Version 5.2.0, Revision 23950, Hash 679093e

MODIFIED * config/m4/gpu.m4 config/setup.in configure include/version/version.m4 lib/petsc/Makefile.loc lib/slepc/Makefile.loc bse/K_stored_in_a_nest_matrix.F bse/K_stored_in_a_slepc_matrix.F Changes: - [yambo] Small changes to slepc gpu porting related coding Patch sent by: Davide Sangalli <[email protected]>
yambo-code · Dec 11, 2024 · 04bbd27 · 04bbd27
1 parent 679093e
commit 04bbd27
Show file tree

Hide file tree

Showing 8 changed files with 44 additions and 23 deletions.
diff --git a/config/m4/gpu.m4 b/config/m4/gpu.m4
@@ -194,6 +194,7 @@ if test x"$enable_cuda_fortran" != "xno" ; then
    # Flags to be passed to the devicexlib library
    #
    DEVXLIB_FLAGS="--enable-openmp --enable-cuda-fortran --with-cuda-cc=${with_cuda_cc} --with-cuda-runtime=${with_cuda_runtime}"
+   PETSC_FLAGS="--with-cuda"
    #
    case "${FCVERSION}" in
     *nvfortran*)
@@ -295,6 +296,7 @@ AC_SUBST(GPU_LIBS)
 AC_SUBST(GPU_INCS)
 AC_SUBST(DEVXLIB_FLAGS)
 AC_SUBST(DEVXLIB_CUDALIBS)
+AC_SUBST(PETSC_FLAGS)
 AC_SUBST(LIBROCM_LIBS)
 AC_SUBST(LIBROCM_INCS)
 AC_SUBST(LIBROCM_PATH)

diff --git a/config/setup.in b/config/setup.in
@@ -52,6 +52,7 @@ lblas       = @BLAS_LIBS@
 llapack     = @LAPACK_LIBS@
 lblaspetsc  = @BLAS_PETSC_LIBS@
 llapackpetsc= @LAPACK_PETSC_LIBS@
+petsc_flgs  = @PETSC_FLAGS@
 lblacs      = @BLACS_LIBS@
 lscalapack  = @SCALAPACK_LIBS@
 lslepc      = @SLEPC_LIBS@

diff --git a/configure b/configure
@@ -1,6 +1,6 @@
 #! /bin/sh
 # Guess values for system-dependent variables and create Makefiles.
-# Generated by GNU Autoconf 2.71 for Yambo 5.2.0 r.23884 h.24d60eb8ca.
+# Generated by GNU Autoconf 2.71 for Yambo 5.2.0 r.23950 h.679093ec7f.
 #
 # Report bugs to <[email protected]>.
 #
@@ -610,8 +610,8 @@ MAKEFLAGS=
 # Identity of this package.
 PACKAGE_NAME='Yambo'
 PACKAGE_TARNAME='yambo'
-PACKAGE_VERSION='5.2.0 r.23884 h.24d60eb8ca'
-PACKAGE_STRING='Yambo 5.2.0 r.23884 h.24d60eb8ca'
+PACKAGE_VERSION='5.2.0 r.23950 h.679093ec7f'
+PACKAGE_STRING='Yambo 5.2.0 r.23950 h.679093ec7f'
 PACKAGE_BUGREPORT='[email protected]'
 PACKAGE_URL=''
 
@@ -696,6 +696,8 @@ DEVXLIB_check
 LIBXC_check
 YPY_check
 YDB_check
+SLEPC_info
+PETSC_info
 SLEPC_check
 PETSC_check
 SLK_check
@@ -730,6 +732,7 @@ MKLGPU_LIBS
 LIBROCM_PATH
 LIBROCM_INCS
 LIBROCM_LIBS
+PETSC_FLAGS
 DEVXLIB_CUDALIBS
 DEVXLIB_FLAGS
 GPU_INCS
@@ -1659,7 +1662,7 @@ if test "$ac_init_help" = "long"; then
   # Omit some internal or obsolete options to make the list less imposing.
   # This message is too long to be a string in the A/UX 3.1 sh.
   cat <<_ACEOF
-\`configure' configures Yambo 5.2.0 r.23884 h.24d60eb8ca to adapt to many kinds of systems.
+\`configure' configures Yambo 5.2.0 r.23950 h.679093ec7f to adapt to many kinds of systems.
 
 Usage: $0 [OPTION]... [VAR=VALUE]...
 
@@ -1725,7 +1728,7 @@ fi
 
 if test -n "$ac_init_help"; then
   case $ac_init_help in
-     short | recursive ) echo "Configuration of Yambo 5.2.0 r.23884 h.24d60eb8ca:";;
+     short | recursive ) echo "Configuration of Yambo 5.2.0 r.23950 h.679093ec7f:";;
    esac
   cat <<\_ACEOF
 
@@ -1967,7 +1970,7 @@ fi
 test -n "$ac_init_help" && exit $ac_status
 if $ac_init_version; then
   cat <<\_ACEOF
-Yambo configure 5.2.0 r.23884 h.24d60eb8ca
+Yambo configure 5.2.0 r.23950 h.679093ec7f
 generated by GNU Autoconf 2.71
 
 Copyright (C) 2021 Free Software Foundation, Inc.
@@ -2596,7 +2599,7 @@ cat >config.log <<_ACEOF
 This file contains any messages produced by compilers while
 running configure, to aid debugging if configure makes a mistake.
 
-It was created by Yambo $as_me 5.2.0 r.23884 h.24d60eb8ca, which was
+It was created by Yambo $as_me 5.2.0 r.23950 h.679093ec7f, which was
 generated by GNU Autoconf 2.71.  Invocation command line was
 
   $ $0$ac_configure_args_raw
@@ -3354,8 +3357,8 @@ ac_compiler_gnu=$ac_cv_c_compiler_gnu
 SVERSION="5"
 SSUBVERSION="2"
 SPATCHLEVEL="0"
-SREVISION="23884"
-SHASH="24d60eb8ca"
+SREVISION="23950"
+SHASH="679093ec7f"
 
 
 
@@ -16191,6 +16194,7 @@ if test x"$enable_cuda_fortran" != "xno" ; then
    # Flags to be passed to the devicexlib library
    #
    DEVXLIB_FLAGS="--enable-openmp --enable-cuda-fortran --with-cuda-cc=${with_cuda_cc} --with-cuda-runtime=${with_cuda_runtime}"
+   PETSC_FLAGS="--with-cuda"
    #
    case "${FCVERSION}" in
     *nvfortran*)
@@ -16390,6 +16394,7 @@ fi
 
 
 
+
 #
 
 # ============================================================================
@@ -16716,19 +16721,21 @@ if test "$internal_blacs" = "yes" ; then
 fi
 #
 PETSC_check="-"
+PETSC_info=""
 if test "$internal_petsc" = "yes" ; then
   if test "$compile_petsc" = "yes" ; then PETSC_check="C"; fi
   if test "$compile_petsc" = "no"  ; then PETSC_check="I"; fi
-  if ! test "$with_petsc_branch" = "none"; then PETSC_LIBS="$PETSC_LIBS (git branch $with_petsc_branch)"; fi
+  if ! test "$with_petsc_branch" = "none"; then PETSC_info="(git branch $with_petsc_branch)"; fi
 elif test "$enable_petsc" = "yes" ; then
   PETSC_check="E"
 fi
 #
 SLEPC_check="-"
+SLEPC_info=""
 if test "$internal_slepc" = "yes" ; then
   if test "$compile_slepc" = "yes" ; then SLEPC_check="C"; fi
   if test "$compile_slepc" = "no"  ; then SLEPC_check="I"; fi
-  if ! test "$with_slepc_branch" = "none"; then SLEPC_LIBS="$SLEPC_LIBS (git branch $with_slepc_branch)"; fi
+  if ! test "$with_slepc_branch" = "none"; then SLEPC_info="(git branch $with_slepc_branch)"; fi
 elif test "$enable_slepc" = "yes" ; then
   SLEPC_check="E"
 fi
@@ -16822,6 +16829,8 @@ fi
 
 
 
+
+
 #
 
 
@@ -17780,7 +17789,7 @@ cat >>$CONFIG_STATUS <<\_ACEOF || ac_write_fail=1
 # report actual input values of CONFIG_FILES etc. instead of their
 # values after options handling.
 ac_log="
-This file was extended by Yambo $as_me 5.2.0 r.23884 h.24d60eb8ca, which was
+This file was extended by Yambo $as_me 5.2.0 r.23950 h.679093ec7f, which was
 generated by GNU Autoconf 2.71.  Invocation command line was
 
   CONFIG_FILES    = $CONFIG_FILES
@@ -17844,7 +17853,7 @@ ac_cs_config_escaped=`printf "%s\n" "$ac_cs_config" | sed "s/^ //; s/'/'\\\\\\\\
 cat >>$CONFIG_STATUS <<_ACEOF || ac_write_fail=1
 ac_cs_config='$ac_cs_config_escaped'
 ac_cs_version="\\
-Yambo config.status 5.2.0 r.23884 h.24d60eb8ca
+Yambo config.status 5.2.0 r.23950 h.679093ec7f
 configured by $0, generated by GNU Autoconf 2.71,
   with options \\"\$ac_cs_config\\"
 

diff --git a/include/version/version.m4 b/include/version/version.m4
@@ -1,9 +1,9 @@
-AC_INIT(Yambo, 5.2.0 r.23884 h.24d60eb8ca, [email protected])
+AC_INIT(Yambo, 5.2.0 r.23950 h.679093ec7f, [email protected])
 SVERSION="5"
 SSUBVERSION="2"
 SPATCHLEVEL="0"
-SREVISION="23884"
-SHASH="24d60eb8ca"
+SREVISION="23950"
+SHASH="679093ec7f"
 AC_SUBST(SVERSION)
 AC_SUBST(SSUBVERSION)
 AC_SUBST(SPATCHLEVEL)

diff --git a/lib/petsc/Makefile.loc b/lib/petsc/Makefile.loc
@@ -7,21 +7,22 @@ include ../../config/setup
 include ../archive/package.list
 #
 LIBNAME=libpetsc.a
-LIBPATH=$(libs_prefix)/$(fc_kind)/${fc}/${yprecision}
+LIBPATH=$(libs_prefix)/$(fc_kind)/${fc}/${yprecision} #-${gpu_support}
 LIBRARY=$(LIBPATH)/lib/$(LIBNAME)
 #
 PACKAGE=$(pkgname_petsc)
 TARBALL=$(tarball_petsc)
 #
 include ../config/external_libs_commons.mk
 include ../config/external_libs_defs.mk
+#         FOPTFLAGS="$(fcflags)" COPTFLAGS="$(cflags)" \
 #
 PETSC_ARCH=yambo_${yprecision}_complex
-CONFFLAGS=--prefix="$(LIBPATH)" \
+CONFFLAGS=--prefix="$(LIBPATH)" $(petsc_flgs) \
+         FOPTFLAGS="-O1" COPTFLAGS="-O2" \
          --PETSC_ARCH=${PETSC_ARCH} \
          --with-ssl=0 \
          --with-x=0 \
-         --with-cxx=0 \
          --with-debugging=no \
          --with-shared-libraries=$(spetsc) \
          --with-blaslapack-lib="$(llapackpetsc) $(lblaspetsc)" \

diff --git a/lib/slepc/Makefile.loc b/lib/slepc/Makefile.loc
@@ -7,7 +7,7 @@ include ../../config/setup
 include ../archive/package.list
 #
 LIBNAME=libslepc.a
-LIBPATH=$(libs_prefix)/$(fc_kind)/${fc}/${yprecision}
+LIBPATH=$(libs_prefix)/$(fc_kind)/${fc}/${yprecision} #-${gpu_support}
 LIBRARY=$(LIBPATH)/lib/$(LIBNAME)
 #
 PACKAGE=$(pkgname_slepc)

diff --git a/src/bse/K_stored_in_a_nest_matrix.F b/src/bse/K_stored_in_a_nest_matrix.F
@@ -61,16 +61,20 @@ subroutine K_stored_in_a_nest_matrix(i_BS_mat,iq,slepc_mat)
  call MatCreate(PETSC_COMM_WORLD,R,ierr)
  call MatSetSizes(R,PETSC_DECIDE,PETSC_DECIDE,SL_H_dim/2,SL_H_dim/2,ierr)
  call MatSetType(R,MATDENSE,ierr)
+ if (have_cuda) then
 #if defined(PETSC_HAVE_CUDA)
- if (have_cuda) call MatSetType(R,MATDENSECUDA,ierr)
+   call MatSetType(R,MATDENSECUDA,ierr)
+#else
+   call warning("Yambo has cuda support. Petsc doesn't. Look for a petsc with gpu support")
 #endif
+ endif
  call MatSetFromOptions(R,ierr)
  call MatSetUp(R,ierr)
  !
  call MatCreate(PETSC_COMM_WORLD,C,ierr)
  call MatSetSizes(C,PETSC_DECIDE,PETSC_DECIDE,SL_H_dim/2,SL_H_dim/2,ierr)
  call MatSetType(C,MATDENSE,ierr)
-#ifdef PETSC_HAVE_CUDA
+#if defined(PETSC_HAVE_CUDA)
  if (have_cuda) call MatSetType(C,MATDENSECUDA,ierr)
 #endif
  call MatSetFromOptions(C,ierr)

diff --git a/src/bse/K_stored_in_a_slepc_matrix.F b/src/bse/K_stored_in_a_slepc_matrix.F
@@ -59,9 +59,13 @@ subroutine K_stored_in_a_slepc_matrix(i_BS_mat,iq,slepc_mat)
  call MatSetSizes(slepc_mat,PETSC_DECIDE,PETSC_DECIDE,SL_H_dim,SL_H_dim,ierr)
  call MatSetType(slepc_mat, MATDENSE,ierr)
 
+ if (have_cuda) then
 #if defined(PETSC_HAVE_CUDA)
- if (have_cuda) call MatSetType(slepc_mat,MATDENSECUDA,ierr)
+   call MatSetType(slepc_mat,MATDENSECUDA,ierr)
+#else
+   call warning("Yambo has cuda support. Petsc doesn't. Look for a petsc with gpu support")
 #endif
+ endif
 
  call MatSetUp(slepc_mat,ierr)
  !