diff --git a/install/MarcMentat/2023.4/Marc_tools/comp_damask_hmp.patch b/install/MarcMentat/2023.4/Marc_tools/comp_damask_hmp.patch new file mode 100644 index 000000000..886ebf008 --- /dev/null +++ b/install/MarcMentat/2023.4/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/2023.4/Marc_tools/comp_damask_lmp.patch b/install/MarcMentat/2023.4/Marc_tools/comp_damask_lmp.patch new file mode 100644 index 000000000..191cb1a53 --- /dev/null +++ b/install/MarcMentat/2023.4/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/2023.4/Marc_tools/comp_damask_mp.patch b/install/MarcMentat/2023.4/Marc_tools/comp_damask_mp.patch new file mode 100644 index 000000000..7c9cf7ba7 --- /dev/null +++ b/install/MarcMentat/2023.4/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 $DIRJOB/*_genmod.f90 diff --git a/install/MarcMentat/2023.4/Marc_tools/include_linux64.patch b/install/MarcMentat/2023.4/Marc_tools/include_linux64.patch new file mode 100644 index 000000000..01e68b763 --- /dev/null +++ b/install/MarcMentat/2023.4/Marc_tools/include_linux64.patch @@ -0,0 +1,75 @@ +--- ++++ +@@ -207,6 +207,15 @@ + MARC_COSIM_LIB="$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" +@@ -680,7 +689,7 @@ + PROFILE=" $PROFILE -pg" + fi + +-FORT_OPT="-c -assume byterecl -safe-cray-ptr -mp1 -WB -fp-model source" ++FORT_OPT="-c -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe-cray-ptr -mp1 -WB -fp-model source" + # FORT_OPT="-c -assume byterecl -safe-cray-ptr -mp1 -WB " + if test "$MTHREAD" = "OPENMP" + then +@@ -694,7 +703,7 @@ + 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=$MARCHDF_HDF" + fi + if test "$NASTRAN_LIB" = "on" ; then + FORT_OPT="$FORT_OPT -fPIC " +@@ -711,6 +720,29 @@ + # for compiling free form f90 files. high opt, integer(4) + FORTF90="$FCOMP -c -O3" + ++# determine DAMASK version ++if test -n "$DAMASK_USER"; then ++ DAMASKROOT=`dirname $DAMASK_USER`/../.. ++ read DAMASKVERSION < $DAMASKROOT/VERSION ++ DAMASKVERSION="'"$DAMASKVERSION"'" ++else ++ DAMASKVERSION="'N/A'" ++fi ++ ++# DAMASK compiler calls ++DFORTLOWMP="$FCOMP -c -O0 -qno-offload -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe-cray-ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \ ++ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMARC4DAMASK=2023.4 -DDAMASKVERSION=$DAMASKVERSION \ ++ -qopenmp -qopenmp-threadprivate=compat\ ++ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD -I$MARC_MOD" ++DFORTRANMP="$FCOMP -c -O1 -qno-offload -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe-cray-ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \ ++ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMARC4DAMASK=2023.4 -DDAMASKVERSION=$DAMASKVERSION \ ++ -qopenmp -qopenmp-threadprivate=compat\ ++ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD -I$MARC_MOD" ++DFORTHIGHMP="$FCOMP -c -O3 -qno-offload -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe-cray-ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \ ++ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMARC4DAMASK=2023.4 -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 \ +@@ -877,7 +909,7 @@ + + 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 -ltetadapt -lmeshgems -lmg-tetra -lmeshgems_stubs -lCATMshMesherCore -lCATMshCVMforCSM -lmg-hybrid -lmg-cadsurf -lmg-hexa $HDF_LIBS $SOLVER2LIBS $RTREE_LIB/librtree_lib.a $SFGEO_LIB/libgeo_lib.a" ++ $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 -ltetadapt -lmeshgems -lmg-tetra -lmeshgems_stubs -lCATMshMesherCore -lCATMshCVMforCSM -lmg-hybrid -lmg-cadsurf -lmg-hexa $HDF5_LIB $SOLVER2LIBS $RTREE_LIB/librtree_lib.a $SFGEO_LIB/libgeo_lib.a" + + SOLVERLIBS_DLL=${SOLVERLIBS} + if test "$AEM_DLL" -eq 1 diff --git a/install/MarcMentat/2023.4/Marc_tools/run_damask_hmp.patch b/install/MarcMentat/2023.4/Marc_tools/run_damask_hmp.patch new file mode 100644 index 000000000..524b4da00 --- /dev/null +++ b/install/MarcMentat/2023.4/Marc_tools/run_damask_hmp.patch @@ -0,0 +1,477 @@ +--- ++++ +@@ -136,6 +136,11 @@ + # is created. For job running in the background, the log # + # file is always created. Default is "yes" # + ############################################################################## ++# remove all Mentat paths from LD_LIBRARY_PATH ++LD_LIBRARY_PATH=:$LD_LIBRARY_PATH: ++LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([!(:)])mentat2023.4+([!(:)])/:} ++LD_LIBRARY_PATH=${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 $REALCOM` +@@ -303,7 +308,23 @@ + + . "$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 ++ + # + + # +@@ -406,7 +427,7 @@ + did= + vid= + user= +-usersubname= ++usernoext= + objs= + qid=background + cpu= +@@ -677,50 +698,19 @@ + 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" +@@ -1208,12 +1198,12 @@ + 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" +@@ -1532,7 +1522,7 @@ + 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 +@@ -1565,7 +1555,7 @@ + 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 +@@ -1688,7 +1678,7 @@ + ;; + esac + fi +- $ECHO "User subroutine name ($usersubname)? $ECHOTXT" ++ $ECHO "User subroutine name ($user)? $ECHOTXT" + read value + if test "$value" + then +@@ -1697,50 +1687,19 @@ + 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 $usernoext .f90` + ;; + esac + fi +@@ -2275,11 +2234,12 @@ + # + # user subroutine used + # ++# add DAMASK options for linking ++ DAMASK="-lstdc++" + + if test "$user" + then +-# program=$user.marc +- program=$DIRJOB/`$BASENAME $user .f`.marc ++ program=$usernoext.marc + case $program in + \/* | \.\/*) + bd= +@@ -2392,7 +2352,7 @@ + fi + if test "$user" + then +- execpath=$DIRJOB/`$BASENAME $user .f`.marc ++ execpath=$usernoext.marc + usersub=1 + fi + export execpath +@@ -3275,33 +3235,16 @@ + 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 +- $FORTRAN $usersub -o $userobj || \ ++ $DFORTHIGHMP $user -o $userobj || \ + { +- echo "$0: compile failed for $usersubname" ++ echo "$0: compile failed for $user" + exit 1 + } + /bin/rm $program 2>/dev/null +- if test ${basefile##*.} = f +- then +- /bin/rm -f "$usersub" +- fi + fi + +@@ -3323,6 +3266,7 @@ + $TKLIBS \ + $MRCLIBS \ + $METISLIBS \ ++ $DAMASK \ + $SFLIB \ + $OPENSSL_LIB \ + $SYSLIBS \ +@@ -3336,6 +3280,9 @@ + 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 +@@ -3383,7 +3330,7 @@ + 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 +@@ -3549,7 +3496,7 @@ + # 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" +@@ -3562,21 +3509,21 @@ + 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 $usersubname 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 $remoteuser 2> /dev/null + fi + fi + fi +@@ -3586,27 +3533,15 @@ + if test "$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 +- $FORTRAN $usersub -o $userobj || \ ++ $DFORTHIGHMP $user -o $userobj || \ + { +- echo "$0: compile failed for $usersubname" ++ echo "$0: compile failed for $user" + echo " $PRODUCT Exit number 3" + exit 1 + } + /bin/rm $program 2>/dev/null +- if test ${basefile##*.} = f +- then +- /bin/rm -f "$usersub" +- fi + fi # if test $user + +@@ -3628,6 +3563,7 @@ + $TKLIBS \ + $MRCLIBS \ + $METISLIBS \ ++ $DAMASK \ + $SFLIB \ + $OPENSSL_LIB \ + $SYSLIBS \ +@@ -3669,6 +3605,9 @@ + 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 +@@ -3763,7 +3702,7 @@ + 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 +@@ -3888,7 +3827,7 @@ + # 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" +@@ -3901,20 +3840,20 @@ + 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 $usersubname 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 $remoteuser 2> /dev/null + fi + fi + fi +@@ -3924,26 +3863,14 @@ + if test "$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 +- $FORTRAN $usersub -o $userobj || \ ++ $DFORTHIGHMP $user -o $userobj || \ + { +- echo "$0: compile failed for $usersubname" ++ echo "$0: compile failed for $user" + exit 1 + } + /bin/rm $program 2>/dev/null +- if test ${basefile##*.} = f +- then +- /bin/rm -f "$usersub" +- fi + fi # if test $user + +@@ -3965,6 +3892,7 @@ + $TKLIBS \ + $MRCLIBS \ + $METISLIBS \ ++ $DAMASK \ + $SFLIB \ + $OPENSSL_LIB \ + $SYSLIBS \ +@@ -4005,7 +3933,9 @@ + 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 +@@ -4125,7 +4055,7 @@ + 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 $rmdll = yes;then diff --git a/install/MarcMentat/2023.4/Marc_tools/run_damask_lmp.patch b/install/MarcMentat/2023.4/Marc_tools/run_damask_lmp.patch new file mode 100644 index 000000000..61d4a3454 --- /dev/null +++ b/install/MarcMentat/2023.4/Marc_tools/run_damask_lmp.patch @@ -0,0 +1,477 @@ +--- ++++ +@@ -136,6 +136,11 @@ + # is created. For job running in the background, the log # + # file is always created. Default is "yes" # + ############################################################################## ++# remove all Mentat paths from LD_LIBRARY_PATH ++LD_LIBRARY_PATH=:$LD_LIBRARY_PATH: ++LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([!(:)])mentat2023.4+([!(:)])/:} ++LD_LIBRARY_PATH=${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 $REALCOM` +@@ -303,7 +308,23 @@ + + . "$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 ++ + # + + # +@@ -406,7 +427,7 @@ + did= + vid= + user= +-usersubname= ++usernoext= + objs= + qid=background + cpu= +@@ -677,50 +698,19 @@ + 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" +@@ -1208,12 +1198,12 @@ + 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" +@@ -1532,7 +1522,7 @@ + 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 +@@ -1565,7 +1555,7 @@ + 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 +@@ -1688,7 +1678,7 @@ + ;; + esac + fi +- $ECHO "User subroutine name ($usersubname)? $ECHOTXT" ++ $ECHO "User subroutine name ($user)? $ECHOTXT" + read value + if test "$value" + then +@@ -1697,50 +1687,19 @@ + 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 $usernoext .f90` + ;; + esac + fi +@@ -2275,11 +2234,12 @@ + # + # user subroutine used + # ++# add DAMASK options for linking ++ DAMASK="-lstdc++" + + if test "$user" + then +-# program=$user.marc +- program=$DIRJOB/`$BASENAME $user .f`.marc ++ program=$usernoext.marc + case $program in + \/* | \.\/*) + bd= +@@ -2392,7 +2352,7 @@ + fi + if test "$user" + then +- execpath=$DIRJOB/`$BASENAME $user .f`.marc ++ execpath=$usernoext.marc + usersub=1 + fi + export execpath +@@ -3275,33 +3235,16 @@ + 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 +- $FORTRAN $usersub -o $userobj || \ ++ $DFORTLOWMP $user -o $userobj || \ + { +- echo "$0: compile failed for $usersubname" ++ echo "$0: compile failed for $user" + exit 1 + } + /bin/rm $program 2>/dev/null +- if test ${basefile##*.} = f +- then +- /bin/rm -f "$usersub" +- fi + fi + +@@ -3323,6 +3266,7 @@ + $TKLIBS \ + $MRCLIBS \ + $METISLIBS \ ++ $DAMASK \ + $SFLIB \ + $OPENSSL_LIB \ + $SYSLIBS \ +@@ -3336,6 +3280,9 @@ + 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 +@@ -3383,7 +3330,7 @@ + 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 +@@ -3549,7 +3496,7 @@ + # 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" +@@ -3562,21 +3509,21 @@ + 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 $usersubname 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 $remoteuser 2> /dev/null + fi + fi + fi +@@ -3586,27 +3533,15 @@ + if test "$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 +- $FORTRAN $usersub -o $userobj || \ ++ $DFORTLOWMP $user -o $userobj || \ + { +- echo "$0: compile failed for $usersubname" ++ echo "$0: compile failed for $user" + echo " $PRODUCT Exit number 3" + exit 1 + } + /bin/rm $program 2>/dev/null +- if test ${basefile##*.} = f +- then +- /bin/rm -f "$usersub" +- fi + fi # if test $user + +@@ -3628,6 +3563,7 @@ + $TKLIBS \ + $MRCLIBS \ + $METISLIBS \ ++ $DAMASK \ + $SFLIB \ + $OPENSSL_LIB \ + $SYSLIBS \ +@@ -3669,6 +3605,9 @@ + 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 +@@ -3763,7 +3702,7 @@ + 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 +@@ -3888,7 +3827,7 @@ + # 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" +@@ -3901,20 +3840,20 @@ + 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 $usersubname 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 $remoteuser 2> /dev/null + fi + fi + fi +@@ -3924,26 +3863,14 @@ + if test "$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 +- $FORTRAN $usersub -o $userobj || \ ++ $DFORTLOWMP $user -o $userobj || \ + { +- echo "$0: compile failed for $usersubname" ++ echo "$0: compile failed for $user" + exit 1 + } + /bin/rm $program 2>/dev/null +- if test ${basefile##*.} = f +- then +- /bin/rm -f "$usersub" +- fi + fi # if test $user + +@@ -3965,6 +3892,7 @@ + $TKLIBS \ + $MRCLIBS \ + $METISLIBS \ ++ $DAMASK \ + $SFLIB \ + $OPENSSL_LIB \ + $SYSLIBS \ +@@ -4005,7 +3933,9 @@ + 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 +@@ -4125,7 +4055,7 @@ + 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 $rmdll = yes;then diff --git a/install/MarcMentat/2023.4/Marc_tools/run_damask_mp.patch b/install/MarcMentat/2023.4/Marc_tools/run_damask_mp.patch new file mode 100644 index 000000000..f2b34ae4c --- /dev/null +++ b/install/MarcMentat/2023.4/Marc_tools/run_damask_mp.patch @@ -0,0 +1,477 @@ +--- ++++ +@@ -136,6 +136,11 @@ + # is created. For job running in the background, the log # + # file is always created. Default is "yes" # + ############################################################################## ++# remove all Mentat paths from LD_LIBRARY_PATH ++LD_LIBRARY_PATH=:$LD_LIBRARY_PATH: ++LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([!(:)])mentat2023.4+([!(:)])/:} ++LD_LIBRARY_PATH=${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 $REALCOM` +@@ -303,7 +308,23 @@ + + . "$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 ++ + # + + # +@@ -406,7 +427,7 @@ + did= + vid= + user= +-usersubname= ++usernoext= + objs= + qid=background + cpu= +@@ -677,50 +698,19 @@ + 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" +@@ -1208,12 +1198,12 @@ + 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" +@@ -1532,7 +1522,7 @@ + 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 +@@ -1565,7 +1555,7 @@ + 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 +@@ -1688,7 +1678,7 @@ + ;; + esac + fi +- $ECHO "User subroutine name ($usersubname)? $ECHOTXT" ++ $ECHO "User subroutine name ($user)? $ECHOTXT" + read value + if test "$value" + then +@@ -1697,50 +1687,19 @@ + 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 $usernoext .f90` + ;; + esac + fi +@@ -2275,11 +2234,12 @@ + # + # user subroutine used + # ++# add DAMASK options for linking ++ DAMASK="-lstdc++" + + if test "$user" + then +-# program=$user.marc +- program=$DIRJOB/`$BASENAME $user .f`.marc ++ program=$usernoext.marc + case $program in + \/* | \.\/*) + bd= +@@ -2392,7 +2352,7 @@ + fi + if test "$user" + then +- execpath=$DIRJOB/`$BASENAME $user .f`.marc ++ execpath=$usernoext.marc + usersub=1 + fi + export execpath +@@ -3275,33 +3235,16 @@ + 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 +- $FORTRAN $usersub -o $userobj || \ ++ $DFORTRANMP $user -o $userobj || \ + { +- echo "$0: compile failed for $usersubname" ++ echo "$0: compile failed for $user" + exit 1 + } + /bin/rm $program 2>/dev/null +- if test ${basefile##*.} = f +- then +- /bin/rm -f "$usersub" +- fi + fi + +@@ -3323,6 +3266,7 @@ + $TKLIBS \ + $MRCLIBS \ + $METISLIBS \ ++ $DAMASK \ + $SFLIB \ + $OPENSSL_LIB \ + $SYSLIBS \ +@@ -3336,6 +3280,9 @@ + 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 +@@ -3383,7 +3330,7 @@ + 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 +@@ -3549,7 +3496,7 @@ + # 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" +@@ -3562,21 +3509,21 @@ + 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 $usersubname 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 $remoteuser 2> /dev/null + fi + fi + fi +@@ -3586,27 +3533,15 @@ + if test "$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 +- $FORTRAN $usersub -o $userobj || \ ++ $DFORTRANMP $user -o $userobj || \ + { +- echo "$0: compile failed for $usersubname" ++ echo "$0: compile failed for $user" + echo " $PRODUCT Exit number 3" + exit 1 + } + /bin/rm $program 2>/dev/null +- if test ${basefile##*.} = f +- then +- /bin/rm -f "$usersub" +- fi + fi # if test $user + +@@ -3628,6 +3563,7 @@ + $TKLIBS \ + $MRCLIBS \ + $METISLIBS \ ++ $DAMASK \ + $SFLIB \ + $OPENSSL_LIB \ + $SYSLIBS \ +@@ -3669,6 +3605,9 @@ + 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 +@@ -3763,7 +3702,7 @@ + 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 +@@ -3888,7 +3827,7 @@ + # 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" +@@ -3901,20 +3840,20 @@ + 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 $usersubname 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 $remoteuser 2> /dev/null + fi + fi + fi +@@ -3924,26 +3863,14 @@ + if test "$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 +- $FORTRAN $usersub -o $userobj || \ ++ $DFORTRANMP $user -o $userobj || \ + { +- echo "$0: compile failed for $usersubname" ++ echo "$0: compile failed for $user" + exit 1 + } + /bin/rm $program 2>/dev/null +- if test ${basefile##*.} = f +- then +- /bin/rm -f "$usersub" +- fi + fi # if test $user + +@@ -3965,6 +3892,7 @@ + $TKLIBS \ + $MRCLIBS \ + $METISLIBS \ ++ $DAMASK \ + $SFLIB \ + $OPENSSL_LIB \ + $SYSLIBS \ +@@ -4005,7 +3933,9 @@ + 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 +@@ -4125,7 +4055,7 @@ + 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 $rmdll = yes;then diff --git a/install/MarcMentat/2023.4/Mentat_bin/edit_window.patch b/install/MarcMentat/2023.4/Mentat_bin/edit_window.patch new file mode 100644 index 000000000..915af9bf6 --- /dev/null +++ b/install/MarcMentat/2023.4/Mentat_bin/edit_window.patch @@ -0,0 +1,24 @@ +--- ++++ +@@ -1,18 +1,5 @@ + #!/bin/sh +-# This script opens a window running an editor. The default window is an +-# xterm, and the default editor is vi. These may be customized. ++# This script opens a window running an editor. ++# The command to invoke the editor is specified during DAMASK installation + +-dir= +-for d in /usr/bin /usr/bin/X11; do +- if test -x "$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/2023.4/Mentat_bin/kill4.patch b/install/MarcMentat/2023.4/Mentat_bin/kill4.patch new file mode 100644 index 000000000..e69de29bb diff --git a/install/MarcMentat/2023.4/Mentat_bin/kill5.patch b/install/MarcMentat/2023.4/Mentat_bin/kill5.patch new file mode 100644 index 000000000..e69de29bb diff --git a/install/MarcMentat/2023.4/Mentat_bin/kill6.patch b/install/MarcMentat/2023.4/Mentat_bin/kill6.patch new file mode 100644 index 000000000..e69de29bb diff --git a/install/MarcMentat/2023.4/Mentat_bin/submit4.patch b/install/MarcMentat/2023.4/Mentat_bin/submit4.patch new file mode 100644 index 000000000..569ffaef0 --- /dev/null +++ b/install/MarcMentat/2023.4/Mentat_bin/submit4.patch @@ -0,0 +1,25 @@ +--- ++++ +@@ -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/2023.4/Mentat_bin/submit5.patch b/install/MarcMentat/2023.4/Mentat_bin/submit5.patch new file mode 100644 index 000000000..542ad3cdc --- /dev/null +++ b/install/MarcMentat/2023.4/Mentat_bin/submit5.patch @@ -0,0 +1,25 @@ +--- ++++ +@@ -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/2023.4/Mentat_bin/submit6.patch b/install/MarcMentat/2023.4/Mentat_bin/submit6.patch new file mode 100644 index 000000000..991b8add8 --- /dev/null +++ b/install/MarcMentat/2023.4/Mentat_bin/submit6.patch @@ -0,0 +1,25 @@ +--- ++++ +@@ -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/2023.4/Mentat_menus/job_run.ms.patch b/install/MarcMentat/2023.4/Mentat_menus/job_run.ms.patch new file mode 100644 index 000000000..5fd07af1d --- /dev/null +++ b/install/MarcMentat/2023.4/Mentat_menus/job_run.ms.patch @@ -0,0 +1,158 @@ +--- ++++ +@@ -362,11 +362,18 @@ + } + 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 +@@ -1312,6 +1319,135 @@ + } + + ++#-------------------------------------------------------------------------------------------------- ++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/concom2023.4 b/src/Marc/include/concom2023.4 new file mode 100644 index 000000000..df42413cf --- /dev/null +++ b/src/Marc/include/concom2023.4 @@ -0,0 +1,473 @@ +! 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, matfor, ishormem, imsdifths +dimension :: ideva(60) +integer num_concom +parameter(num_concom=266) +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, matfor, ishormem, imsdifths +! +! 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 +! matfor flag for material forces computation +! 0: Eshleby stress and material force vector not requested +! 1: output Eshelby stress tensor, but no material force vector +! 2: output material force vector, but no Eshelby stress tensor +! 3: output Eshelby stress tensor and material force vector +! ishormem set to 1 if shell or membrane elements are present, 0 otherwise +! imsdifths flag for diffusion(pressure)/thermal/structural analysis +! +!*********************************************************************** +!$omp threadprivate(/marc_concom/) +!! diff --git a/src/Marc/include/creeps2023.4 b/src/Marc/include/creeps2023.4 new file mode 100644 index 000000000..29d7878e0 --- /dev/null +++ b/src/Marc/include/creeps2023.4 @@ -0,0 +1,74 @@ +! 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, dens99 +! +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) +parameter(dens99=0.99d0) +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/) +!!