Merge branch 'update.setup.env.tools.mpich' into 'master.dev'

Adjusted module scripts for mpich

See merge request piclas/piclas!893

tools/Setup_ModuleEnv/InstallHDF5.sh

@@ -63,16 +63,31 @@ do
   then
     LOADMODULES=0
     # Set desired versions
+
+    # GCC
+    #USECOMPILERVERSION=13.1.0
     USECOMPILERVERSION=13.2.0
-    USEMPIVERSION=4.1.5
+
+    # OpenMPI
+    #MPINAMES='openmpi'
+    #USEMPIVERSION=4.1.5
+
+    # MPICH
+    MPINAMES='mpich'
+    USEMPIVERSION=4.1.2
+
     # Force --rerun via 'set'
     echo ""
-    echo "Running '-m' with GCC $USECOMPILERVERSION and  OpenMPI $USEMPIVERSION"
+    echo "Running '-m' with GCC $USECOMPILERVERSION and $MPINAMES $USEMPIVERSION"
     set -- -rerun
     break
   fi
 done
 
+if [[ $LOADMODULES -eq 1 ]]; then
+  MPINAMES='openmpi mpich'
+fi
+
 NBROFCORES=$(grep ^cpu\\scores /proc/cpuinfo | uniq |  awk '{print $4}')
 INSTALLDIR=/opt
 SOURCESDIR=/opt/sources
@@ -105,7 +120,6 @@ TARFILE=${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!"
@@ -239,7 +253,6 @@ for WHICHCOMPILER in ${COMPILERNAMES}; do
     # ============================================================================================================================================================================
     #--- build hdf5 with mpi
     # ============================================================================================================================================================================
-    MPINAMES='openmpi mpich'
     for WHICHMPI in ${MPINAMES}; do
       echo "${GREEN}    $WHICHMPI ------------------------------------------------------------------------------${NC}"
       if [ ! -d "${INSTALLDIR}/modules/modulefiles/libraries/hdf5/${HDF5VERSION}/${WHICHCOMPILER}/${COMPILERVERSION}/${WHICHMPI}" ]; then

tools/Setup_ModuleEnv/InstallHOPR.sh

@@ -79,6 +79,8 @@ load_module () {
 # Check command line arguments
 RERUNMODE=0
 LOADMODULES=1
+# default to openmpi
+WHICHMPI='openmpi'
 for ARG in "$@"
 do
 
@@ -113,7 +115,22 @@ do
     #OPENMPIVERSION=4.0.2
     #OPENMPIVERSION=3.1.6
     #OPENMPIVERSION=4.1.1
-    OPENMPIVERSION=4.1.5
+    #OPENMPIVERSION=4.1.5
+
+    MPICHVERSION=4.1.2
+
+    # chose which mpi you want to have installed (openmpi or mpich), default is openmpi
+    if [[ -n ${MPICHVERSION} ]]; then
+      WHICHMPI='mpich'
+      MPIVERSION=${MPICHVERSION}
+    else
+      if [[ -z ${OPENMPIVERSION} ]]; then
+        echo "${RED}ERROR: Set either OPENMPIVERSION or MPICHVERSION in InstallPETSc.sh when running with '-m'${NC}. Exit."
+        exit
+      else
+        MPIVERSION=${OPENMPIVERSION}
+      fi
+    fi
 
     #HDF5VERSION=1.10.5
     #HDF5VERSION=1.10.6
@@ -160,14 +177,14 @@ if [[ -n $(module purge 2>&1) ]]; then
   exit
 fi
 
-# take the first gcc compiler installed with first compatible openmpi and hdf5
+# take the first gcc compiler installed with first compatible openmpi/mpich and hdf5
 echo " "
 if [[ $LOADMODULES -eq 1 ]]; then
   CMAKEVERSION=$(ls ${MODULESDIR}/utilities/cmake/ | sed 's/ /\n/g' | grep -i "[0-9]\." | head -n 1 | tail -n 1)
   GCCVERSION=$(ls ${MODULESDIR}/compilers/gcc/ | sed 's/ /\n/g' | grep -i "[0-9]\." | head -n 1 | tail -n 1)
-  OPENMPIVERSION=$(ls ${MODULESDIR}/MPI/openmpi/ | sed 's/ /\n/g' | grep -i "[0-9]\." | head -n 1 | tail -n 1)
+  MPIVERSION=$(ls ${MODULESDIR}/MPI/${WHICHMPI}/ | sed 's/ /\n/g' | grep -i "[0-9]\." | head -n 1 | tail -n 1)
   HDF5VERSION=$(ls ${MODULESDIR}/libraries/hdf5/ | sed 's/ /\n/g' | grep -i "[0-9]\." | head -n 1 | tail -n 1)
-  echo -e "Modules found automatically.\n\nCMAKEVERSION=${CMAKEVERSION}\nGCCVERSION=${GCCVERSION}\nOPENMPIVERSION=${OPENMPIVERSION}\nHDF5VERSION=${HDF5VERSION}\n\nWARNING: The combination might not be possible!"
+  echo -e "Modules found automatically.\n\nCMAKEVERSION=${CMAKEVERSION}\nGCCVERSION=${GCCVERSION}\n${WHICHMPI}-MPIVERSION=${MPIVERSION}\nHDF5VERSION=${HDF5VERSION}\n\nWARNING: The combination might not be possible!"
   if [[ ${RERUNMODE} -eq 0 ]]; then
     read -p "Press [Enter] to continue or [Crtl+c] to abort!"
   fi
@@ -176,11 +193,11 @@ else
 fi
 
 check_module "cmake" "${CMAKEVERSION}"
-check_module "gcc  " "${GCCVERSION}"
-check_module "mpi  " "${OPENMPIVERSION}"
-check_module "hdf5 " "${HDF5VERSION}"
+check_module "gcc" "${GCCVERSION}"
+check_module "${WHICHMPI}" "${MPIVERSION}"
+check_module "hdf5" "${HDF5VERSION}"
 
-HOPRMODULEFILEDIR=${MODULESDIR}/utilities/hopr/${HOPRVERSION}/gcc/${GCCVERSION}/openmpi/${OPENMPIVERSION}/hdf5
+HOPRMODULEFILEDIR=${MODULESDIR}/utilities/hopr/${HOPRVERSION}/gcc/${GCCVERSION}/${WHICHMPI}/${MPIVERSION}/hdf5
 MODULEFILE=${HOPRMODULEFILEDIR}/${HDF5VERSION}
 
 # if no HOPR module for this compiler found, install HOPR and create module
@@ -191,8 +208,8 @@ if [ ! -e "${MODULEFILE}" ]; then
   module purge
   load_module "cmake/${CMAKEVERSION}"
   load_module "gcc/${GCCVERSION}"
-  load_module "openmpi/${OPENMPIVERSION}/gcc/${GCCVERSION}"
-  load_module "hdf5/${HDF5VERSION}/gcc/${GCCVERSION}/openmpi/${OPENMPIVERSION}"
+  load_module "${WHICHMPI}/${MPIVERSION}/gcc/${GCCVERSION}"
+  load_module "hdf5/${HDF5VERSION}/gcc/${GCCVERSION}/${WHICHMPI}/${MPIVERSION}"
   module list
   echo " "
   echo -e "$GREEN""Important: If the compilation step fails, run the script again and if it still fails \n1) try compiling single, .i.e., remove -j from make -j or \n2) try make -j 2 (not all available threads)$NC"
@@ -203,7 +220,7 @@ if [ ! -e "${MODULEFILE}" ]; then
   fi
 
   # Install destination
-  HOPRINSTALLDIR=/opt/hopr/${HOPRVERSION}/gcc-${GCCVERSION}/openmpi-${OPENMPIVERSION}/hdf5-${HDF5VERSION}
+  HOPRINSTALLDIR=/opt/hopr/${HOPRVERSION}/gcc-${GCCVERSION}/${WHICHMPI}-${MPIVERSION}/hdf5-${HDF5VERSION}
 
   # Create and change to install directory
   mkdir -p ${HOPRINSTALLDIR}
@@ -309,9 +326,10 @@ if [ ! -e "${MODULEFILE}" ]; then
     sed -i 's/hoprversion/'${HOPRVERSION}'/gI' ${MODULEFILE}
     sed -i 's/CMAKEVERSIONFLAG/'${CMAKEVERSION}'/gI' ${MODULEFILE}
     sed -i 's/GCCVERSIONFLAG/'${GCCVERSION}'/gI' ${MODULEFILE}
-    sed -i 's/MPIVERSIONFLAG/'${OPENMPIVERSION}'/gI' ${MODULEFILE}
+    sed -i 's/MPIVERSIONFLAG/'${MPIVERSION}'/gI' ${MODULEFILE}
     sed -i 's/HDF5VERSIONFLAG/'${HDF5VERSION}'/gI' ${MODULEFILE}
     sed -i 's\HOPRTOPDIR\'${HOPRBUILDDIR}'\gI' ${MODULEFILE}
+    sed -i 's\HOPRWHICHMPI\'${WHICHMPI}'\gI' ${MODULEFILE}
   else
     echo -e "$RED""No module file created for HOPR-${HOPRVERSION} for GCC-${GCCVERSION}$NC"
     echo -e "$RED""no installation found in ${HOPRBUILDDIR}/bin$NC"

tools/Setup_ModuleEnv/InstallMPIallCOMPILERS.sh

@@ -46,7 +46,8 @@ fi
 # --------------------------------------------------------------------------------------------------
 NBROFCORES=$(grep ^cpu\\scores /proc/cpuinfo | uniq |  awk '{print $4}')
 # chose which mpi you want to have installed (openmpi or mpich)
-WHICHMPI=openmpi
+#WHICHMPI=openmpi
+WHICHMPI=mpich
 # choose for which compilers mpi is build (gcc or intel)
 WHICHCOMPILER=gcc
 
@@ -72,7 +73,8 @@ if [ "${WHICHMPI}" == "openmpi" ]; then
   MPIVERSION=4.1.5
 elif [ "${WHICHMPI}" == "mpich" ]; then
   # DOWNLOAD and INSTALL MPICH (example mpich-3.2.0)
-  MPIVERSION=3.2
+  #MPIVERSION=3.2
+  MPIVERSION=4.1.2
 else
   echo -e "${RED}ERROR: Setting is neither 'openmpi' nor 'mpich'${NC}"
   echo -e "${RED}ERROR: no mpi installed will be installed. Exit.${NC}"
@@ -189,7 +191,7 @@ if [ "${WHICHCOMPILER}" == "gcc" ] || [ "${WHICHCOMPILER}" == "intel" ]; then
       # Change to build directory
       cd ${BUILDDIR}
 
-      # Configure setup
+      # Configure setup for openmpi or mpich using the same command
       if [ "${WHICHCOMPILER}" == "gcc" ]; then
         ../configure --prefix=${MPIINSTALLDIR}/${WHICHCOMPILER}/${COMPILERVERSION} CC=$(which gcc) CXX=$(which g++) FC=$(which gfortran)
       elif [ "${WHICHCOMPILER}" == "intel" ]; then
@@ -208,7 +210,7 @@ if [ "${WHICHCOMPILER}" == "gcc" ] || [ "${WHICHCOMPILER}" == "intel" ]; then
         make install 2>&1 | tee install.out
       fi
 
-      # Create modulefile if installation seems successful (check if mpicc, mpicxx, mpifort exists in installdir)
+      # Create module file if installation seems to have been successful (check if mpicc, mpicxx, mpifort exists in installdir)
       if [ -e "${MPIINSTALLDIR}/${WHICHCOMPILER}/${COMPILERVERSION}/bin/mpicc" ] && [ -e "${MPIINSTALLDIR}/${WHICHCOMPILER}/${COMPILERVERSION}/bin/mpicxx" ] && [ -e "${MPIINSTALLDIR}/${WHICHCOMPILER}/${COMPILERVERSION}/bin/mpifort" ]; then
         if [ ! -d "${MPIMODULEFILEDIR}" ]; then
           mkdir -p ${MPIMODULEFILEDIR}

tools/Setup_ModuleEnv/InstallPETSc.sh

@@ -73,6 +73,8 @@ load_module () {
 # Check command line arguments
 RERUNMODE=0
 LOADMODULES=1
+# default to openmpi
+WHICHMPI='openmpi'
 for ARG in "$@"
 do
 
@@ -96,6 +98,7 @@ do
     #CMAKEVERSION=3.17.0-d
     #CMAKEVERSION=3.20.3
     #CMAKEVERSION=3.21.3
+    #CMAKEVERSION=3.24.2
     CMAKEVERSION=3.26.4
 
     #GCCVERSION=9.2.0
@@ -113,7 +116,22 @@ do
     #OPENMPIVERSION=3.1.6
     #OPENMPIVERSION=4.1.1
     #OPENMPIVERSION=4.1.4
-    OPENMPIVERSION=4.1.5
+    #OPENMPIVERSION=4.1.5
+
+    MPICHVERSION=4.1.2
+
+    # chose which mpi you want to have installed (openmpi or mpich), default is openmpi
+    if [[ -n ${MPICHVERSION} ]]; then
+      WHICHMPI='mpich'
+      MPIVERSION=${MPICHVERSION}
+    else
+      if [[ -z ${OPENMPIVERSION} ]]; then
+        echo "${RED}ERROR: Set either OPENMPIVERSION or MPICHVERSION in InstallPETSc.sh when running with '-m'${NC}. Exit."
+        exit
+      else
+        MPIVERSION=${OPENMPIVERSION}
+      fi
+    fi
 
   fi
 
@@ -124,9 +142,6 @@ do
 
 done
 
-# chose which mpi you want to have installed (openmpi or mpich), default is openmpi
-WHICHMPI=openmpi
-
 # DOWNLOAD and INSTALL PETSc (example PETSc-3.17.0)
 #PETSCVERSION=3.17.0
 #PETSCVERSION=3.18.4
@@ -174,13 +189,13 @@ if [[ -n $(module purge 2>&1) ]]; then
   exit
 fi
 
-# take the first gcc compiler installed with first compatible openmpi
+# take the first gcc compiler installed with first compatible openmpi or mpich
 echo " "
 if [[ $LOADMODULES -eq 1 ]]; then
   CMAKEVERSION=$(ls ${MODULESDIR}/utilities/cmake/ | sed 's/ /\n/g' | grep -i "[0-9]\." | head -n 1 | tail -n 1)
   GCCVERSION=$(ls ${MODULESDIR}/compilers/gcc/ | sed 's/ /\n/g' | grep -i "[0-9]\." | head -n 1 | tail -n 1)
-  OPENMPIVERSION=$(ls ${MODULESDIR}/MPI/openmpi/ | sed 's/ /\n/g' | grep -i "[0-9]\." | head -n 1 | tail -n 1)
-  echo -e "Modules found automatically.\n\nCMAKEVERSION=${CMAKEVERSION}\nGCCVERSION=${GCCVERSION}\nOPENMPIVERSION=${OPENMPIVERSION}\n\nWARNING: The combination might not be possible!"
+  MPIVERSION=$(ls ${MODULESDIR}/MPI/${WHICHMPI}/ | sed 's/ /\n/g' | grep -i "[0-9]\." | head -n 1 | tail -n 1)
+  echo -e "Modules found automatically.\n\nCMAKEVERSION=${CMAKEVERSION}\nGCCVERSION=${GCCVERSION}\n${WHICHMPI}-MPIVERSION=${MPIVERSION}\n\nWARNING: The combination might not be possible!"
   if [[ ${RERUNMODE} -eq 0 ]]; then
     read -p "Press [Enter] to continue or [Crtl+c] to abort!"
   fi
@@ -189,11 +204,11 @@ else
 fi
 
 check_module "cmake" "${CMAKEVERSION}"
-check_module "gcc  " "${GCCVERSION}"
-check_module "mpi  " "${OPENMPIVERSION}"
+check_module "gcc" "${GCCVERSION}"
+check_module "${WHICHMPI}" "${MPIVERSION}"
 
-PETSCMODULEFILEDIR=${MODULESDIR}/utilities/petsc/${PETSCVERSION}${DEBUGDIR}/gcc/${GCCVERSION}/openmpi
-MODULEFILE=${PETSCMODULEFILEDIR}/${OPENMPIVERSION}
+PETSCMODULEFILEDIR=${MODULESDIR}/utilities/petsc/${PETSCVERSION}${DEBUGDIR}/gcc/${GCCVERSION}/${WHICHMPI}
+MODULEFILE=${PETSCMODULEFILEDIR}/${MPIVERSION}
 
 # if no PETSc module for this compiler found, install PETSc and create module
 if [ ! -e "${MODULEFILE}" ]; then
@@ -203,7 +218,7 @@ if [ ! -e "${MODULEFILE}" ]; then
   module purge
   load_module "cmake/${CMAKEVERSION}"
   load_module "gcc/${GCCVERSION}"
-  load_module "openmpi/${OPENMPIVERSION}/gcc/${GCCVERSION}"
+  load_module "${WHICHMPI}/${MPIVERSION}/gcc/${GCCVERSION}"
   module list
   echo " "
   echo -e "$GREEN""Important: If the compilation step fails, run the script again and if it still fails \n1) try compiling single, .i.e., remove -j from make -j or \n2) try make -j 2 (not all available threads)$NC"
@@ -214,7 +229,7 @@ if [ ! -e "${MODULEFILE}" ]; then
   fi
 
   # Install destination
-  PETSCINSTALLDIR=/opt/petsc/${PETSCVERSION}${DEBUGDIR}/gcc-${GCCVERSION}/openmpi-${OPENMPIVERSION}
+  PETSCINSTALLDIR=/opt/petsc/${PETSCVERSION}${DEBUGDIR}/gcc-${GCCVERSION}/${WHICHMPI}-${MPIVERSION}
 
   # Change to sources directors
   cd ${SOURCESDIR}
@@ -226,7 +241,7 @@ if [ ! -e "${MODULEFILE}" ]; then
     while true; do
       echo " "
       echo "${YELLOW}${CLONEDIR} already exists.${NC}"
-      echo "${YELLOW}Do you want to continue the installation (y/n)?${NC}"
+      echo "${YELLOW}Do you want to continue the installation with the existing files under ${CLONEDIR} (y/n)?${NC}"
       # Inquiry
       if [[ ${RERUNMODE} -eq 0 ]]; then
         read -p "${YELLOW}Otherwise the directory will be removed and a fresh installation will be performed. [Y/n]${NC}" yn
@@ -277,7 +292,7 @@ if [ ! -e "${MODULEFILE}" ]; then
   fi
 
   # Configure
-  MPIINSTALLDIR=${INSTALLDIR}/${WHICHMPI}/${OPENMPIVERSION}/gcc/${GCCVERSION}
+  MPIINSTALLDIR=${INSTALLDIR}/${WHICHMPI}/${MPIVERSION}/gcc/${GCCVERSION}
   if [[ ! -d ${MPIINSTALLDIR} ]]; then
     echo -e "$RED""Failed: Cannot find MPI directory ${MPIINSTALLDIR}$NC"
     exit
@@ -332,8 +347,9 @@ if [ ! -e "${MODULEFILE}" ]; then
     sed -i 's/petscversion/'${PETSCVERSION}'/gI' ${MODULEFILE}
     sed -i 's/CMAKEVERSIONFLAG/'${CMAKEVERSION}'/gI' ${MODULEFILE}
     sed -i 's/GCCVERSIONFLAG/'${GCCVERSION}'/gI' ${MODULEFILE}
-    sed -i 's/MPIVERSIONFLAG/'${OPENMPIVERSION}'/gI' ${MODULEFILE}
+    sed -i 's/MPIVERSIONFLAG/'${MPIVERSION}'/gI' ${MODULEFILE}
     sed -i 's\PETSCTOPDIR\'${PETSCINSTALLDIR}'\gI' ${MODULEFILE}
+    sed -i 's\PETSCWHICHMPI\'${WHICHMPI}'\gI' ${MODULEFILE}
   else
     echo -e "$RED""No module file created for PETSc-${PETSCVERSION} for GCC-${GCCVERSION}$NC"
     echo -e "$RED""no installation found in ${PETSCINSTALLDIR}/include$NC"

tools/Setup_ModuleEnv/moduletemplates/utilities/hopr/hopr_temp

@@ -15,8 +15,8 @@ module-whatis   "Sets the environment for using hopr-hoprversion"
 conflict hopr
 
 prereq gcc/GCCVERSIONFLAG
-prereq openmpi/MPIVERSIONFLAG/gcc/GCCVERSIONFLAG
-prereq hdf5/HDF5VERSIONFLAG/gcc/GCCVERSIONFLAG/openmpi/MPIVERSIONFLAG
+prereq HOPRWHICHMPI/MPIVERSIONFLAG/gcc/GCCVERSIONFLAG
+prereq hdf5/HDF5VERSIONFLAG/gcc/GCCVERSIONFLAG/HOPRWHICHMPI/MPIVERSIONFLAG
 
 # for Tcl script use only
 set     topdir          HOPRTOPDIR

tools/Setup_ModuleEnv/moduletemplates/utilities/petsc/petsc_temp

@@ -15,7 +15,7 @@ module-whatis   "Sets the environment for using petsc-petscversion"
 conflict petsc
 
 prereq gcc/GCCVERSIONFLAG
-prereq openmpi/MPIVERSIONFLAG/gcc/GCCVERSIONFLAG
+prereq PETSCWHICHMPI/MPIVERSIONFLAG/gcc/GCCVERSIONFLAG
 
 # for Tcl script use only
 set     topdir          PETSCTOPDIR