From 6a701db2119be48d867129b13f2062431ce7d9c6 Mon Sep 17 00:00:00 2001 From: Franz Roters Date: Wed, 23 Nov 2022 17:20:35 +0100 Subject: [PATCH 1/5] support Marc 2022.3 --- .../2022.3/Marc_tools/comp_damask_hmp.patch | 49 ++ .../2022.3/Marc_tools/comp_damask_lmp.patch | 49 ++ .../2022.3/Marc_tools/comp_damask_mp.patch | 49 ++ .../2022.3/Marc_tools/include_linux64.patch | 75 +++ .../2022.3/Marc_tools/run_damask_hmp.patch | 517 ++++++++++++++++++ .../2022.3/Marc_tools/run_damask_lmp.patch | 517 ++++++++++++++++++ .../2022.3/Marc_tools/run_damask_mp.patch | 517 ++++++++++++++++++ .../2022.3/Mentat_bin/edit_window.patch | 24 + .../MarcMentat/2022.3/Mentat_bin/kill4.patch | 0 .../MarcMentat/2022.3/Mentat_bin/kill5.patch | 0 .../MarcMentat/2022.3/Mentat_bin/kill6.patch | 0 .../2022.3/Mentat_bin/submit4.patch | 38 ++ .../2022.3/Mentat_bin/submit5.patch | 38 ++ .../2022.3/Mentat_bin/submit6.patch | 38 ++ .../2022.3/Mentat_menus/job_run.ms.patch | 158 ++++++ src/Marc/include/concom2022.3 | 466 ++++++++++++++++ src/Marc/include/creeps2022.3 | 73 +++ 17 files changed, 2608 insertions(+) create mode 100644 install/MarcMentat/2022.3/Marc_tools/comp_damask_hmp.patch create mode 100644 install/MarcMentat/2022.3/Marc_tools/comp_damask_lmp.patch create mode 100644 install/MarcMentat/2022.3/Marc_tools/comp_damask_mp.patch create mode 100644 install/MarcMentat/2022.3/Marc_tools/include_linux64.patch create mode 100644 install/MarcMentat/2022.3/Marc_tools/run_damask_hmp.patch create mode 100644 install/MarcMentat/2022.3/Marc_tools/run_damask_lmp.patch create mode 100644 install/MarcMentat/2022.3/Marc_tools/run_damask_mp.patch create mode 100644 install/MarcMentat/2022.3/Mentat_bin/edit_window.patch create mode 100644 install/MarcMentat/2022.3/Mentat_bin/kill4.patch create mode 100644 install/MarcMentat/2022.3/Mentat_bin/kill5.patch create mode 100644 install/MarcMentat/2022.3/Mentat_bin/kill6.patch create mode 100644 install/MarcMentat/2022.3/Mentat_bin/submit4.patch create mode 100644 install/MarcMentat/2022.3/Mentat_bin/submit5.patch create mode 100644 install/MarcMentat/2022.3/Mentat_bin/submit6.patch create mode 100644 install/MarcMentat/2022.3/Mentat_menus/job_run.ms.patch create mode 100644 src/Marc/include/concom2022.3 create mode 100644 src/Marc/include/creeps2022.3 diff --git a/install/MarcMentat/2022.3/Marc_tools/comp_damask_hmp.patch b/install/MarcMentat/2022.3/Marc_tools/comp_damask_hmp.patch new file mode 100644 index 000000000..886ebf008 --- /dev/null +++ b/install/MarcMentat/2022.3/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 diff --git a/install/MarcMentat/2022.3/Marc_tools/comp_damask_lmp.patch b/install/MarcMentat/2022.3/Marc_tools/comp_damask_lmp.patch new file mode 100644 index 000000000..191cb1a53 --- /dev/null +++ b/install/MarcMentat/2022.3/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 diff --git a/install/MarcMentat/2022.3/Marc_tools/comp_damask_mp.patch b/install/MarcMentat/2022.3/Marc_tools/comp_damask_mp.patch new file mode 100644 index 000000000..7c9cf7ba7 --- /dev/null +++ b/install/MarcMentat/2022.3/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 $DIRJOB/*_genmod.f90 diff --git a/install/MarcMentat/2022.3/Marc_tools/include_linux64.patch b/install/MarcMentat/2022.3/Marc_tools/include_linux64.patch new file mode 100644 index 000000000..8a758c795 --- /dev/null +++ b/install/MarcMentat/2022.3/Marc_tools/include_linux64.patch @@ -0,0 +1,75 @@ +--- ++++ +@@ -166,6 +166,15 @@ + MARC_COSIM_LIB="$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" +@@ -594,7 +603,7 @@ + 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" +@@ -607,7 +616,7 @@ + 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 \ +@@ -621,6 +630,29 @@ + # 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=2022.1 -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=2022.1 -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=2022.1 -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 \ +@@ -778,7 +810,7 @@ + + 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 $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 $HDF5_LIB $SOLVER2LIBS" + + SOLVERLIBS_DLL=${SOLVERLIBS} + if test "$AEM_DLL" -eq 1 diff --git a/install/MarcMentat/2022.3/Marc_tools/run_damask_hmp.patch b/install/MarcMentat/2022.3/Marc_tools/run_damask_hmp.patch new file mode 100644 index 000000000..a63591c4b --- /dev/null +++ b/install/MarcMentat/2022.3/Marc_tools/run_damask_hmp.patch @@ -0,0 +1,517 @@ +--- ++++ +@@ -136,6 +136,11 @@ + # is created. For job running in the background, the log # + # file is always created. Default is "yes" # + ############################################################################## ++# remove all Mentat paths from LD_LIBRARY_PATH ++LD_LIBRARY_PATH=:$LD_LIBRARY_PATH: ++LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([!(:)])mentat2022.2+([!(:)])/:} ++LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([(:)])/:} ++LD_LIBRARY_PATH=${LD_LIBRARY_PATH#:}; LD_LIBRARY_PATH=${LD_LIBRARY_PATH%:} + # set DIR to the directory in which this script is + REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`" + DIR=`dirname $REALCOM` +@@ -302,7 +307,23 @@ + + . "$DIR/getarch" + ++ ++# getting user subroutine file name ++found=0 ++for i in "$@"; do ++ if test $found = 1; then ++ DAMASK_USER=$i ++ found=0 ++ fi ++ case $i in ++ -u* | -U*) ++ found=1 ++ ;; ++ esac ++done ++# sourcing include_linux64 (needs DAMASK_USER to be set) + . $MARC_INCLUDE ++ + # + + # +@@ -405,7 +426,7 @@ + did= + vid= + user= +-usersubname= ++usernoext= + objs= + qid=background + cpu= +@@ -676,50 +697,19 @@ + esac + ;; + -u* | -U*) +- user=`dirname $value`/`$BASENAME $value .f` +- usersubname=$user +- basefile=`$BASENAME $value` +- if test ${basefile##*.} = f +- then +- user=`dirname $value`/`$BASENAME $value .f` +- usersubname=$user.f +- elif test ${basefile##*.} = F +- then +- user=`dirname $value`/`$BASENAME $value .F` +- usersubname=$user.F +- elif test ${basefile##*.} = f90 +- then +- user=`dirname $value`/`$BASENAME $value .f90` +- usersubname=$user.f90 +- elif test ${basefile##*.} = F90 +- then +- user=`dirname $value`/`$BASENAME $value .F90` +- usersubname=$user.F90 +- fi ++ user=$value + case $user in + \/*) + ;; + *) + user=`pwd`/$user +- usersubname=`pwd`/$usersubname + ;; + esac +- if test ! -f $usersubname +- then +- if test -f $usersubname.f +- then +- usersubname=$usersubname.f +- elif test -f $usersubname.F +- then +- usersubname=$usersubname.F +- elif test -f $usersubname.f90 +- then +- usersubname=$usersubname.f90 +- elif test -f $usersubname.F90 +- then +- usersubname=$usersubname.F90 +- fi +- fi ++ usernoext=$user ++ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` ++ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` ++ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` ++ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` + ;; + -obj | -OBJ) + objs="$value" +@@ -1207,12 +1197,12 @@ + fi + fi + fi +- if test "$usersubname" ++ if test "$user" + then +- if test ! -f $usersubname ++ if test ! -f $user + then + error="$error +-user subroutine file $usersubname not accessible" ++user subroutine file $user not accessible" + fi + fi + if test "$objs" +@@ -1531,7 +1521,7 @@ + Marc shared lib : $progdll + Version type : $mode + Job ID : $DIRJID/$jid$extra_job_info +-User subroutine name : $usersubname ++User subroutine name : $user + User objects/libs : $objs + Restart file job ID : $rid + Substructure file ID : $sid +@@ -1564,7 +1554,7 @@ + Marc shared lib : $progdll + Version type : $mode + Job ID : $DIRJID/$jid$extra_job_info +-User subroutine name : $usersubname ++User subroutine name : $user + User objects/libs : $objs + Restart file job ID : $rid + Substructure file ID : $sid +@@ -1687,7 +1677,7 @@ + ;; + esac + fi +- $ECHO "User subroutine name ($usersubname)? $ECHOTXT" ++ $ECHO "User subroutine name ($user)? $ECHOTXT" + read value + if test "$value" + then +@@ -1696,50 +1686,19 @@ + user= + ;; + *) +- user=`dirname $value`/`$BASENAME $value .f` +- usersubname=$user +- basefile=`$BASENAME $value` +- if test ${basefile##*.} = f +- then +- user=`dirname $value`/`$BASENAME $value .f` +- usersubname=$user.f +- elif test ${basefile##*.} = F +- then +- user=`dirname $value`/`$BASENAME $value .F` +- usersubname=$user.F +- elif test ${basefile##*.} = f90 +- then +- user=`dirname $value`/`$BASENAME $value .f90` +- usersubname=$user.f90 +- elif test ${basefile##*.} = F90 +- then +- user=`dirname $value`/`$BASENAME $value .F90` +- usersubname=$user.F90 +- fi ++ user=$value + case $user in + \/*) + ;; + *) + user=`pwd`/$user +- usersubname=`pwd`/$usersubname + ;; + esac +- if test ! -f $usersubname +- then +- if test -f $usersubname.f +- then +- usersubname=$usersubname.f +- elif test -f $usersubname.F +- then +- usersubname=$usersubname.F +- elif test -f $usersubname.f90 +- then +- usersubname=$usersubname.f90 +- elif test -f $usersubname.F90 +- then +- usersubname=$usersubname.F90 +- fi +- fi ++ usernoext=$user ++ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` ++ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` ++ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` ++ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` + ;; + esac + fi +@@ -2274,11 +2233,12 @@ + # + # user subroutine used + # ++# add DAMASK options for linking ++ DAMASK="-lstdc++" + + if test "$user" + then +-# program=$user.marc +- program=$DIRJOB/`$BASENAME $user .f`.marc ++ program=$usernoext.marc + case $program in + \/* | \.\/*) + bd= +@@ -2391,7 +2351,7 @@ + fi + if test "$user" + then +- execpath=$DIRJOB/`$BASENAME $user .f`.marc ++ execpath=$usernoext.marc + usersub=1 + fi + export execpath +@@ -3274,44 +3234,27 @@ + echo + if test "$user" + then +- userobj=$DIRJOB/`$BASENAME $user .f`.o +- basefile=`$BASENAME $usersubname` +- if test ${basefile##*.} = f +- then +- usersub=$DIRJOB/`$BASENAME $user .f`.F +- ln -sf "$user.f" "$usersub" +- else +- usersub=$usersubname +- fi +- ++ userobj=$usernoext.o + fi + cat > $jid.runmarcscript << END4 + if test "$user" + then +- if test ${basefile##*.} = f +- then +- ln -sf "$user.f" "$usersub" +- fi + if test $MACHINENAME = "CRAY" + then +- $FORTRAN $usersub || \ ++ $DFORTHIGHMP $user || \ + { +- echo "$0: compile failed for $user.f" ++ echo "$0: compile failed for $user" + exit 1 + } + /bin/rm $program 2>/dev/null + else +- $FORTRAN $usersub -o $userobj || \ ++ $DFORTHIGHMP $user -o $userobj || \ + { +- echo "$0: compile failed for $user.f" ++ echo "$0: compile failed for $user" + exit 1 + } + /bin/rm $program 2>/dev/null + fi +- if test ${basefile##*.} = f +- then +- /bin/rm -f "$usersub" +- fi + fi + + +@@ -3331,6 +3274,7 @@ + $TKLIBS \ + $MRCLIBS \ + $METISLIBS \ ++ $DAMASK \ + $SFLIB \ + $OPENSSL_LIB \ + $SYSLIBS \ +@@ -3344,6 +3288,9 @@ + prgsav=yes + fi + /bin/rm $userobj 2>/dev/null ++/bin/rm $DIRJOB/*.mod 2>/dev/null ++/bin/rm $DIRJOB/*.smod 2>/dev/null ++/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null + + # + # run marc +@@ -3390,7 +3337,7 @@ + fi + else + if test $cpdll = yes; then +- filename=`basename $usersubname .f` ++ filename=$usernoext + /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null + fi + if test $rmdll = yes +@@ -3556,7 +3503,7 @@ + # first copy over the user sub if local directories + if test ${dirstatus[$counter]} = "local" + then +- $RCP $user.f $i:$DIR1/ ++ $RCP $user $i:$DIR1/ + fi + # do the compilation on the other machine + if test ${dirstatus[$counter]} = "shared" +@@ -3569,21 +3516,21 @@ + remoteuser=$DIR1/`$BASENAME $user` + $RSH $i /bin/rm $remoteprog 2> /dev/null + echo +- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog ++ $RSH $i $DIR2/tools/comp_damask_hmp $DIR2 $DIR1 $remoteuser $remoteprog + # check if successful, the new executable should be there + line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` + if test "$line" + then + echo compilation and linking successful on host $i + else +- echo "$0: compile failed for $user.f on host $i" ++ echo "$0: compile failed for $user on host $i" + echo " $PRODUCT Exit number 3" + exit 1 + fi + # remove the user subroutine on remote machine + if test ${dirstatus[$counter]} = "local" + then +- $RSH $i /bin/rm $remoteuser.f 2> /dev/null ++ $RSH $i /bin/rm $remoteuser 2> /dev/null + fi + fi + fi +@@ -3593,39 +3540,27 @@ + if test "$userhost" + then + echo +- echo "Compiling and linking user subroutine $user.f on host `hostname`" +- fi +- userobj=$DIRJOB/`$BASENAME $user .f`.o +- basefile=`$BASENAME $usersubname` +- if test ${basefile##*.} = f +- then +- usersub=$DIRJOB/`$BASENAME $user .f`.F +- ln -sf "$user.f" "$usersub" +- else +- usersub=$usersubname ++ echo "Compiling and linking user subroutine $user on host `hostname`" + fi ++ userobj=$usernoext.o + if test $MACHINENAME = "CRAY" + then +- $FORTRAN $usersub || \ ++ $DFORTHIGHMP $user || \ + { +- echo "$0: compile failed for $user.f" ++ echo "$0: compile failed for $user" + echo " $PRODUCT Exit number 3" + exit 1 + } + /bin/rm $program 2>/dev/null + else +- $FORTRAN $usersub -o $userobj || \ ++ $DFORTHIGHMP $user -o $userobj || \ + { +- echo "$0: compile failed for $user.f" ++ echo "$0: compile failed for $user" + echo " $PRODUCT Exit number 3" + exit 1 + } + /bin/rm $program 2>/dev/null + fi +- if test ${basefile##*.} = f +- then +- /bin/rm -f "$usersub" +- fi + fi # if test $user + + +@@ -3645,6 +3580,7 @@ + $TKLIBS \ + $MRCLIBS \ + $METISLIBS \ ++ $DAMASK \ + $SFLIB \ + $OPENSSL_LIB \ + $SYSLIBS \ +@@ -3686,6 +3622,9 @@ + prgsav=yes + fi # if test $link + /bin/rm $userobj 2>/dev/null ++/bin/rm $DIRJOB/*.mod 2>/dev/null ++/bin/rm $DIRJOB/*.smod 2>/dev/null ++/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null + + # + # run marc +@@ -3779,7 +3718,7 @@ + else + #dllrun >0 + if test $cpdll = yes; then +- filename=`basename $usersubname .f` ++ filename=$usernoext + /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null + fi + if test $rmdll = yes;then +@@ -3904,7 +3843,7 @@ + # first copy over the user sub if local directories + if test ${dirstatus[$counter]} = "local" + then +- $RCP $user.f $i:$DIR1/ ++ $RCP $user $i:$DIR1/ + fi + # do the compilation on the other machine + if test ${dirstatus[$counter]} = "shared" +@@ -3917,20 +3856,20 @@ + remoteuser=$DIR1/`$BASENAME $user` + $RSH $i /bin/rm $remoteprog 2> /dev/null + echo +- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog ++ $RSH $i $DIR2/tools/comp_damask_hmp $DIR2 $DIR1 $remoteuser $remoteprog + # check if successful, the new executable should be there + line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` + if test "$line" + then + echo compilation and linking successful on host $i + else +- echo "$0: compile failed for $user.f on host $i" ++ echo "$0: compile failed for $user on host $i" + exit 1 + fi + # remove the user subroutine on remote machine + if test ${dirstatus[$counter]} = "local" + then +- $RSH $i /bin/rm $remoteuser.f 2> /dev/null ++ $RSH $i /bin/rm $remoteuser 2> /dev/null + fi + fi + fi +@@ -3940,37 +3879,25 @@ + if test "$userhost" + then + echo +- echo "Compiling and linking user subroutine $user.f on host `hostname`" +- fi +- userobj=$DIRJOB/`$BASENAME $user .f`.o +- basefile=`$BASENAME $usersubname` +- if test ${basefile##*.} = f +- then +- usersub=$DIRJOB/`$BASENAME $user .f`.F +- ln -sf "$user.f" "$usersub" +- else +- usersub=$usersubname ++ echo "Compiling and linking user subroutine $user on host `hostname`" + fi ++ userobj=$usernoext.o + if test $MACHINENAME = "CRAY" + then +- $FORTRAN $usersub || \ ++ $DFORTHIGHMP $user || \ + { +- echo "$0: compile failed for $user.f" ++ echo "$0: compile failed for $user" + exit 1 + } + /bin/rm $program 2>/dev/null + else +- $FORTRAN $usersub -o $userobj || \ ++ $DFORTHIGHMP $user -o $userobj || \ + { +- echo "$0: compile failed for $user.f" ++ echo "$0: compile failed for $user" + exit 1 + } + /bin/rm $program 2>/dev/null + fi +- if test ${basefile##*.} = f +- then +- /bin/rm -f "$usersub" +- fi + fi # if test $user + + +@@ -3990,6 +3917,7 @@ + $TKLIBS \ + $MRCLIBS \ + $METISLIBS \ ++ $DAMASK \ + $SFLIB \ + $OPENSSL_LIB \ + $SYSLIBS \ +@@ -4030,7 +3958,9 @@ + prgsav=yes + fi # if test $link + /bin/rm $userobj 2>/dev/null +- ++/bin/rm $DIRJOB/*.mod 2>/dev/null ++/bin/rm $DIRJOB/*.smod 2>/dev/null ++/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null + # done if no job id given + if test -z "$jid" + then +@@ -4149,7 +4079,7 @@ + else + #dllrun >0 + if test $cpdll = yes; then +- filename=`basename $usersubname .f` ++ filename=$usernoext + /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null + fi + if test $rmdll = yes;then diff --git a/install/MarcMentat/2022.3/Marc_tools/run_damask_lmp.patch b/install/MarcMentat/2022.3/Marc_tools/run_damask_lmp.patch new file mode 100644 index 000000000..4371ece0c --- /dev/null +++ b/install/MarcMentat/2022.3/Marc_tools/run_damask_lmp.patch @@ -0,0 +1,517 @@ +--- ++++ +@@ -136,6 +136,11 @@ + # is created. For job running in the background, the log # + # file is always created. Default is "yes" # + ############################################################################## ++# remove all Mentat paths from LD_LIBRARY_PATH ++LD_LIBRARY_PATH=:$LD_LIBRARY_PATH: ++LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([!(:)])mentat2022.2+([!(:)])/:} ++LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([(:)])/:} ++LD_LIBRARY_PATH=${LD_LIBRARY_PATH#:}; LD_LIBRARY_PATH=${LD_LIBRARY_PATH%:} + # set DIR to the directory in which this script is + REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`" + DIR=`dirname $REALCOM` +@@ -302,7 +307,23 @@ + + . "$DIR/getarch" + ++ ++# getting user subroutine file name ++found=0 ++for i in "$@"; do ++ if test $found = 1; then ++ DAMASK_USER=$i ++ found=0 ++ fi ++ case $i in ++ -u* | -U*) ++ found=1 ++ ;; ++ esac ++done ++# sourcing include_linux64 (needs DAMASK_USER to be set) + . $MARC_INCLUDE ++ + # + + # +@@ -405,7 +426,7 @@ + did= + vid= + user= +-usersubname= ++usernoext= + objs= + qid=background + cpu= +@@ -676,50 +697,19 @@ + esac + ;; + -u* | -U*) +- user=`dirname $value`/`$BASENAME $value .f` +- usersubname=$user +- basefile=`$BASENAME $value` +- if test ${basefile##*.} = f +- then +- user=`dirname $value`/`$BASENAME $value .f` +- usersubname=$user.f +- elif test ${basefile##*.} = F +- then +- user=`dirname $value`/`$BASENAME $value .F` +- usersubname=$user.F +- elif test ${basefile##*.} = f90 +- then +- user=`dirname $value`/`$BASENAME $value .f90` +- usersubname=$user.f90 +- elif test ${basefile##*.} = F90 +- then +- user=`dirname $value`/`$BASENAME $value .F90` +- usersubname=$user.F90 +- fi ++ user=$value + case $user in + \/*) + ;; + *) + user=`pwd`/$user +- usersubname=`pwd`/$usersubname + ;; + esac +- if test ! -f $usersubname +- then +- if test -f $usersubname.f +- then +- usersubname=$usersubname.f +- elif test -f $usersubname.F +- then +- usersubname=$usersubname.F +- elif test -f $usersubname.f90 +- then +- usersubname=$usersubname.f90 +- elif test -f $usersubname.F90 +- then +- usersubname=$usersubname.F90 +- fi +- fi ++ usernoext=$user ++ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` ++ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` ++ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` ++ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` + ;; + -obj | -OBJ) + objs="$value" +@@ -1207,12 +1197,12 @@ + fi + fi + fi +- if test "$usersubname" ++ if test "$user" + then +- if test ! -f $usersubname ++ if test ! -f $user + then + error="$error +-user subroutine file $usersubname not accessible" ++user subroutine file $user not accessible" + fi + fi + if test "$objs" +@@ -1531,7 +1521,7 @@ + Marc shared lib : $progdll + Version type : $mode + Job ID : $DIRJID/$jid$extra_job_info +-User subroutine name : $usersubname ++User subroutine name : $user + User objects/libs : $objs + Restart file job ID : $rid + Substructure file ID : $sid +@@ -1564,7 +1554,7 @@ + Marc shared lib : $progdll + Version type : $mode + Job ID : $DIRJID/$jid$extra_job_info +-User subroutine name : $usersubname ++User subroutine name : $user + User objects/libs : $objs + Restart file job ID : $rid + Substructure file ID : $sid +@@ -1687,7 +1677,7 @@ + ;; + esac + fi +- $ECHO "User subroutine name ($usersubname)? $ECHOTXT" ++ $ECHO "User subroutine name ($user)? $ECHOTXT" + read value + if test "$value" + then +@@ -1696,50 +1686,19 @@ + user= + ;; + *) +- user=`dirname $value`/`$BASENAME $value .f` +- usersubname=$user +- basefile=`$BASENAME $value` +- if test ${basefile##*.} = f +- then +- user=`dirname $value`/`$BASENAME $value .f` +- usersubname=$user.f +- elif test ${basefile##*.} = F +- then +- user=`dirname $value`/`$BASENAME $value .F` +- usersubname=$user.F +- elif test ${basefile##*.} = f90 +- then +- user=`dirname $value`/`$BASENAME $value .f90` +- usersubname=$user.f90 +- elif test ${basefile##*.} = F90 +- then +- user=`dirname $value`/`$BASENAME $value .F90` +- usersubname=$user.F90 +- fi ++ user=$value + case $user in + \/*) + ;; + *) + user=`pwd`/$user +- usersubname=`pwd`/$usersubname + ;; + esac +- if test ! -f $usersubname +- then +- if test -f $usersubname.f +- then +- usersubname=$usersubname.f +- elif test -f $usersubname.F +- then +- usersubname=$usersubname.F +- elif test -f $usersubname.f90 +- then +- usersubname=$usersubname.f90 +- elif test -f $usersubname.F90 +- then +- usersubname=$usersubname.F90 +- fi +- fi ++ usernoext=$user ++ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` ++ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` ++ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` ++ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` + ;; + esac + fi +@@ -2274,11 +2233,12 @@ + # + # user subroutine used + # ++# add DAMASK options for linking ++ DAMASK="-lstdc++" + + if test "$user" + then +-# program=$user.marc +- program=$DIRJOB/`$BASENAME $user .f`.marc ++ program=$usernoext.marc + case $program in + \/* | \.\/*) + bd= +@@ -2391,7 +2351,7 @@ + fi + if test "$user" + then +- execpath=$DIRJOB/`$BASENAME $user .f`.marc ++ execpath=$usernoext.marc + usersub=1 + fi + export execpath +@@ -3274,44 +3234,27 @@ + echo + if test "$user" + then +- userobj=$DIRJOB/`$BASENAME $user .f`.o +- basefile=`$BASENAME $usersubname` +- if test ${basefile##*.} = f +- then +- usersub=$DIRJOB/`$BASENAME $user .f`.F +- ln -sf "$user.f" "$usersub" +- else +- usersub=$usersubname +- fi +- ++ userobj=$usernoext.o + fi + cat > $jid.runmarcscript << END4 + if test "$user" + then +- if test ${basefile##*.} = f +- then +- ln -sf "$user.f" "$usersub" +- fi + if test $MACHINENAME = "CRAY" + then +- $FORTRAN $usersub || \ ++ $DFORTLOWMP $user || \ + { +- echo "$0: compile failed for $user.f" ++ echo "$0: compile failed for $user" + exit 1 + } + /bin/rm $program 2>/dev/null + else +- $FORTRAN $usersub -o $userobj || \ ++ $DFORTLOWMP $user -o $userobj || \ + { +- echo "$0: compile failed for $user.f" ++ echo "$0: compile failed for $user" + exit 1 + } + /bin/rm $program 2>/dev/null + fi +- if test ${basefile##*.} = f +- then +- /bin/rm -f "$usersub" +- fi + fi + + +@@ -3331,6 +3274,7 @@ + $TKLIBS \ + $MRCLIBS \ + $METISLIBS \ ++ $DAMASK \ + $SFLIB \ + $OPENSSL_LIB \ + $SYSLIBS \ +@@ -3344,6 +3288,9 @@ + prgsav=yes + fi + /bin/rm $userobj 2>/dev/null ++/bin/rm $DIRJOB/*.mod 2>/dev/null ++/bin/rm $DIRJOB/*.smod 2>/dev/null ++/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null + + # + # run marc +@@ -3390,7 +3337,7 @@ + fi + else + if test $cpdll = yes; then +- filename=`basename $usersubname .f` ++ filename=$usernoext + /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null + fi + if test $rmdll = yes +@@ -3556,7 +3503,7 @@ + # first copy over the user sub if local directories + if test ${dirstatus[$counter]} = "local" + then +- $RCP $user.f $i:$DIR1/ ++ $RCP $user $i:$DIR1/ + fi + # do the compilation on the other machine + if test ${dirstatus[$counter]} = "shared" +@@ -3569,21 +3516,21 @@ + remoteuser=$DIR1/`$BASENAME $user` + $RSH $i /bin/rm $remoteprog 2> /dev/null + echo +- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog ++ $RSH $i $DIR2/tools/comp_damask_lmp $DIR2 $DIR1 $remoteuser $remoteprog + # check if successful, the new executable should be there + line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` + if test "$line" + then + echo compilation and linking successful on host $i + else +- echo "$0: compile failed for $user.f on host $i" ++ echo "$0: compile failed for $user on host $i" + echo " $PRODUCT Exit number 3" + exit 1 + fi + # remove the user subroutine on remote machine + if test ${dirstatus[$counter]} = "local" + then +- $RSH $i /bin/rm $remoteuser.f 2> /dev/null ++ $RSH $i /bin/rm $remoteuser 2> /dev/null + fi + fi + fi +@@ -3593,39 +3540,27 @@ + if test "$userhost" + then + echo +- echo "Compiling and linking user subroutine $user.f on host `hostname`" +- fi +- userobj=$DIRJOB/`$BASENAME $user .f`.o +- basefile=`$BASENAME $usersubname` +- if test ${basefile##*.} = f +- then +- usersub=$DIRJOB/`$BASENAME $user .f`.F +- ln -sf "$user.f" "$usersub" +- else +- usersub=$usersubname ++ echo "Compiling and linking user subroutine $user on host `hostname`" + fi ++ userobj=$usernoext.o + if test $MACHINENAME = "CRAY" + then +- $FORTRAN $usersub || \ ++ $DFORTLOWMP $user || \ + { +- echo "$0: compile failed for $user.f" ++ echo "$0: compile failed for $user" + echo " $PRODUCT Exit number 3" + exit 1 + } + /bin/rm $program 2>/dev/null + else +- $FORTRAN $usersub -o $userobj || \ ++ $DFORTLOWMP $user -o $userobj || \ + { +- echo "$0: compile failed for $user.f" ++ echo "$0: compile failed for $user" + echo " $PRODUCT Exit number 3" + exit 1 + } + /bin/rm $program 2>/dev/null + fi +- if test ${basefile##*.} = f +- then +- /bin/rm -f "$usersub" +- fi + fi # if test $user + + +@@ -3645,6 +3580,7 @@ + $TKLIBS \ + $MRCLIBS \ + $METISLIBS \ ++ $DAMASK \ + $SFLIB \ + $OPENSSL_LIB \ + $SYSLIBS \ +@@ -3686,6 +3622,9 @@ + prgsav=yes + fi # if test $link + /bin/rm $userobj 2>/dev/null ++/bin/rm $DIRJOB/*.mod 2>/dev/null ++/bin/rm $DIRJOB/*.smod 2>/dev/null ++/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null + + # + # run marc +@@ -3779,7 +3718,7 @@ + else + #dllrun >0 + if test $cpdll = yes; then +- filename=`basename $usersubname .f` ++ filename=$usernoext + /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null + fi + if test $rmdll = yes;then +@@ -3904,7 +3843,7 @@ + # first copy over the user sub if local directories + if test ${dirstatus[$counter]} = "local" + then +- $RCP $user.f $i:$DIR1/ ++ $RCP $user $i:$DIR1/ + fi + # do the compilation on the other machine + if test ${dirstatus[$counter]} = "shared" +@@ -3917,20 +3856,20 @@ + remoteuser=$DIR1/`$BASENAME $user` + $RSH $i /bin/rm $remoteprog 2> /dev/null + echo +- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog ++ $RSH $i $DIR2/tools/comp_damask_lmp $DIR2 $DIR1 $remoteuser $remoteprog + # check if successful, the new executable should be there + line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` + if test "$line" + then + echo compilation and linking successful on host $i + else +- echo "$0: compile failed for $user.f on host $i" ++ echo "$0: compile failed for $user on host $i" + exit 1 + fi + # remove the user subroutine on remote machine + if test ${dirstatus[$counter]} = "local" + then +- $RSH $i /bin/rm $remoteuser.f 2> /dev/null ++ $RSH $i /bin/rm $remoteuser 2> /dev/null + fi + fi + fi +@@ -3940,37 +3879,25 @@ + if test "$userhost" + then + echo +- echo "Compiling and linking user subroutine $user.f on host `hostname`" +- fi +- userobj=$DIRJOB/`$BASENAME $user .f`.o +- basefile=`$BASENAME $usersubname` +- if test ${basefile##*.} = f +- then +- usersub=$DIRJOB/`$BASENAME $user .f`.F +- ln -sf "$user.f" "$usersub" +- else +- usersub=$usersubname ++ echo "Compiling and linking user subroutine $user on host `hostname`" + fi ++ userobj=$usernoext.o + if test $MACHINENAME = "CRAY" + then +- $FORTRAN $usersub || \ ++ $DFORTLOWMP $user || \ + { +- echo "$0: compile failed for $user.f" ++ echo "$0: compile failed for $user" + exit 1 + } + /bin/rm $program 2>/dev/null + else +- $FORTRAN $usersub -o $userobj || \ ++ $DFORTLOWMP $user -o $userobj || \ + { +- echo "$0: compile failed for $user.f" ++ echo "$0: compile failed for $user" + exit 1 + } + /bin/rm $program 2>/dev/null + fi +- if test ${basefile##*.} = f +- then +- /bin/rm -f "$usersub" +- fi + fi # if test $user + + +@@ -3990,6 +3917,7 @@ + $TKLIBS \ + $MRCLIBS \ + $METISLIBS \ ++ $DAMASK \ + $SFLIB \ + $OPENSSL_LIB \ + $SYSLIBS \ +@@ -4030,7 +3958,9 @@ + prgsav=yes + fi # if test $link + /bin/rm $userobj 2>/dev/null +- ++/bin/rm $DIRJOB/*.mod 2>/dev/null ++/bin/rm $DIRJOB/*.smod 2>/dev/null ++/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null + # done if no job id given + if test -z "$jid" + then +@@ -4149,7 +4079,7 @@ + else + #dllrun >0 + if test $cpdll = yes; then +- filename=`basename $usersubname .f` ++ filename=$usernoext + /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null + fi + if test $rmdll = yes;then diff --git a/install/MarcMentat/2022.3/Marc_tools/run_damask_mp.patch b/install/MarcMentat/2022.3/Marc_tools/run_damask_mp.patch new file mode 100644 index 000000000..11f9f00f4 --- /dev/null +++ b/install/MarcMentat/2022.3/Marc_tools/run_damask_mp.patch @@ -0,0 +1,517 @@ +--- ++++ +@@ -136,6 +136,11 @@ + # is created. For job running in the background, the log # + # file is always created. Default is "yes" # + ############################################################################## ++# remove all Mentat paths from LD_LIBRARY_PATH ++LD_LIBRARY_PATH=:$LD_LIBRARY_PATH: ++LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([!(:)])mentat2022.2+([!(:)])/:} ++LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([(:)])/:} ++LD_LIBRARY_PATH=${LD_LIBRARY_PATH#:}; LD_LIBRARY_PATH=${LD_LIBRARY_PATH%:} + # set DIR to the directory in which this script is + REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`" + DIR=`dirname $REALCOM` +@@ -302,7 +307,23 @@ + + . "$DIR/getarch" + ++ ++# getting user subroutine file name ++found=0 ++for i in "$@"; do ++ if test $found = 1; then ++ DAMASK_USER=$i ++ found=0 ++ fi ++ case $i in ++ -u* | -U*) ++ found=1 ++ ;; ++ esac ++done ++# sourcing include_linux64 (needs DAMASK_USER to be set) + . $MARC_INCLUDE ++ + # + + # +@@ -405,7 +426,7 @@ + did= + vid= + user= +-usersubname= ++usernoext= + objs= + qid=background + cpu= +@@ -676,50 +697,19 @@ + esac + ;; + -u* | -U*) +- user=`dirname $value`/`$BASENAME $value .f` +- usersubname=$user +- basefile=`$BASENAME $value` +- if test ${basefile##*.} = f +- then +- user=`dirname $value`/`$BASENAME $value .f` +- usersubname=$user.f +- elif test ${basefile##*.} = F +- then +- user=`dirname $value`/`$BASENAME $value .F` +- usersubname=$user.F +- elif test ${basefile##*.} = f90 +- then +- user=`dirname $value`/`$BASENAME $value .f90` +- usersubname=$user.f90 +- elif test ${basefile##*.} = F90 +- then +- user=`dirname $value`/`$BASENAME $value .F90` +- usersubname=$user.F90 +- fi ++ user=$value + case $user in + \/*) + ;; + *) + user=`pwd`/$user +- usersubname=`pwd`/$usersubname + ;; + esac +- if test ! -f $usersubname +- then +- if test -f $usersubname.f +- then +- usersubname=$usersubname.f +- elif test -f $usersubname.F +- then +- usersubname=$usersubname.F +- elif test -f $usersubname.f90 +- then +- usersubname=$usersubname.f90 +- elif test -f $usersubname.F90 +- then +- usersubname=$usersubname.F90 +- fi +- fi ++ usernoext=$user ++ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` ++ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` ++ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` ++ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` + ;; + -obj | -OBJ) + objs="$value" +@@ -1207,12 +1197,12 @@ + fi + fi + fi +- if test "$usersubname" ++ if test "$user" + then +- if test ! -f $usersubname ++ if test ! -f $user + then + error="$error +-user subroutine file $usersubname not accessible" ++user subroutine file $user not accessible" + fi + fi + if test "$objs" +@@ -1531,7 +1521,7 @@ + Marc shared lib : $progdll + Version type : $mode + Job ID : $DIRJID/$jid$extra_job_info +-User subroutine name : $usersubname ++User subroutine name : $user + User objects/libs : $objs + Restart file job ID : $rid + Substructure file ID : $sid +@@ -1564,7 +1554,7 @@ + Marc shared lib : $progdll + Version type : $mode + Job ID : $DIRJID/$jid$extra_job_info +-User subroutine name : $usersubname ++User subroutine name : $user + User objects/libs : $objs + Restart file job ID : $rid + Substructure file ID : $sid +@@ -1687,7 +1677,7 @@ + ;; + esac + fi +- $ECHO "User subroutine name ($usersubname)? $ECHOTXT" ++ $ECHO "User subroutine name ($user)? $ECHOTXT" + read value + if test "$value" + then +@@ -1696,50 +1686,19 @@ + user= + ;; + *) +- user=`dirname $value`/`$BASENAME $value .f` +- usersubname=$user +- basefile=`$BASENAME $value` +- if test ${basefile##*.} = f +- then +- user=`dirname $value`/`$BASENAME $value .f` +- usersubname=$user.f +- elif test ${basefile##*.} = F +- then +- user=`dirname $value`/`$BASENAME $value .F` +- usersubname=$user.F +- elif test ${basefile##*.} = f90 +- then +- user=`dirname $value`/`$BASENAME $value .f90` +- usersubname=$user.f90 +- elif test ${basefile##*.} = F90 +- then +- user=`dirname $value`/`$BASENAME $value .F90` +- usersubname=$user.F90 +- fi ++ user=$value + case $user in + \/*) + ;; + *) + user=`pwd`/$user +- usersubname=`pwd`/$usersubname + ;; + esac +- if test ! -f $usersubname +- then +- if test -f $usersubname.f +- then +- usersubname=$usersubname.f +- elif test -f $usersubname.F +- then +- usersubname=$usersubname.F +- elif test -f $usersubname.f90 +- then +- usersubname=$usersubname.f90 +- elif test -f $usersubname.F90 +- then +- usersubname=$usersubname.F90 +- fi +- fi ++ usernoext=$user ++ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` ++ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` ++ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` ++ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` + ;; + esac + fi +@@ -2274,11 +2233,12 @@ + # + # user subroutine used + # ++# add DAMASK options for linking ++ DAMASK="-lstdc++" + + if test "$user" + then +-# program=$user.marc +- program=$DIRJOB/`$BASENAME $user .f`.marc ++ program=$usernoext.marc + case $program in + \/* | \.\/*) + bd= +@@ -2391,7 +2351,7 @@ + fi + if test "$user" + then +- execpath=$DIRJOB/`$BASENAME $user .f`.marc ++ execpath=$usernoext.marc + usersub=1 + fi + export execpath +@@ -3274,44 +3234,27 @@ + echo + if test "$user" + then +- userobj=$DIRJOB/`$BASENAME $user .f`.o +- basefile=`$BASENAME $usersubname` +- if test ${basefile##*.} = f +- then +- usersub=$DIRJOB/`$BASENAME $user .f`.F +- ln -sf "$user.f" "$usersub" +- else +- usersub=$usersubname +- fi +- ++ userobj=$usernoext.o + fi + cat > $jid.runmarcscript << END4 + if test "$user" + then +- if test ${basefile##*.} = f +- then +- ln -sf "$user.f" "$usersub" +- fi + if test $MACHINENAME = "CRAY" + then +- $FORTRAN $usersub || \ ++ $DFORTRANMP $user || \ + { +- echo "$0: compile failed for $user.f" ++ echo "$0: compile failed for $user" + exit 1 + } + /bin/rm $program 2>/dev/null + else +- $FORTRAN $usersub -o $userobj || \ ++ $DFORTRANMP $user -o $userobj || \ + { +- echo "$0: compile failed for $user.f" ++ echo "$0: compile failed for $user" + exit 1 + } + /bin/rm $program 2>/dev/null + fi +- if test ${basefile##*.} = f +- then +- /bin/rm -f "$usersub" +- fi + fi + + +@@ -3331,6 +3274,7 @@ + $TKLIBS \ + $MRCLIBS \ + $METISLIBS \ ++ $DAMASK \ + $SFLIB \ + $OPENSSL_LIB \ + $SYSLIBS \ +@@ -3344,6 +3288,9 @@ + prgsav=yes + fi + /bin/rm $userobj 2>/dev/null ++/bin/rm $DIRJOB/*.mod 2>/dev/null ++/bin/rm $DIRJOB/*.smod 2>/dev/null ++/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null + + # + # run marc +@@ -3390,7 +3337,7 @@ + fi + else + if test $cpdll = yes; then +- filename=`basename $usersubname .f` ++ filename=$usernoext + /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null + fi + if test $rmdll = yes +@@ -3556,7 +3503,7 @@ + # first copy over the user sub if local directories + if test ${dirstatus[$counter]} = "local" + then +- $RCP $user.f $i:$DIR1/ ++ $RCP $user $i:$DIR1/ + fi + # do the compilation on the other machine + if test ${dirstatus[$counter]} = "shared" +@@ -3569,21 +3516,21 @@ + remoteuser=$DIR1/`$BASENAME $user` + $RSH $i /bin/rm $remoteprog 2> /dev/null + echo +- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog ++ $RSH $i $DIR2/tools/comp_damask_mp $DIR2 $DIR1 $remoteuser $remoteprog + # check if successful, the new executable should be there + line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` + if test "$line" + then + echo compilation and linking successful on host $i + else +- echo "$0: compile failed for $user.f on host $i" ++ echo "$0: compile failed for $user on host $i" + echo " $PRODUCT Exit number 3" + exit 1 + fi + # remove the user subroutine on remote machine + if test ${dirstatus[$counter]} = "local" + then +- $RSH $i /bin/rm $remoteuser.f 2> /dev/null ++ $RSH $i /bin/rm $remoteuser 2> /dev/null + fi + fi + fi +@@ -3593,39 +3540,27 @@ + if test "$userhost" + then + echo +- echo "Compiling and linking user subroutine $user.f on host `hostname`" +- fi +- userobj=$DIRJOB/`$BASENAME $user .f`.o +- basefile=`$BASENAME $usersubname` +- if test ${basefile##*.} = f +- then +- usersub=$DIRJOB/`$BASENAME $user .f`.F +- ln -sf "$user.f" "$usersub" +- else +- usersub=$usersubname ++ echo "Compiling and linking user subroutine $user on host `hostname`" + fi ++ userobj=$usernoext.o + if test $MACHINENAME = "CRAY" + then +- $FORTRAN $usersub || \ ++ $DFORTRANMP $user || \ + { +- echo "$0: compile failed for $user.f" ++ echo "$0: compile failed for $user" + echo " $PRODUCT Exit number 3" + exit 1 + } + /bin/rm $program 2>/dev/null + else +- $FORTRAN $usersub -o $userobj || \ ++ $DFORTRANMP $user -o $userobj || \ + { +- echo "$0: compile failed for $user.f" ++ echo "$0: compile failed for $user" + echo " $PRODUCT Exit number 3" + exit 1 + } + /bin/rm $program 2>/dev/null + fi +- if test ${basefile##*.} = f +- then +- /bin/rm -f "$usersub" +- fi + fi # if test $user + + +@@ -3645,6 +3580,7 @@ + $TKLIBS \ + $MRCLIBS \ + $METISLIBS \ ++ $DAMASK \ + $SFLIB \ + $OPENSSL_LIB \ + $SYSLIBS \ +@@ -3686,6 +3622,9 @@ + prgsav=yes + fi # if test $link + /bin/rm $userobj 2>/dev/null ++/bin/rm $DIRJOB/*.mod 2>/dev/null ++/bin/rm $DIRJOB/*.smod 2>/dev/null ++/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null + + # + # run marc +@@ -3779,7 +3718,7 @@ + else + #dllrun >0 + if test $cpdll = yes; then +- filename=`basename $usersubname .f` ++ filename=$usernoext + /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null + fi + if test $rmdll = yes;then +@@ -3904,7 +3843,7 @@ + # first copy over the user sub if local directories + if test ${dirstatus[$counter]} = "local" + then +- $RCP $user.f $i:$DIR1/ ++ $RCP $user $i:$DIR1/ + fi + # do the compilation on the other machine + if test ${dirstatus[$counter]} = "shared" +@@ -3917,20 +3856,20 @@ + remoteuser=$DIR1/`$BASENAME $user` + $RSH $i /bin/rm $remoteprog 2> /dev/null + echo +- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog ++ $RSH $i $DIR2/tools/comp_damask_mp $DIR2 $DIR1 $remoteuser $remoteprog + # check if successful, the new executable should be there + line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` + if test "$line" + then + echo compilation and linking successful on host $i + else +- echo "$0: compile failed for $user.f on host $i" ++ echo "$0: compile failed for $user on host $i" + exit 1 + fi + # remove the user subroutine on remote machine + if test ${dirstatus[$counter]} = "local" + then +- $RSH $i /bin/rm $remoteuser.f 2> /dev/null ++ $RSH $i /bin/rm $remoteuser 2> /dev/null + fi + fi + fi +@@ -3940,37 +3879,25 @@ + if test "$userhost" + then + echo +- echo "Compiling and linking user subroutine $user.f on host `hostname`" +- fi +- userobj=$DIRJOB/`$BASENAME $user .f`.o +- basefile=`$BASENAME $usersubname` +- if test ${basefile##*.} = f +- then +- usersub=$DIRJOB/`$BASENAME $user .f`.F +- ln -sf "$user.f" "$usersub" +- else +- usersub=$usersubname ++ echo "Compiling and linking user subroutine $user on host `hostname`" + fi ++ userobj=$usernoext.o + if test $MACHINENAME = "CRAY" + then +- $FORTRAN $usersub || \ ++ $DFORTRANMP $user || \ + { +- echo "$0: compile failed for $user.f" ++ echo "$0: compile failed for $user" + exit 1 + } + /bin/rm $program 2>/dev/null + else +- $FORTRAN $usersub -o $userobj || \ ++ $DFORTRANMP $user -o $userobj || \ + { +- echo "$0: compile failed for $user.f" ++ echo "$0: compile failed for $user" + exit 1 + } + /bin/rm $program 2>/dev/null + fi +- if test ${basefile##*.} = f +- then +- /bin/rm -f "$usersub" +- fi + fi # if test $user + + +@@ -3990,6 +3917,7 @@ + $TKLIBS \ + $MRCLIBS \ + $METISLIBS \ ++ $DAMASK \ + $SFLIB \ + $OPENSSL_LIB \ + $SYSLIBS \ +@@ -4030,7 +3958,9 @@ + prgsav=yes + fi # if test $link + /bin/rm $userobj 2>/dev/null +- ++/bin/rm $DIRJOB/*.mod 2>/dev/null ++/bin/rm $DIRJOB/*.smod 2>/dev/null ++/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null + # done if no job id given + if test -z "$jid" + then +@@ -4149,7 +4079,7 @@ + else + #dllrun >0 + if test $cpdll = yes; then +- filename=`basename $usersubname .f` ++ filename=$usernoext + /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null + fi + if test $rmdll = yes;then diff --git a/install/MarcMentat/2022.3/Mentat_bin/edit_window.patch b/install/MarcMentat/2022.3/Mentat_bin/edit_window.patch new file mode 100644 index 000000000..915af9bf6 --- /dev/null +++ b/install/MarcMentat/2022.3/Mentat_bin/edit_window.patch @@ -0,0 +1,24 @@ +--- ++++ +@@ -1,18 +1,5 @@ + #!/bin/sh +-# This script opens a window running an editor. The default window is an +-# xterm, and the default editor is vi. These may be customized. ++# This script opens a window running an editor. ++# The command to invoke the editor is specified during DAMASK installation + +-dir= +-for d in /usr/bin /usr/bin/X11; do +- if test -x "$d/xterm"; then +- dir="$d" +- break +- fi +-done +- +-if test -z "$dir"; then +- echo "$0: Could not find xterm" +- exit 1 +-fi +- +-"$dir/xterm" -T "vi $*" -n "vi $*" -e vi $* ++%EDITOR% $* diff --git a/install/MarcMentat/2022.3/Mentat_bin/kill4.patch b/install/MarcMentat/2022.3/Mentat_bin/kill4.patch new file mode 100644 index 000000000..e69de29bb diff --git a/install/MarcMentat/2022.3/Mentat_bin/kill5.patch b/install/MarcMentat/2022.3/Mentat_bin/kill5.patch new file mode 100644 index 000000000..e69de29bb diff --git a/install/MarcMentat/2022.3/Mentat_bin/kill6.patch b/install/MarcMentat/2022.3/Mentat_bin/kill6.patch new file mode 100644 index 000000000..e69de29bb diff --git a/install/MarcMentat/2022.3/Mentat_bin/submit4.patch b/install/MarcMentat/2022.3/Mentat_bin/submit4.patch new file mode 100644 index 000000000..98c51e76d --- /dev/null +++ b/install/MarcMentat/2022.3/Mentat_bin/submit4.patch @@ -0,0 +1,38 @@ +--- ++++ +@@ -63,10 +63,10 @@ + if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then + slv="-iam sfm" + fi +-if [ "$slv" == "marc" ]; then ++if [ "$slv" = "marc" ]; then + slv="" + fi +-if [ "$slv" == "datfit" ]; then ++if [ "$slv" = "datfit" ]; then + slv="-iam datfit" + fi + +@@ -91,6 +91,7 @@ + srcfile="-u $srcfile -save y" + ;; + runsaved) ++ srcfile=${srcfile%.*}".marc" + srcfile="-prog $srcfile" + ;; + esac +@@ -189,12 +190,12 @@ + unset PYTHONPATH + + if [ "$doe_first" = "-" ]; then # submit of regular Marc job +- "${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd \ ++ "${DIR}/tools/run_damask_hmp" $slv -j $job -v n -b y $nprocds $nprocd \ + $srcfile $restart $postfile $viewfactorsfile $hostfile \ + $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ + $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1 + else # submit of a DoE Marc job +- "${DIR}/tools/run_marc" $slv -j $job -v n -b n $nprocds $nprocd \ ++ "${DIR}/tools/run_damask_hmp" $slv -j $job -v n -b n $nprocds $nprocd \ + $srcfile $restart $postfile $viewfactorsfile $hostfile \ + $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ + $assem_recov_nthread $nthread $nsolver $mode $gpu diff --git a/install/MarcMentat/2022.3/Mentat_bin/submit5.patch b/install/MarcMentat/2022.3/Mentat_bin/submit5.patch new file mode 100644 index 000000000..ab32b1058 --- /dev/null +++ b/install/MarcMentat/2022.3/Mentat_bin/submit5.patch @@ -0,0 +1,38 @@ +--- ++++ +@@ -63,10 +63,10 @@ + if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then + slv="-iam sfm" + fi +-if [ "$slv" == "marc" ]; then ++if [ "$slv" = "marc" ]; then + slv="" + fi +-if [ "$slv" == "datfit" ]; then ++if [ "$slv" = "datfit" ]; then + slv="-iam datfit" + fi + +@@ -91,6 +91,7 @@ + srcfile="-u $srcfile -save y" + ;; + runsaved) ++ srcfile=${srcfile%.*}".marc" + srcfile="-prog $srcfile" + ;; + esac +@@ -189,12 +190,12 @@ + unset PYTHONPATH + + if [ "$doe_first" = "-" ]; then # submit of regular Marc job +- "${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd \ ++ "${DIR}/tools/run_damask_mp" $slv -j $job -v n -b y $nprocds $nprocd \ + $srcfile $restart $postfile $viewfactorsfile $hostfile \ + $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ + $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1 + else # submit of a DoE Marc job +- "${DIR}/tools/run_marc" $slv -j $job -v n -b n $nprocds $nprocd \ ++ "${DIR}/tools/run_damask_mp" $slv -j $job -v n -b n $nprocds $nprocd \ + $srcfile $restart $postfile $viewfactorsfile $hostfile \ + $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ + $assem_recov_nthread $nthread $nsolver $mode $gpu diff --git a/install/MarcMentat/2022.3/Mentat_bin/submit6.patch b/install/MarcMentat/2022.3/Mentat_bin/submit6.patch new file mode 100644 index 000000000..d5ea3cfde --- /dev/null +++ b/install/MarcMentat/2022.3/Mentat_bin/submit6.patch @@ -0,0 +1,38 @@ +--- ++++ +@@ -63,10 +63,10 @@ + if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then + slv="-iam sfm" + fi +-if [ "$slv" == "marc" ]; then ++if [ "$slv" = "marc" ]; then + slv="" + fi +-if [ "$slv" == "datfit" ]; then ++if [ "$slv" = "datfit" ]; then + slv="-iam datfit" + fi + +@@ -91,6 +91,7 @@ + srcfile="-u $srcfile -save y" + ;; + runsaved) ++ srcfile=${srcfile%.*}".marc" + srcfile="-prog $srcfile" + ;; + esac +@@ -189,12 +190,12 @@ + unset PYTHONPATH + + if [ "$doe_first" = "-" ]; then # submit of regular Marc job +- "${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd \ ++ "${DIR}/tools/run_damask_lmp" $slv -j $job -v n -b y $nprocds $nprocd \ + $srcfile $restart $postfile $viewfactorsfile $hostfile \ + $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ + $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1 + else # submit of a DoE Marc job +- "${DIR}/tools/run_marc" $slv -j $job -v n -b n $nprocds $nprocd \ ++ "${DIR}/tools/run_damask_lmp" $slv -j $job -v n -b n $nprocds $nprocd \ + $srcfile $restart $postfile $viewfactorsfile $hostfile \ + $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ + $assem_recov_nthread $nthread $nsolver $mode $gpu diff --git a/install/MarcMentat/2022.3/Mentat_menus/job_run.ms.patch b/install/MarcMentat/2022.3/Mentat_menus/job_run.ms.patch new file mode 100644 index 000000000..e9223b1e4 --- /dev/null +++ b/install/MarcMentat/2022.3/Mentat_menus/job_run.ms.patch @@ -0,0 +1,158 @@ +--- ++++ +@@ -261,11 +261,18 @@ + } + button { + position +25 = +- size 25 4 ++ size 18 4 + text "ADVANCED JOB SUBMISSION" + help "job_run#Job Submission And Control" + popmenu job_submit_adv_pm + } ++ button { ++ position +18 = ++ size 7 4 ++ text "DAMASK" ++ help "damask_run#Job Submission And Control" ++ popmenu damask ++ } + button { + position 0 +4 + size 16 4 +@@ -1207,6 +1214,135 @@ + } + + ++#-------------------------------------------------------------------------------------------------- ++popmenu damask { ++ ++#ifdef QT_MENTAT ++ text "DAMASK.MPIE.DE" ++#endif ++ ++ group { ++#ifndef QT_MENTAT ++ label { ++ position 0 0 ++ size 50 4 ++ text "DAMASK.MPIE.DE" ++ } ++#endif ++ ++ label { ++ position 1 6 ++ size 13 6 ++ text "Optimzation" ++ border_width 1 ++ border_color black ++ } ++ ++ label { ++ position +13 = ++ size 20 6 ++ text "write Input" ++ border_width 1 ++ border_color black ++ } ++ ++ label { ++ position +18 = ++ size 30 6 ++ text "do not write Inp." ++ border_width 1 ++ border_color black ++ } ++ ++ label { ++ position -32 +6 ++ size 12 6 ++ text "O3 / OpenMP" ++ border_width 1 ++ border_color black ++ } ++ ++ popdown { ++ position +12 = ++ size 20 6 ++ text "Submit" ++ command "*submit_job 4 *monitor_job" ++ } ++ ++ popdown { ++ position +20 = ++ size 20 6 ++ text "Execute" ++ command "*execute_job 4 *monitor_job" ++ } ++ ++ label { ++ position -32 +6 ++ size 12 6 ++ text "O1 / OpenMP" ++ border_width 1 ++ border_color black ++ } ++ ++ popdown { ++ position +12 = ++ size 20 6 ++ text "Submit" ++ command "*submit_job 5 *monitor_job" ++ } ++ ++ popdown { ++ position +20 = ++ size 20 6 ++ text "Execute" ++ command "*execute_job 5 *monitor_job" ++ } ++ ++ label { ++ position -32 +6 ++ size 12 6 ++ text "O0 / OpenMP" ++ border_width 1 ++ border_color black ++ } ++ ++ popdown { ++ position +12 = ++ size 20 6 ++ text "Submit" ++ command "*submit_job 6 *monitor_job" ++ } ++ ++ popdown { ++ position +20 = ++ size 20 6 ++ text "Execute" ++ command "*execute_job 6 *monitor_job" ++ } ++ ++ popdown { ++ position 19 +8 ++ size 12 8 ++ text "CANCEL" ++ } ++} ++ ++ window { ++ parent mentat ++ origin 38 8 ++#ifdef DCOM ++ size 50 100 ++#else ++ size 50 94 ++#endif ++ background_color body ++ border_width 1 ++ border_color border ++ buffering single ++ } ++ mode permanent ++} ++ + #-------------------------------------------------------------------------------------------------- + popmenu job_exit_msg_pm { + diff --git a/src/Marc/include/concom2022.3 b/src/Marc/include/concom2022.3 new file mode 100644 index 000000000..2d4deaa34 --- /dev/null +++ b/src/Marc/include/concom2022.3 @@ -0,0 +1,466 @@ +! common block definition file taken from respective MSC.Marc release and reformated to free format +!*********************************************************************** +! +! File: concom.cmn +! +! MSC.Marc include file +! +integer & + iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva, idyn, idynt,& + ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,& + ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,& + ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,& + itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,& + lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,& + icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,& + isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,& + ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,& + ncycnt, marmen , idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,& + ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,& + imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,& + kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,& + iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,& + ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush, istream_input,& + iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,& + iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout, igena_meth,& + magf_meth, non_assumed, iredoboudry, ioffsz0,icomplt, mesh_dual, iactrp, mgnewton, iusedens,igsigd0,& + iaem, icosim, inodels, nlharm, iampini, iphasetr, inonlcl, inonlct, iforminp,ispecerror,& + icsprg, imol, imolt, idatafit,iharmpar, inclcase, imultifreq,init_elas, ifatig, iftgmat,& + nchybrid, ibuckle, iexpande +dimension :: ideva(60) +integer num_concom +parameter(num_concom=263) +common/marc_concom/& + iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva, idyn, idynt,& + ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,& + ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,& + ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,& + itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,& + lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,& + icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,& + isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,& + ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,& + ncycnt, marmen, idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,& + ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,& + imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,& + kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,& + iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,& + ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush, istream_input,& + iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,& + iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout, igena_meth,& + magf_meth, non_assumed, iredoboudry, ioffsz0,icomplt, mesh_dual, iactrp, mgnewton, iusedens,igsigd0,& + iaem, icosim, inodels, nlharm, iampini, iphasetr, inonlcl, inonlct, iforminp,ispecerror,& + icsprg, imol, imolt, idatafit,iharmpar, inclcase, imultifreq,init_elas, ifatig, iftgmat,& + nchybrid, ibuckle, iexpande +! +! comments of variables: +! +! iacous Control flag for acoustic analysis. Input data. +! iacous=1 modal acoustic analysis. +! iacous=2 harmonic acoustic-structural analysis. +! iasmbl Control flag to indicate that operator matrix should be +! recalculated. +! iautth Control flag for AUTO THERM option. +! ibear Control flag for bearing analysis. Input data. +! icompl Control variable to indicate that a complex analysis is +! being performed. Either a Harmonic analysis with damping, +! or a harmonic electro-magnetic analysis. Input data. +! iconj Flag for EBE conjugate gradient solver (=solver 1, retired) +! Also used for VKI iterative solver. +! icreep Control flag for creep analysis. Input data. +! ideva(60) - debug print out flag +! 1 print element stiffness matrices, mass matrix +! 2 output matrices used in tying +! 3 force the solution of a nonpositive definite matrix +! 4 print info of connections to each node +! 5 info of gap convergence, internal heat generated, contact +! touching and separation +! 6 nodal value array during rezoning +! 7 tying info in CONRAD GAP option, fluid element numbers in +! CHANNEL option +! 8 output incremental displacements in local coord. system +! 9 latent heat output +! 10 stress-strain in local coord. system +! 11 additional info on interlaminar stress +! 12 output right hand side and solution vector +! 13 info of CPU resources used and memory available on NT +! 14 info of mesh adaption process, 2D outline information +! info of penetration checking for remeshing +! save .fem files after afmesh3d meshing +! print local adaptivity info +! 15 surface energy balance flag +! 16 print info regarding pyrolysis +! 17 print info of "streamline topology" +! 18 print mesh data changes after remeshing +! 19 print material flow stress data read in from *.mat file +! if unit flag is on, print out flow stress after conversion +! 20 print information on table input +! 21 print out information regarding kinematic boundary conditions +! 22 print out information regarding dist loads, point loads, film +! and foundations +! 23 print out information about automatic domain decomposition +! 24 print out iteration information in SuperForm status report file +! 25 print out information for ablation +! 26 print out information for films - Table input +! 27 print out the tying forces +! 28 print out for CASI solver, convection, +! 29 DDM single file debug printout +! 30 print out cavity debug info +! 31 print out welding related info +! 32 prints categorized DDM memory usage +! 33 print out the cutting info regarding machining feature +! 34 print out the list of quantities which can be defined via a table +! and for each quantity the supported independent variables +! 35 print out detailed coupling region info +! 36 print out solver debug info level 1 (Least Detailed) +! 37 print out solver debug info level 1 (Medium Detailed) +! 38 print out solver debug info level 1 (Very Detailed) +! 39 print detailed memory allocation info +! 40 print out marc-adams debug info +! 41 output rezone mapping post file for debugging +! 42 output post file after calling oprofos() for debugging +! 43 debug printout for vcct +! 44 debug printout for progressive failure +! 45 print out automatically generated midside node coordinates (arecrd) +! 46 print out message about routine and location, where the ibort is raised (ibort_inc) +! 47 print out summary message of element variables on a +! group-basis after all the automatic changes have been +! made (em_ellibp) +! 48 Automatically generate check results based on max and min vals. +! These vals are stored in the checkr file, which is inserted +! into the *dat file by the generate_check_results script from /marc/tools +! 49 Automatically generate check results based on the real calculated values +! at the sppecified check result locations. +! These vals are stored in the checkr file, which is inserted +! into the *dat file by the update_check_results script from /marc/tools +! 50 generate a file containing the resistance or capacity matrix; +! this file can be used to compare results with a reference file +! 51 print out detailed information for segment-to-segment contact +! 52 print out detailed relative displacement information +! for uniaxial sliding contact +! 53 print out detailed sliding direction information for +! uniaxial sliding contact +! 54 print out detailed information for edges attached to a curve +! 55 print information related to viscoelasticity calculations +! 56 print out detailed information for element coloring for multithreading +! 57 print out extra overheads due to multi-threading. +! These overhead includes (i) time and (ii) memory. +! The memory report will be summed over all the children. +! 58 debug output for ELSTO usage +! 59 print out contact body forces and nodes in contact +! +! idyn Control flag for dynamics. Input data. +! 1 = eigenvalue extraction and / or modal superposition +! 2 = Newmark Beta and Single Step Houbolt (ssh with idynme=1) +! 3 = Houbolt +! 4 = Central difference +! 5 = Newer central difference +! idynt Copy of idyn at begining of increment +! ielas Control flag for ELASTIC analysis. Input data. +! Set by user or automatically turned on by Fourier option. +! Implies that each load case is treated separately. +! In Adaptive meshing analysis , forces re-analysis until +! convergence obtained. +! Also seriously misused to indicate no convergence. +! = 1 elastic option with fourier analysis +! = 2 elastic option without fourier analysis +! =-1 no convergence in recycles or max # increments reached +! Set to 1 if ELASTIC or SUBSTRUC parameter cards are used, +! or if fourier option is used. +! Then set to 2 if not fourier analysis. +! ielcma Control flag for electromagnetic analysis. Input data. +! ielcma = 1 Harmonic formulation +! ielcma = 2 Transient formulation +! ielect Control flag for electrostatic option. Input data. +! iform Control flag indicating that contact will be performed. +! ifour Control flag for Fourier analysis. +! 0 = Odd and even terms. +! 1 = symmetric (cosine) terms +! 2 = antisymmetric (sine) terms. +! iharm Control flag to indicate that a harmonic analysis will +! be performed. May change between passes. +! ihcps Control flag for coupled thermal - stress analysis. +! iheat Control flag for heat transfer analysis. Input data. +! iheatt Permanent control flag for heat transfer analysis. +! Note in coupled analysis iheatt will remain as one, +! but iheat will be zero in stress pass. +! ihresp Control flag to indicate to perform a harmonic subincrement. +! ijoule Control flag for Joule heating. +! ilem Control flag to determin which vector is to be transformed. +! Control flag to see where one is: +! ilem = 1 - elem.f +! ilem = 2 - initst.f +! ilem = 3 - pressr.f +! ilem = 3 - fstif.f +! ilem = 4 - jflux.f +! ilem = 4 - strass.f +! ilem = 5 - mass.f +! ilem = 5 - osolty.f +! ilnmom Control flag for soil - pore pressure calculation. Input data. +! ilnmom = 0 - perform only pore pressure calculation. +! = 1 - couples pore pressure - displacement analysis +! iloren Control flag for DeLorenzi J-Integral evaluation. Input data. +! inc Increment number. +! incext Control flag indicating that currently working on a +! subincrement. +! Could be due to harmonics , damping component (bearing), +! stiffness component (bearing), auto therm creep or +! old viscoplaticity +! incsub Sub-increment number. +! inonlcl control flag for nonlocal pass +! inonlct permanent control flag for nonlocal pass +! ipass Control flag for which part of coupled analysis. +! ipass = -1 - reset to base values +! ipass = 0 - do nothing +! ipass = 1 - stress part +! ipass = 2 - heat transfer part +! 3 - fluid pass +! 4 - joule heating pass +! 5 - pore pressure pass +! 6 - electrostatic pass +! 7 - magnetostatic pass +! 8 - electromagnetic pass +! 9 - diffusion pass +! ipass = 10 - nonlocal part +! iplres Flag indicating that either second matrix is stored. +! dynamic analysis - mass matrix +! heat transfer - specific heat matrix +! buckle - initial stress stiffness +! ipois Control flag indicating Poisson type analysis +! ipois = 1 for heat transfer +! = 1 for heat transfer part of coupled +! = 1 for bearing +! = 1 for electrostatic +! = 1 for magnetostatic +! = 1 for nonlocal part +! ipoist Permanent copy of ipois. In coupled analysis , ipois = 0 +! in stress portion, yet ipoist will still =1. +! irpflo global flag for rigid plastic flow analysis +! = 1 eularian formulation +! = 2 regular formulation; rigid material present in the analysis +! ismall control flag to indicate small displacement analysis. input data. +! ismall = 0 - large disp included. +! ismall = 1 - small displacement. +! the flag is changing between passes. +! ismalt permanent copy of ismall . in heat transfer portion of +! coupled analysis ismall =0 , but ismalt remains the same. +! isoil control flag indicating that soil / pore pressure +! calculation . input data. +! ispect control flag for response spectrum calculation. input data. +! ispnow control flag to indicate to perform a spectrum response +! calculation now. +! istore store stresses flag. +! istore = 0 in elem.f and if first pass of creep +! convergence checking in ogetst.f +! or harmonic analysis or thruc.f if not +! converged. +! iswep control flag for eigenvalue analysis. +! iswep=1 - go do extraction process +! ithcrp control flag for auto therm creep option. input data. +! itherm control flag for either temperature dependent material +! properties and/or thermal loads. +! iupblg control flag for follower force option. input data. +! iupdat control flag for update lagrange option for current element. +! jacflg control flag for lanczos iteration method. input data. +! jel control flag indicating that total load applied in +! increment, ignore previous solution. +! jel = 1 in increment 0 +! = 1 if elastic or fourier +! = 1 in subincrements with elastic and adaptive +! jparks control flag for j integral by parks method. input data. +! largst control flag for finite strain plasticity. input data. +! lfond control variable that indicates if doing elastic +! foundation or film calculation. influences whether +! this is volumetric or surface integration. +! loadup control flag that indicates that nonlinearity occurred +! during previous increment. +! loaduq control flag that indicates that nonlinearity occurred. +! lodcor control flag for switching on the residual load correction. +! notice in input stage lodcor=0 means no loadcor, +! after omarc lodcor=1 means no loadcor +! lovl control flag for determining which "overlay" is to +! be called from ellib. +! lovl = 1 omarc +! = 2 oaread +! = 3 opress +! = 4 oasemb +! = 5 osolty +! = 6 ogetst +! = 7 oscinc +! = 8 odynam +! = 9 opmesh +! = 10 omesh2 +! = 11 osetz +! = 12 oass +! = 13 oincdt +! = 14 oasmas +! = 15 ofluas +! = 16 ofluso +! = 17 oshtra +! = 18 ocass +! = 19 osoltc +! = 20 orezon +! = 21 otest +! = 22 oeigen +! lsub control variable to determine which part of element +! assembly function is being done. +! lsub = 1 - no longer used +! = 2 - beta* +! = 3 - cons* +! = 4 - ldef* +! = 5 - posw* +! = 6 - theta* +! = 7 - tmarx* +! = 8 - geom* +! magnet control flag for magnetostatic analysis. input data. +! ncycle cycle number. accumulated in osolty.f +! note first time through oasemb.f , ncycle = 0. +! newtnt control flag for permanent copy of newton. +! newton iteration type. input data. +! newton : = 1 full newton raphson +! 2 modified newton raphson +! 3 newton raphson with strain correct. +! 4 direct substitution +! 5 direct substitution followed by n.r. +! 6 direct substitution with line search +! 7 full newton raphson with secant initial stress +! 8 secant method +! 9 full newton raphson with line search +! noshr control flag for calculation interlaminar shears for +! elements 22,45, and 75. input data. +!ees +! +! jactch = 1 or 2 if elements are activated or deactivated +! = 3 if elements are adaptively remeshed or rezoned +! = 0 normally / reset to 0 when assembly is done +! ifricsh = 0 call to fricsh in otest not needed +! = 1 call to fricsh (nodal friction) in otest needed +! iremkin = 0 remove deactivated kinematic boundary conditions +! immediately - only in new input format (this is default) +! = 1 remove deactivated kinematic boundary conditions +! gradually - only in new input format +! iremfor = 0 remove force boundary conditions immediately - +! only in new input format (this is default) +! = 1 remove force boundary conditions gradually - +! only in new input format (this is default) +! ishearp set to 1 if shear panel elements are present in the model +! +! jspf = 0 not in spf loadcase +! > 0 in spf loadcase (jspf=1 during first increment) +! machining = 1 if the metal cutting feature is used, for memory allocation purpose +! = 0 (default) if no metal cutting feature required +! +! jlshell = 1 if there is a shell element in the mesh +! icompsol = 1 if there is a composite solid element in the mesh +! iupblgfo = 1 if follower force for point loads +! jcondir = 1 if contact priority option is used +! nstcrp = 0 (default) steady state creep flag (undocumented feature. +! if not 0, turns off special ncycle = 0 code in radial.f) +! nactive = number of active passes, if =1 then it's not a coupled analysis +! ipassref = reference ipass, if not in a multiphysics pass ipass=ipassref +! icheckmpc = value of mpc-check parameter option +! noline = set to 1 in osolty if no line seacrh should be done in ogetst +! icuring = set to 1 if the curing is included for the heat transfer analysis. +! ishrink = set to 1 if shrinkage strain is included for mechancial analysis. +! ioffsflg = 1 for small displacement beam/shell offsets +! = 2 for large displacement beam/shell offsets +! isetoff = 0 - do not apply beam/shell offsets +! = 1 - apply beam/shell offsets +! ioffsetm = min. value of offset flag +! iharmt = 1 global flag if a coupled analysis contains an harmonic pass +! inc_incdat = flag to record increment number of a new loadcase in incdat.f +! iautspc = flag for AutoSPC option +! ibrake = brake squeal in this increment +! icbush = set to 1 if cbush elements present in model +! istream_input = set to 1 for streaming input calling Marc as library +! iprsinp = set to 1 if pressure input, introduced so other variables +! such as h could be a function of pressure +! ivlsinp = set to 1 if velocity input, introduced so other variables +! such as h could be a function of velocity +! ipin_m = # of beam element with PIN flag +! jgnstr_glb = global control over pre or fast integrated composite shells +! imarc_return = Marc return flag for streaming input control +! iqvcimp = if non-zero, then the number of QVECT boundary conditions +! nqvceid = number of QVECT boundary conditions, where emisivity/absorbtion id entered +! istpnx = 1 if to stop at end of increment +! imicro1 = 1 if micro1 interface is used +! iaxisymm = set to 1 if axisymmetric analysis +! jbreakglue = set to 1 if breaking glued option is used +! iglstif = 1 if ddm and global stiffness matrix formed (sgi solver 6 or solver9) +! jfastasm = 1 do fast assembly using SuperForm code +! iwear = set to 1 if wear model, set to 2 if wear model and coordinates updated +! iwearcf = set to 1 to store nodal coefficient of friction for wear calculation +! imixmeth = set=1 then use nonlinear mixture material - allocate memory +! ielcmadyn = flag for magnetodynamics +! 0 - electromagnetics using newmark beta +! 1 - transient magnetics using backward euler +! idinout = flag to control if inside out elements should be deactivated +! igena_meth = 0 - generalized alpha parameters depend on whether or not contact +! is flagged (dynamic,7) +! 10 - generalized alpha parameters are optimized for a contact +! analysis (dynamic,8) +! 11 - generalized alpha parameters are optimized for an analysis +! without contact (dynamic,8) +! magf_meth = - Method to compute force in magnetostatic - structural +! = 1 - Virtual work method based on finite difference for the force computation +! = 2 - Maxwell stress tensor +! = 3 - Virtual work method based on local derivative for the force computation +! non_assumed = 1 no assumed strain formulation (forced) +! iredoboudry set to 1 if contact boundary needs to be recalculated +! ioffsz0 = 1 if composite are used with reference position.ne.0 +! icomplt = 1 global flag if a coupled analysis contains an complex pass +! mesh_dual = 1 two independent meshes are used in magnetodynamic/thermal/structural +! one for magnetodynamic and the other for the remaining passes +! iactrp = 1 in an analysis with global remeshing, include inactive +! rigid bodies on post file +! mgnewton = 1 Use full Newton Raphson iteration for magnetostatic pass +! +! iusedens > 0 if mass density is used in the analysis (dynamics, mass dependent loading) +! igsigd0 = 1 set varselem(igsigd) to zero in next oasemb +! iaem = 1 if marc is called from aem (0 - off - default) +! icosim = 1 if marc is used in co-simulation analysis with ADAMS using the CosimEngine +! = 2 if marc is used in co-simulation analysis with ADAMS using the ACSI interface +! = 3 if marc is used in co-simulation analysis with scFLOW using the CosimEngine +! = 4 if marc is used in co-simulation analysis with scFLOW and ADAMS using the CosimEngine +! inodels = 1 nodal integration elements 239/240/241 present +! nlharm = 0 harmonic subincrements are linear +! = 1 harmonic subincrements are nonlinear +! iampini = 0 amplitude of previous harmonic subinc is initial estimate (default) +! = 1 zero amplitude is initial estimate +! iphasetr = 1 phase transformation material model is used +! iforminp flag indicating that contact is switched on via the CONTACT +! option in the input file (as opposed to the case that contact +! is switched on internally due to cyclic symmetry or model +! section creation) +! ispecerror = a+10*b (only for spectrum response analysis with missing mass option) +! a=0 or a=1 (modal shape with non-zero shift) +! b=0 or b=1 (recover with new assembly of stiffness matrix) +! icsprg = set to 1 if spring elements present in model +! imol Control flag for molecualr diffusion pass +! imolt Permanent control flag for molecualr diffusion pass +! Note in coupled analysis imolt will remain as one, +! but imol will be zero in stress pass or thermal pass. +! idatafit = run Marc to fit parameters +! iharmpar = 1 if harmonic parameter option is used +! inclcase load case increment use for cyclic plasticity data fitting +! imultifreq flag to indicate how many harmonic magnetodynamic passes are computed in coupled +! magnetodynamic/thermal(/structural) analyses. +! 0 or 1 one pass 2 two passes 3 or more is not supported +! init_elas use elastic stress-strain law as the material tangent for +! the first cycle of an increment +! ifatig packed integer telling which fatigue mode is active +! 1 = elastomer +! 10 = stress-life +! 100 = strain-life +! = 2 strain-life fatigue +! iftgmat = 0 no fatigue material properties in the dat file +! = 1 fatigue material properties in the dat file +! nchybrid cycle count used for hybrid contact; meant to force an extra iteration +! if the overlap for a node in hybrid contact is too large +! ibuckle buckle parameter option is active +! iexpande set to 1 if expanded elements (248, 249, 250 or 251) are +! present, 0 otherwise +! +!*********************************************************************** +!$omp threadprivate(/marc_concom/) +!! diff --git a/src/Marc/include/creeps2022.3 b/src/Marc/include/creeps2022.3 new file mode 100644 index 000000000..b35d2b6bf --- /dev/null +++ b/src/Marc/include/creeps2022.3 @@ -0,0 +1,73 @@ +! common block definition file taken from respective MSC.Marc release and reformated to free format +!*********************************************************************** +! +! File: creeps.cmn +! +! MSC.Marc include file +! +real(pReal) cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b +integer icfte,icfst,icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,& + icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa +real(pReal) time_beg_lcase,time_beg_inc,fractol,time_beg_pst +real(pReal) fraction_donn,timinc_ol2 +! +integer num_creepsr,num_creepsi,num_creeps2r,ncrp_arry +parameter(num_creepsr=7) +parameter(num_creepsi=17) +parameter(num_creeps2r=6) +parameter(ncrp_arry=7) +common/marc_creeps/cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b,icfte,icfst,& + icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa +common/marc_creeps2/time_beg_lcase,time_beg_inc,fractol,time_beg_pst,fraction_donn,timinc_ol2 +! +! cptim Total time at begining of increment. +! timinc Incremental time for this step. +! icfte Local copy number of slopes of creep strain rate function +! versus temperature. Is -1 if exponent law used. +! icfst Local copy number of slopes of creep strain rate function +! versus equivalent stress. Is -1 if exponent law used. +! icfeq Local copy number of slopes of creep strain rate function +! versus equivalent strain. Is -1 if exponent law used. +! icftm Local copy number of slopes of creep strain rate function +! versus time. Is -1 if exponent law used. +! icetem Element number that needs to be checked for creep convergence +! or, if negative, the number of elements that need to +! be checked. In the latter case the elements to check +! are stored in ielcp. +! mcreep Maximum nuber of iterations for explicit creep. +! jcreep Counter of number of iterations for explicit creep +! procedure. jcreep must be .le. mcreep +! icpa(1-6) Pointer to constants in creep strain rate expression. +! icftmp Pointer to temperature dependent creep strain rate data. +! icfstr Pointer to equivalent stress dependent creep strain rate data. +! icfqcp Pointer to equivalent creep strain dependent creep strain +! rate data. +! icfcpm Pointer to equivalent creep strain rate dependent +! creep strain rate data. +! icrppr Permanent copy of icreep +! icrcha Control flag for creep convergence checking , if set to +! 1 then testing on absolute change in stress and creep +! strain, not relative testing. Input data. +! icpb(1-4) Pointer to storage of material id cross reference numbers. +! iicpmt creep law type ID +! =1 - power law +! =2 - solder +! =3 - steady-creep +! =4 - hyperbolic steady-creep +! iicpa Pointer to table IDs for constants in creep strain rate +! expression +! +! +! time_beg_lcase time at the beginning of the current load case +! time_beg_inc time at the beginning of the current increment +! fractol fraction of loadcase or increment time when we +! consider it to be finished +! time_beg_pst time corresponding to first increment to be +! read in from thermal post file for auto step +! +! timinc_old Time step of the previous increment +! +!*********************************************************************** +!!$omp threadprivate(/marc_creeps/) +!!$omp threadprivate(/marc_creeps2/) +!! From 42e0bf86895112b0fecb748be639e2a4c7e5a6bd Mon Sep 17 00:00:00 2001 From: Franz Roters Date: Thu, 24 Nov 2022 12:16:06 +0100 Subject: [PATCH 2/5] use Marc2022.3 for testing --- .gitlab-ci.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index 2dd33b072..d40cc1d75 100644 --- a/.gitlab-ci.yml +++ b/.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/2022.2" + MSC: "FEM/MSC/2022.3" IntelMarc: "Compiler/Intel/19.1.2 Libraries/IMKL/2020" HDF5Marc: "HDF5/1.12.2/Intel-19.1.2" From cfcb16be43c2d5b12fa55dc51f7aef55831f8f98 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Mon, 28 Nov 2022 09:11:34 +0100 Subject: [PATCH 3/5] easier to find in flat layout --- processing/{pre => }/mentat_pbcOnBoxMesh.py | 0 processing/{pre => }/mentat_spectralBox.py | 0 2 files changed, 0 insertions(+), 0 deletions(-) rename processing/{pre => }/mentat_pbcOnBoxMesh.py (100%) rename processing/{pre => }/mentat_spectralBox.py (100%) diff --git a/processing/pre/mentat_pbcOnBoxMesh.py b/processing/mentat_pbcOnBoxMesh.py similarity index 100% rename from processing/pre/mentat_pbcOnBoxMesh.py rename to processing/mentat_pbcOnBoxMesh.py diff --git a/processing/pre/mentat_spectralBox.py b/processing/mentat_spectralBox.py similarity index 100% rename from processing/pre/mentat_spectralBox.py rename to processing/mentat_spectralBox.py From 20f984fc87ec7d04517b94970d29fdad7b7a2169 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Mon, 28 Nov 2022 09:12:34 +0100 Subject: [PATCH 4/5] adopt to new location --- .gitattributes | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.gitattributes b/.gitattributes index 6bc316a77..9d1380127 100644 --- a/.gitattributes +++ b/.gitattributes @@ -14,7 +14,7 @@ # ignore files from MSC.Marc in language statistics install/MarcMentat/** linguist-vendored src/Marc/include/* linguist-vendored -install/MarcMentat/apply_DAMASK_modifications.py linguist-vendored=false +install/MarcMentat/MSC_modifications.py linguist-vendored=false # ignore reference files for tests in language statistics python/tests/reference/** linguist-vendored From 03a81b81e86d9212fdd4871b78ab661442a8fcc5 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Mon, 28 Nov 2022 09:21:47 +0100 Subject: [PATCH 5/5] adopting to Python standards --- processing/mentat_pbcOnBoxMesh.py | 374 +++++++++++++++--------------- processing/mentat_spectralBox.py | 16 +- 2 files changed, 195 insertions(+), 195 deletions(-) diff --git a/processing/mentat_pbcOnBoxMesh.py b/processing/mentat_pbcOnBoxMesh.py index 1cf18eeda..3eedacb7d 100755 --- a/processing/mentat_pbcOnBoxMesh.py +++ b/processing/mentat_pbcOnBoxMesh.py @@ -11,195 +11,195 @@ import numpy as np import damask -scriptName = os.path.splitext(os.path.basename(__file__))[0] -scriptID = ' '.join([scriptName,damask.version]) +script_name = os.path.splitext(os.path.basename(__file__))[0] +script_id = ' '.join([script_name,damask.version]) # Convert .mfd file into a usable format # Broken into labeled sections (eg. nodes, links, etc) # Each section has a list of labeled elements with formatted numerical data def parseMFD(dat): - formatted = [] - section = 0 - formatted.append({'label': 'header', 'uid': -1, 'els': []}) - # in between =beg= and =end= part of file - in_block = False - for line in dat: - if in_block: # currently in a section - # lines that start with a space are numerical data - if line[0] == ' ': - formatted[section]['els'].append([]) + formatted = [] + section = 0 + formatted.append({'label': 'header', 'uid': -1, 'els': []}) + # in between =beg= and =end= part of file + in_block = False + for line in dat: + if in_block: # currently in a section + # lines that start with a space are numerical data + if line[0] == ' ': + formatted[section]['els'].append([]) - # grab numbers - nums = re.split(r'\s+', line.strip()) + # grab numbers + nums = re.split(r'\s+', line.strip()) - for num in nums: - # floating point has format ' -x.xxxxxxxxxxxxe+yy' - # scientific notation is used for float - if (len(num) >= 4) and (num[-4] == 'e'): - formatted[section]['els'][-1].append(float(num)) - else: # integer - formatted[section]['els'][-1].append(int(num)) - else: # not numerical data, so it is a label for an element or section end - if line[0] == '=' and re.search(r'=end=$', line) is not None: # End of section, avoiding regex if possible - in_block = False - else: - formatted[section]['els'].append([]) - formatted[section]['els'][-1] = line + for num in nums: + # floating point has format ' -x.xxxxxxxxxxxxe+yy' + # scientific notation is used for float + if (len(num) >= 4) and (num[-4] == 'e'): + formatted[section]['els'][-1].append(float(num)) + else: # integer + formatted[section]['els'][-1].append(int(num)) + else: # not numerical data, so it is a label for an element or section end + if line[0] == '=' and re.search(r'=end=$', line) is not None: # End of section, avoiding regex if possible + in_block = False + else: + formatted[section]['els'].append([]) + formatted[section]['els'][-1] = line - else: # Not in a section, we are looking for a =beg= now - search = re.search(r'=beg=\s+(\d+)\s\((.*?)\)', line) - if search is not None: # found start of a new section - section += 1 - in_block = True - formatted.append({'label': search.group(2), 'uid': int(search.group(1)), 'els': []}) - else: # No =beg= found, probably in the header - # Either header or somthing we didn't plan for - just save the line so it isn't lost - if formatted[section]['uid'] > 0: - section += 1 - formatted.append({'label': '', 'uid': -2, 'els': []}) # make dummy section to store unrecognized data - formatted[section]['els'].append(line) + else: # Not in a section, we are looking for a =beg= now + search = re.search(r'=beg=\s+(\d+)\s\((.*?)\)', line) + if search is not None: # found start of a new section + section += 1 + in_block = True + formatted.append({'label': search.group(2), 'uid': int(search.group(1)), 'els': []}) + else: # No =beg= found, probably in the header + # Either header or somthing we didn't plan for - just save the line so it isn't lost + if formatted[section]['uid'] > 0: + section += 1 + formatted.append({'label': '', 'uid': -2, 'els': []}) # make dummy section to store unrecognized data + formatted[section]['els'].append(line) - return formatted + return formatted def asMFD(mfd_data): - result = '' - for section in mfd_data: - if section['uid'] > 0: - result += '=beg={0:5d} ({1})\n'.format(section['uid'], section['label']) - for el in section['els']: - if type(el) == str: - result += el - elif type(el) == list: - for num in el: - if type(num) == int: - result += '{:20d}'.format(num) - elif type(num) == float: - result += '{:20.12e}'.format(num) - else: - print(f'WARNING: encountered unknown type: {type(el)}') - result += '\n' - else: - print(f'WARNING: encountered unknown type: {type(el)}') - if section['uid'] > 0: - result += '=end=\n' - return result.strip() + result = '' + for section in mfd_data: + if section['uid'] > 0: + result += '=beg={0:5d} ({1})\n'.format(section['uid'], section['label']) + for el in section['els']: + if type(el) == str: + result += el + elif type(el) == list: + for num in el: + if type(num) == int: + result += '{:20d}'.format(num) + elif type(num) == float: + result += '{:20.12e}'.format(num) + else: + print(f'WARNING: encountered unknown type: {type(el)}') + result += '\n' + else: + print(f'WARNING: encountered unknown type: {type(el)}') + if section['uid'] > 0: + result += '=end=\n' + return result.strip() def add_servoLinks(mfd_data,active=[True,True,True]): # directions on which to add PBC - base = ['x','y','z'] - box = {'min': np.zeros(3,dtype='d'), - 'max': np.zeros(3,dtype='d'), - 'delta': np.zeros(3,dtype='d'), - } + base = ['x','y','z'] + box = {'min': np.zeros(3,dtype='d'), + 'max': np.zeros(3,dtype='d'), + 'delta': np.zeros(3,dtype='d'), + } - mfd_dict = {} - for i in range(len(mfd_data)): - mfd_dict[mfd_data[i]['label']] = i + mfd_dict = {} + for i in range(len(mfd_data)): + mfd_dict[mfd_data[i]['label']] = i - NodeCoords = np.array(mfd_data[mfd_dict['nodes']]['els'][1::4])[:,1:4] - Nnodes = NodeCoords.shape[0] + NodeCoords = np.array(mfd_data[mfd_dict['nodes']]['els'][1::4])[:,1:4] + Nnodes = NodeCoords.shape[0] - box['min'] = NodeCoords.min(axis=0) # find the bounding box - box['max'] = NodeCoords.max(axis=0) - box['delta'] = box['max']-box['min'] - for coord in range(3): # calc the dimension of the bounding box - if box['delta'][coord] != 0.0: - for extremum in ['min','max']: - rounded = round(box[extremum][coord]*1e+15/box['delta'][coord]) * \ - 1e-15*box['delta'][coord] # rounding to 1e-15 of dimension - box[extremum][coord] = 0.0 if rounded == 0.0 else rounded # get rid of -0.0 (negative zeros) - baseNode = {} - linkNodes = [] + box['min'] = NodeCoords.min(axis=0) # find the bounding box + box['max'] = NodeCoords.max(axis=0) + box['delta'] = box['max']-box['min'] + for coord in range(3): # calc the dimension of the bounding box + if box['delta'][coord] != 0.0: + for extremum in ['min','max']: + rounded = round(box[extremum][coord]*1e+15/box['delta'][coord]) * \ + 1e-15*box['delta'][coord] # rounding to 1e-15 of dimension + box[extremum][coord] = 0.0 if rounded == 0.0 else rounded # get rid of -0.0 (negative zeros) + baseNode = {} + linkNodes = [] #------------------------------------------------------------------------------------------------- # loop over all nodes - for node in range(Nnodes): - key = {} - maxFlag = [False, False, False] - Nmax = 0 - Nmin = 0 - for coord in range(3): # for each direction - if box['delta'][coord] != 0.0: - rounded = round(NodeCoords[node,coord]*1e+15/box['delta'][coord]) * \ - 1e-15*box['delta'][coord] # rounding to 1e-15 of dimension - NodeCoords[node,coord] = 0.0 if rounded == 0.0 else rounded # get rid of -0.0 (negative zeros) - key[base[coord]] = "%.8e"%NodeCoords[node,coord] # translate position to string - if (key[base[coord]] == "%.8e"%box['min'][coord]): # compare to min of bounding box (i.e. is on outer face?) - Nmin += 1 # count outer (back) face membership - elif (key[base[coord]] == "%.8e"%box['max'][coord]): # compare to max of bounding box (i.e. is on outer face?) - Nmax += 1 # count outer (front) face membership - maxFlag[coord] = True # remember face membership (for linked nodes) + for node in range(Nnodes): + key = {} + maxFlag = [False, False, False] + Nmax = 0 + Nmin = 0 + for coord in range(3): # for each direction + if box['delta'][coord] != 0.0: + rounded = round(NodeCoords[node,coord]*1e+15/box['delta'][coord]) * \ + 1e-15*box['delta'][coord] # rounding to 1e-15 of dimension + NodeCoords[node,coord] = 0.0 if rounded == 0.0 else rounded # get rid of -0.0 (negative zeros) + key[base[coord]] = "%.8e"%NodeCoords[node,coord] # translate position to string + if (key[base[coord]] == "%.8e"%box['min'][coord]): # compare to min of bounding box (i.e. is on outer face?) + Nmin += 1 # count outer (back) face membership + elif (key[base[coord]] == "%.8e"%box['max'][coord]): # compare to max of bounding box (i.e. is on outer face?) + Nmax += 1 # count outer (front) face membership + maxFlag[coord] = True # remember face membership (for linked nodes) - if Nmin > 0: # node is on a back face - # prepare for any non-existing entries in the data structure - if key['x'] not in baseNode.keys(): - baseNode[key['x']] = {} - if key['y'] not in baseNode[key['x']].keys(): - baseNode[key['x']][key['y']] = {} - if key['z'] not in baseNode[key['x']][key['y']].keys(): - baseNode[key['x']][key['y']][key['z']] = 0 + if Nmin > 0: # node is on a back face + # prepare for any non-existing entries in the data structure + if key['x'] not in baseNode.keys(): + baseNode[key['x']] = {} + if key['y'] not in baseNode[key['x']].keys(): + baseNode[key['x']][key['y']] = {} + if key['z'] not in baseNode[key['x']][key['y']].keys(): + baseNode[key['x']][key['y']][key['z']] = 0 - baseNode[key['x']][key['y']][key['z']] = node+1 # remember the base node id + baseNode[key['x']][key['y']][key['z']] = node+1 # remember the base node id - if Nmax > 0 and Nmax >= Nmin: # node is on at least as many front than back faces - if any([maxFlag[i] and active[i] for i in range(3)]): - linkNodes.append({'id': node+1,'coord': NodeCoords[node], 'faceMember': [maxFlag[i] and active[i] for i in range(3)]}) + if Nmax > 0 and Nmax >= Nmin: # node is on at least as many front than back faces + if any([maxFlag[i] and active[i] for i in range(3)]): + linkNodes.append({'id':node+1,'coord':NodeCoords[node],'faceMember':[maxFlag[i] and active[i] for i in range(3)]}) - mfd_data[mfd_dict['entities']]['els'][0][0] += len(linkNodes) * 3 + mfd_data[mfd_dict['entities']]['els'][0][0] += len(linkNodes) * 3 - baseCorner = baseNode["%.8e"%box['min'][0]]["%.8e"%box['min'][1]]["%.8e"%box['min'][2]] # detect ultimate base node + baseCorner = baseNode["%.8e"%box['min'][0]]["%.8e"%box['min'][1]]["%.8e"%box['min'][2]] # detect ultimate base node - links = {'uid': 1705, 'label': 'links', 'els': [[7,0],[9,0]]} - linkID = 0 - for node in linkNodes: # loop over all linked nodes - linkCoord = [node['coord']] # start list of control node coords with my coords - for dir in range(3): # check for each direction - if node['faceMember'][dir]: # me on this front face - linkCoord[0][dir] = box['min'][dir] # project me onto rear face along dir - linkCoord.append(np.array(box['min'])) # append base corner - linkCoord[-1][dir] = box['max'][dir] # stretch it to corresponding control leg of "dir" + links = {'uid': 1705, 'label': 'links', 'els': [[7,0],[9,0]]} + linkID = 0 + for node in linkNodes: # loop over all linked nodes + linkCoord = [node['coord']] # start list of control node coords with my coords + for dir in range(3): # check for each direction + if node['faceMember'][dir]: # me on this front face + linkCoord[0][dir] = box['min'][dir] # project me onto rear face along dir + linkCoord.append(np.array(box['min'])) # append base corner + linkCoord[-1][dir] = box['max'][dir] # stretch it to corresponding control leg of "dir" - nLinks = len(linkCoord) - for dof in [1,2,3]: - tied_node = node['id'] - nterms = 1 + nLinks + nLinks = len(linkCoord) + for dof in [1,2,3]: + tied_node = node['id'] + nterms = 1 + nLinks - linkID += 1 - # Link header - links['els'].append('link{0}\n'.format(linkID)) - links['els'].append([linkID, 1]) - links['els'].append([0]) - links['els'].append([0]) - links['els'].append([0, 0, 0, tied_node]) + linkID += 1 + # Link header + links['els'].append('link{0}\n'.format(linkID)) + links['els'].append([linkID, 1]) + links['els'].append([0]) + links['els'].append([0]) + links['els'].append([0, 0, 0, tied_node]) - # these need to be put in groups of four - link_payload = [dof, 0, nterms] + # these need to be put in groups of four + link_payload = [dof, 0, nterms] - # Individual node contributions (node, dof, coef.) - for i in range(nterms): - if i == nLinks: - link_payload.append(baseCorner) - else: - link_payload.append(baseNode["%.8e"%linkCoord[i][0]]["%.8e"%linkCoord[i][1]]["%.8e"%linkCoord[i][2]]) - for i in range(nterms): - link_payload.append(dof) - for i in range(nterms): - if i == nLinks: - link_payload.append(1.0 - nLinks) - else: - link_payload.append(1.0) + # Individual node contributions (node, dof, coef.) + for i in range(nterms): + if i == nLinks: + link_payload.append(baseCorner) + else: + link_payload.append(baseNode["%.8e"%linkCoord[i][0]]["%.8e"%linkCoord[i][1]]["%.8e"%linkCoord[i][2]]) + for i in range(nterms): + link_payload.append(dof) + for i in range(nterms): + if i == nLinks: + link_payload.append(1.0 - nLinks) + else: + link_payload.append(1.0) - # Needs to be formatted 4 data points per row, character width of 20, so 80 total - for j in range(0, len(link_payload), 4): - links['els'].append(link_payload[j:j+4]) - if j+4 < len(link_payload): - links['els'].append(link_payload[j+4:]) + # Needs to be formatted 4 data points per row, character width of 20, so 80 total + for j in range(0, len(link_payload), 4): + links['els'].append(link_payload[j:j+4]) + if j+4 < len(link_payload): + links['els'].append(link_payload[j+4:]) - i = 0 - while i < len(mfd_data) and mfd_data[i]['uid'] < 1705: i += 1 + i = 0 + while i < len(mfd_data) and mfd_data[i]['uid'] < 1705: i += 1 - if mfd_data[i]['uid'] == 1705: del mfd_data[i] - mfd_data.insert(i, links) + if mfd_data[i]['uid'] == 1705: del mfd_data[i] + mfd_data.insert(i, links) #-------------------------------------------------------------------------------------------------- @@ -209,54 +209,54 @@ def add_servoLinks(mfd_data,active=[True,True,True]): # directions on which to parser = OptionParser(usage='%prog options [file[s]]', description = """ Set up servo linking to achieve periodic boundary conditions for a regular hexahedral mesh. Use *py_connection to operate on model presently opened in MSC.Mentat. -""", version = scriptID) +""", version = script_id) parser.add_option('-p', '--port', - type = int, metavar = 'int', default = None, - help = 'Mentat connection port') + type = int, metavar = 'int', default = None, + help = 'Mentat connection port') parser.add_option('-x', - action = 'store_false', default = True, - help = 'no PBC along x direction') + action = 'store_false', default = True, + help = 'no PBC along x direction') parser.add_option('-y', - action = 'store_false', default = True, - help = 'no PBC along y direction') + action = 'store_false', default = True, + help = 'no PBC along y direction') parser.add_option('-z', - action = 'store_false', default = True, - help = 'no PBC along z direction') + action = 'store_false', default = True, + help = 'no PBC along z direction') (options, filenames) = parser.parse_args() remote = options.port is not None if remote and filenames != []: - parser.error('file can not be specified when port is given.') + parser.error('file can not be specified when port is given.') if filenames == []: filenames = [None] if remote: - sys.path.append(str(damask.solver.Marc().library_path)) - import py_mentat + sys.path.append(str(damask.solver.Marc().library_path)) + import py_mentat - print(scriptName+': waiting to connect...') - filenames = [os.path.join(tempfile._get_default_tempdir(), next(tempfile._get_candidate_names()) + '.mfd')] - try: - py_mentat.py_connect('',options.port) - py_mentat.py_send('*set_save_formatted on') - py_mentat.py_send('*save_as_model "{}" yes'.format(filenames[0])) - py_mentat.py_get_int("nnodes()") - except py_mentat.InputError as err: - print(f'{err}. Try Tools/Python/"Run as Separate Process" & "Initiate".') - sys.exit(-1) - print( 'connected...') + print(script_name+': waiting to connect...') + filenames = [os.path.join(tempfile._get_default_tempdir(), next(tempfile._get_candidate_names()) + '.mfd')] + try: + py_mentat.py_connect('',options.port) + py_mentat.py_send('*set_save_formatted on') + py_mentat.py_send('*save_as_model "{}" yes'.format(filenames[0])) + py_mentat.py_get_int("nnodes()") + except py_mentat.InputError as err: + print(f'{err}. Try Tools/Python/"Run as Separate Process" & "Initiate".') + sys.exit(-1) + print( 'connected...') for name in filenames: - while remote and not os.path.exists(name): time.sleep(0.5) - with open( name,'r') if name is not None else sys.stdin as fileIn: - print(scriptName+': '+name) - mfd = parseMFD(fileIn) + while remote and not os.path.exists(name): time.sleep(0.5) + with open( name,'r') if name is not None else sys.stdin as file_in: + print(script_name+': '+name) + mfd = parseMFD(file_in) - add_servoLinks(mfd,[options.x,options.y,options.z]) - with open( name,'w') if name is not None else sys.stdout as fileOut: - fileOut.write(asMFD(mfd)) + add_servoLinks(mfd,[options.x,options.y,options.z]) + with open( name,'w') if name is not None else sys.stdout as file_out: + file_out.write(asMFD(mfd)) if remote: - py_mentat.py_send('*open_model "{}"'.format(filenames[0])) + py_mentat.py_send('*open_model "{}"'.format(filenames[0])) diff --git a/processing/mentat_spectralBox.py b/processing/mentat_spectralBox.py index 72206a8f4..de6307469 100755 --- a/processing/mentat_spectralBox.py +++ b/processing/mentat_spectralBox.py @@ -7,8 +7,8 @@ from optparse import OptionParser import damask -scriptName = os.path.splitext(os.path.basename(__file__))[0] -scriptID = ' '.join([scriptName,damask.version]) +script_name = os.path.splitext(os.path.basename(__file__))[0] +script_id = ' '.join([script_name,damask.version]) #------------------------------------------------------------------------------------------------- def outMentat(cmd,locals): @@ -45,7 +45,7 @@ def output(cmds,locals,dest): #------------------------------------------------------------------------------------------------- def init(): return [ - "|"+' '.join([scriptID] + sys.argv[1:]), + "|"+' '.join([script_id] + sys.argv[1:]), "*draw_manual", # prevent redrawing in Mentat, should be much faster "*new_model yes", "*reset", @@ -170,7 +170,7 @@ def initial_conditions(material): parser = OptionParser(usage='%prog options [file[s]]', description = """ Generate MSC.Marc FE hexahedral mesh from geom file. -""", version = scriptID) +""", version = script_id) parser.add_option('-p', '--port', dest = 'port', @@ -194,7 +194,7 @@ if options.port is not None: if filenames == []: filenames = [None] for name in filenames: - print(scriptName+': '+name) + print(script_name+': '+name) geom = damask.Grid.load(StringIO(''.join(sys.stdin.read())) if name is None else name) material = geom.material.flatten(order='F') @@ -211,11 +211,11 @@ for name in filenames: '*draw_automatic', ] - outputLocals = {} + output_locals = {} if options.port: py_mentat.py_connect('',options.port) - output(cmds,outputLocals,'Mentat') + output(cmds,output_locals,'Mentat') py_mentat.py_disconnect() else: with sys.stdout if name is None else open(os.path.splitext(name)[0]+'.proc','w') as f: - output(cmds,outputLocals,f) + output(cmds,output_locals,f)