Merge branch 'Marc2023.1' into 'development'

Marc2023.1

See merge request damask/DAMASK!786

.gitlab-ci.yml

@@ -47,7 +47,7 @@ variables:
  PETSC_INTELLLVM: "Libraries/PETSc/3.16.3/oneAPI-2022.0.1-IntelMPI-2021.5.0"
  PETSC_INTEL: "Libraries/PETSc/3.16.5/Intel-2022.0.1-IntelMPI-2021.5.0"
  # ++++++++++++ MSC Marc +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
- MSC: "FEM/MSC/2022.4"
+ MSC: "FEM/MSC/2023.1"
  IntelMarc: "Compiler/Intel/19.1.2 Libraries/IMKL/2020"
  HDF5Marc: "HDF5/1.12.2/Intel-19.1.2"
 

install/MarcMentat/2023.1/Marc_tools/comp_damask_hmp.patch

@@ -0,0 +1,49 @@
+---
++++
+@@ -6,18 +6,27 @@
+ DIR=$1
+ user=$3
+ program=$4
++usernoext=$user
++usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
++usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
++usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
++usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
++
++# add BLAS options for linking
++ BLAS="%BLAS%"
++
+ . $DIR/tools/include
+ DIRJOB=$2
+ cd $DIRJOB
+-echo "Compiling and linking user subroutine $user.f on host `hostname`"
++echo "Compiling and linking user subroutine $user on host `hostname`"
+ echo "program: $program"
+- $FORTRAN $user.f || \
++ $DFORTHIGHMP $user || \
+ {
+- echo "$0: compile failed for $user.f"
++ echo "$0: compile failed for $user"
+ exit 1
+ }
+ /bin/rm $program 2>/dev/null
+- userobj=$user.o
++ userobj=$usernoext.o
+
+
+ $LOAD ${program} $DIR/lib/main.o\
+@@ -33,9 +42,13 @@
+ $TKLIBS \
+ $MRCLIBS \
+ $METISLIBS \
++ $BLAS \
+ $SYSLIBS || \
+ {
+- echo "$0: link failed for $user.o on host `hostname`"
++ echo "$0: link failed for $usernoext.o on host `hostname`"
+ exit 1
+ }
+ /bin/rm $userobj
++ /bin/rm $DIRJOB/*.mod
++ /bin/rm $DIRJOB/*.smod
++ /bin/rm $DIRJOB/*_genmod.f90

install/MarcMentat/2023.1/Marc_tools/comp_damask_lmp.patch

@@ -0,0 +1,49 @@
+---
++++
+@@ -6,18 +6,27 @@
+ DIR=$1
+ user=$3
+ program=$4
++usernoext=$user
++usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
++usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
++usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
++usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
++
++# add BLAS options for linking
++ BLAS="%BLAS%"
++
+ . $DIR/tools/include
+ DIRJOB=$2
+ cd $DIRJOB
+-echo "Compiling and linking user subroutine $user.f on host `hostname`"
++echo "Compiling and linking user subroutine $user on host `hostname`"
+ echo "program: $program"
+- $FORTRAN $user.f || \
++ $DFORTRANLOWMP $user || \
+ {
+- echo "$0: compile failed for $user.f"
++ echo "$0: compile failed for $user"
+ exit 1
+ }
+ /bin/rm $program 2>/dev/null
+- userobj=$user.o
++ userobj=$usernoext.o
+
+
+ $LOAD ${program} $DIR/lib/main.o\
+@@ -33,9 +42,13 @@
+ $TKLIBS \
+ $MRCLIBS \
+ $METISLIBS \
++ $BLAS \
+ $SYSLIBS || \
+ {
+- echo "$0: link failed for $user.o on host `hostname`"
++ echo "$0: link failed for $usernoext.o on host `hostname`"
+ exit 1
+ }
+ /bin/rm $userobj
++ /bin/rm $DIRJOB/*.mod
++ /bin/rm $DIRJOB/*.smod
++ /bin/rm $DIRJOB/*_genmod.f90

install/MarcMentat/2023.1/Marc_tools/comp_damask_mp.patch

@@ -0,0 +1,49 @@
+---
++++
+@@ -6,18 +6,27 @@
+ DIR=$1
+ user=$3
+ program=$4
++usernoext=$user
++usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
++usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
++usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
++usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
++
++# add BLAS options for linking
++ BLAS="%BLAS%"
++
+ . $DIR/tools/include
+ DIRJOB=$2
+ cd $DIRJOB
+-echo "Compiling and linking user subroutine $user.f on host `hostname`"
++echo "Compiling and linking user subroutine $user on host `hostname`"
+ echo "program: $program"
+- $FORTRAN $user.f || \
++ $DFORTRANMP $user || \
+ {
+- echo "$0: compile failed for $user.f"
++ echo "$0: compile failed for $user"
+ exit 1
+ }
+ /bin/rm $program 2>/dev/null
+- userobj=$user.o
++ userobj=$usernoext.o
+
+
+ $LOAD ${program} $DIR/lib/main.o\
+@@ -33,9 +42,13 @@
+ $TKLIBS \
+ $MRCLIBS \
+ $METISLIBS \
++ $BLAS \
+ $SYSLIBS || \
+ {
+- echo "$0: link failed for $user.o on host `hostname`"
++ echo "$0: link failed for $usernoext.o on host `hostname`"
+ exit 1
+ }
+ /bin/rm $userobj
++ /bin/rm $DIRJOB/*.mod
++ /bin/rm $DIRJOB/*.smod
++ /bin/rm $DIRJOB/*_genmod.f90

install/MarcMentat/2023.1/Marc_tools/include_linux64.patch

@@ -0,0 +1,75 @@
+---
++++
+@@ -172,6 +178,15 @@
+ MARC_COSIM_LIB="$MSCCOSIM_HOME/CoSim$MSCCOSIM_VERSION/Dcosim$MSCCOSIM_VERSION/lib"
+ fi
+
++# DAMASK uses the HDF5 compiler wrapper around the Intel compiler
++H5FC=$(h5fc -shlib -show)
++if [[ "$H5FC" == *"$dir is"* ]]; then
++ H5FC=$(echo $(echo "$H5FC" | tail -n1) | sed -e "s/\-shlib/-fPIC -qopenmp/g")
++ H5FC=${H5FC%-lmpifort*}
++fi
++HDF5_LIB=${H5FC//*ifort/}
++FCOMP="$H5FC"
++
+ # AEM
+ if test "$MARCDLLOUTDIR" = ""; then
+ DLLOUTDIR="$MARC_LIB"
+@@ -604,7 +613,7 @@
+ PROFILE=" $PROFILE -pg"
+ fi
+
+-FORT_OPT="-c -assume byterecl -safe-cray-ptr -mp1 -WB -fp-model source"
++FORT_OPT="-c -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe-cray-ptr -mp1 -WB -fp-model source"
+ if test "$MTHREAD" = "OPENMP"
+ then
+ FORT_OPT=" $FORT_OPT -qopenmp"
+@@ -617,7 +626,7 @@
+ FORT_OPT=" $FORT_OPT -save -zero"
+ fi
+ if test "$MARCHDF_HDF" = "HDF"; then
+- FORT_OPT="$FORT_OPT -DMARCHDF_HDF=$MARCHDF_HDF $HDF_INCLUDE"
++ FORT_OPT="$FORT_OPT -DMARCHDF=$MARCHDF_HDF"
+ fi
+
+ FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
+@@ -631,6 +640,29 @@
+ # for compiling free form f90 files. high opt, integer(4)
+ FORTF90="$FCOMP -c -O3"
+
++# determine DAMASK version
++if test -n "$DAMASK_USER"; then
++ DAMASKROOT=`dirname $DAMASK_USER`/../..
++ read DAMASKVERSION < $DAMASKROOT/VERSION
++ DAMASKVERSION="'"$DAMASKVERSION"'"
++else
++ DAMASKVERSION="'N/A'"
++fi
++
++# DAMASK compiler calls
++DFORTLOWMP="$FCOMP -c -O0 -qno-offload -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe-cray-ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
++ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMARC4DAMASK=2023.1 -DDAMASKVERSION=$DAMASKVERSION \
++ -qopenmp -qopenmp-threadprivate=compat\
++ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD -I$MARC_MOD"
++DFORTRANMP="$FCOMP -c -O1 -qno-offload -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe-cray-ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
++ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMARC4DAMASK=2023.1 -DDAMASKVERSION=$DAMASKVERSION \
++ -qopenmp -qopenmp-threadprivate=compat\
++ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD -I$MARC_MOD"
++DFORTHIGHMP="$FCOMP -c -O3 -qno-offload -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe-cray-ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
++ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMARC4DAMASK=2023.1 -DDAMASKVERSION=$DAMASKVERSION \
++ -qopenmp -qopenmp-threadprivate=compat\
++ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD -I$MARC_MOD"
++
+ if test "$MARCDEBUG" = "ON"
+ then
+ FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
+@@ -788,7 +820,7 @@
+
+ SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \
+ -L$MARC_MKL \
+- $MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/libkdtree2.a $MARC_LIB/libtetmeshinterface.a $MARC_LIB/libcaefatigueinterface.a -L$MARC_LIB -lmkl_blacs_intelmpi_ilp64 -lmkl_scalapack_ilp64 -lmkl_intel_ilp64 -lmkl_intel_thread -lmkl_core -liomp5 -ltetmesh -lmeshgems -lmg-tetra -lmeshgems_stubs -lmg-hybrid -lmg-cadsurf -lmg-hexa $HDF_LIBS $SOLVER2LIBS"
++ $MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/libkdtree2.a $MARC_LIB/libtetmeshinterface.a $MARC_LIB/libcaefatigueinterface.a -L$MARC_LIB -lmkl_blacs_intelmpi_ilp64 -lmkl_scalapack_ilp64 -lmkl_intel_ilp64 -lmkl_intel_thread -lmkl_core -liomp5 -ltetmesh -lmeshgems -lmg-tetra -lmeshgems_stubs -lmg-hybrid -lmg-cadsurf -lmg-hexa $HDF5_LIB $SOLVER2LIBS"
+
+ SOLVERLIBS_DLL=${SOLVERLIBS}
+ if test "$AEM_DLL" -eq 1