Merge branch 'Marc2022.2' into 'development'
Marc2022.2 See merge request damask/DAMASK!622
This commit is contained in:
commit
41226b1950
|
@ -47,9 +47,9 @@ variables:
|
||||||
PETSC_INTELLLVM: "Libraries/PETSc/3.16.3/oneAPI-2022.0.1-IntelMPI-2021.5.0"
|
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"
|
PETSC_INTEL: "Libraries/PETSc/3.16.5/Intel-2022.0.1-IntelMPI-2021.5.0"
|
||||||
# ++++++++++++ MSC Marc +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
# ++++++++++++ MSC Marc +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
||||||
MSC: "FEM/MSC/2022.1"
|
MSC: "FEM/MSC/2022.2"
|
||||||
IntelMarc: "Compiler/Intel/19.1.2 Libraries/IMKL/2020"
|
IntelMarc: "Compiler/Intel/19.1.2 Libraries/IMKL/2020"
|
||||||
HDF5Marc: "HDF5/1.12.1/Intel-19.1.2"
|
HDF5Marc: "HDF5/1.12.2/Intel-19.1.2"
|
||||||
|
|
||||||
|
|
||||||
###################################################################################################
|
###################################################################################################
|
||||||
|
|
|
@ -46,7 +46,7 @@
|
||||||
+
|
+
|
||||||
+# determine DAMASK version
|
+# determine DAMASK version
|
||||||
+if test -n "$DAMASK_USER"; then
|
+if test -n "$DAMASK_USER"; then
|
||||||
+ DAMASKROOT=`dirname $DAMASK_USER`/..
|
+ DAMASKROOT=`dirname $DAMASK_USER`/../..
|
||||||
+ read DAMASKVERSION < $DAMASKROOT/VERSION
|
+ read DAMASKVERSION < $DAMASKROOT/VERSION
|
||||||
+ DAMASKVERSION="'"$DAMASKVERSION"'"
|
+ DAMASKVERSION="'"$DAMASKVERSION"'"
|
||||||
+else
|
+else
|
||||||
|
|
|
@ -251,7 +251,7 @@
|
||||||
- usersub=$usersubname
|
- usersub=$usersubname
|
||||||
- fi
|
- fi
|
||||||
-
|
-
|
||||||
+ userobj=$usermoext.o
|
+ userobj=$usernoext.o
|
||||||
fi
|
fi
|
||||||
cat > $jid.runmarcscript << END4
|
cat > $jid.runmarcscript << END4
|
||||||
if test "$user"
|
if test "$user"
|
||||||
|
|
|
@ -251,7 +251,7 @@
|
||||||
- usersub=$usersubname
|
- usersub=$usersubname
|
||||||
- fi
|
- fi
|
||||||
-
|
-
|
||||||
+ userobj=$usermoext.o
|
+ userobj=$usernoext.o
|
||||||
fi
|
fi
|
||||||
cat > $jid.runmarcscript << END4
|
cat > $jid.runmarcscript << END4
|
||||||
if test "$user"
|
if test "$user"
|
||||||
|
|
|
@ -251,7 +251,7 @@
|
||||||
- usersub=$usersubname
|
- usersub=$usersubname
|
||||||
- fi
|
- fi
|
||||||
-
|
-
|
||||||
+ userobj=$usermoext.o
|
+ userobj=$usernoext.o
|
||||||
fi
|
fi
|
||||||
cat > $jid.runmarcscript << END4
|
cat > $jid.runmarcscript << END4
|
||||||
if test "$user"
|
if test "$user"
|
||||||
|
|
|
@ -66,7 +66,7 @@
|
||||||
+ label {
|
+ label {
|
||||||
+ position -32 +6
|
+ position -32 +6
|
||||||
+ size 12 6
|
+ size 12 6
|
||||||
+ text "O2 / OpenMP"
|
+ text "O3 / OpenMP"
|
||||||
+ border_width 1
|
+ border_width 1
|
||||||
+ border_color black
|
+ border_color black
|
||||||
+ }
|
+ }
|
||||||
|
|
|
@ -46,7 +46,7 @@
|
||||||
+
|
+
|
||||||
+# determine DAMASK version
|
+# determine DAMASK version
|
||||||
+if test -n "$DAMASK_USER"; then
|
+if test -n "$DAMASK_USER"; then
|
||||||
+ DAMASKROOT=`dirname $DAMASK_USER`/..
|
+ DAMASKROOT=`dirname $DAMASK_USER`/../..
|
||||||
+ read DAMASKVERSION < $DAMASKROOT/VERSION
|
+ read DAMASKVERSION < $DAMASKROOT/VERSION
|
||||||
+ DAMASKVERSION="'"$DAMASKVERSION"'"
|
+ DAMASKVERSION="'"$DAMASKVERSION"'"
|
||||||
+else
|
+else
|
||||||
|
|
|
@ -284,7 +284,7 @@
|
||||||
- usersub=$usersubname
|
- usersub=$usersubname
|
||||||
- fi
|
- fi
|
||||||
-
|
-
|
||||||
+ userobj=$usermoext.o
|
+ userobj=$usernoext.o
|
||||||
fi
|
fi
|
||||||
cat > $jid.runmarcscript << END4
|
cat > $jid.runmarcscript << END4
|
||||||
if test "$user"
|
if test "$user"
|
||||||
|
|
|
@ -284,7 +284,7 @@
|
||||||
- usersub=$usersubname
|
- usersub=$usersubname
|
||||||
- fi
|
- fi
|
||||||
-
|
-
|
||||||
+ userobj=$usermoext.o
|
+ userobj=$usernoext.o
|
||||||
fi
|
fi
|
||||||
cat > $jid.runmarcscript << END4
|
cat > $jid.runmarcscript << END4
|
||||||
if test "$user"
|
if test "$user"
|
||||||
|
|
|
@ -284,7 +284,7 @@
|
||||||
- usersub=$usersubname
|
- usersub=$usersubname
|
||||||
- fi
|
- fi
|
||||||
-
|
-
|
||||||
+ userobj=$usermoext.o
|
+ userobj=$usernoext.o
|
||||||
fi
|
fi
|
||||||
cat > $jid.runmarcscript << END4
|
cat > $jid.runmarcscript << END4
|
||||||
if test "$user"
|
if test "$user"
|
||||||
|
|
|
@ -65,7 +65,7 @@
|
||||||
+ label {
|
+ label {
|
||||||
+ position -32 +6
|
+ position -32 +6
|
||||||
+ size 12 6
|
+ size 12 6
|
||||||
+ text "O2 / OpenMP"
|
+ text "O3 / OpenMP"
|
||||||
+ border_width 1
|
+ border_width 1
|
||||||
+ border_color black
|
+ border_color black
|
||||||
+ }
|
+ }
|
||||||
|
|
|
@ -50,7 +50,7 @@
|
||||||
|
|
||||||
+# determine DAMASK version
|
+# determine DAMASK version
|
||||||
+if test -n "$DAMASK_USER"; then
|
+if test -n "$DAMASK_USER"; then
|
||||||
+ DAMASKROOT=`dirname $DAMASK_USER`/..
|
+ DAMASKROOT=`dirname $DAMASK_USER`/../..
|
||||||
+ read DAMASKVERSION < $DAMASKROOT/VERSION
|
+ read DAMASKVERSION < $DAMASKROOT/VERSION
|
||||||
+ DAMASKVERSION="'"$DAMASKVERSION"'"
|
+ DAMASKVERSION="'"$DAMASKVERSION"'"
|
||||||
+else
|
+else
|
||||||
|
|
|
@ -283,7 +283,7 @@
|
||||||
- usersub=$usersubname
|
- usersub=$usersubname
|
||||||
- fi
|
- fi
|
||||||
-
|
-
|
||||||
+ userobj=$usermoext.o
|
+ userobj=$usernoext.o
|
||||||
fi
|
fi
|
||||||
cat > $jid.runmarcscript << END4
|
cat > $jid.runmarcscript << END4
|
||||||
if test "$user"
|
if test "$user"
|
||||||
|
|
|
@ -283,7 +283,7 @@
|
||||||
- usersub=$usersubname
|
- usersub=$usersubname
|
||||||
- fi
|
- fi
|
||||||
-
|
-
|
||||||
+ userobj=$usermoext.o
|
+ userobj=$usernoext.o
|
||||||
fi
|
fi
|
||||||
cat > $jid.runmarcscript << END4
|
cat > $jid.runmarcscript << END4
|
||||||
if test "$user"
|
if test "$user"
|
||||||
|
|
|
@ -301,7 +301,7 @@
|
||||||
- usersub=$usersubname
|
- usersub=$usersubname
|
||||||
- fi
|
- fi
|
||||||
-
|
-
|
||||||
+ userobj=$usermoext.o
|
+ userobj=$usernoext.o
|
||||||
fi
|
fi
|
||||||
cat > $jid.runmarcscript << END4
|
cat > $jid.runmarcscript << END4
|
||||||
if test "$user"
|
if test "$user"
|
||||||
|
|
|
@ -67,7 +67,7 @@
|
||||||
+ label {
|
+ label {
|
||||||
+ position -32 +6
|
+ position -32 +6
|
||||||
+ size 12 6
|
+ size 12 6
|
||||||
+ text "O2 / OpenMP"
|
+ text "O3 / OpenMP"
|
||||||
+ border_width 1
|
+ border_width 1
|
||||||
+ border_color black
|
+ border_color black
|
||||||
+ }
|
+ }
|
||||||
|
|
|
@ -40,7 +40,7 @@
|
||||||
|
|
||||||
+# determine DAMASK version
|
+# determine DAMASK version
|
||||||
+if test -n "$DAMASK_USER"; then
|
+if test -n "$DAMASK_USER"; then
|
||||||
+ DAMASKROOT=`dirname $DAMASK_USER`/..
|
+ DAMASKROOT=`dirname $DAMASK_USER`/../..
|
||||||
+ read DAMASKVERSION < $DAMASKROOT/VERSION
|
+ read DAMASKVERSION < $DAMASKROOT/VERSION
|
||||||
+ DAMASKVERSION="'"$DAMASKVERSION"'"
|
+ DAMASKVERSION="'"$DAMASKVERSION"'"
|
||||||
+else
|
+else
|
||||||
|
|
|
@ -228,7 +228,7 @@
|
||||||
- usersub=$usersubname
|
- usersub=$usersubname
|
||||||
- fi
|
- fi
|
||||||
-
|
-
|
||||||
+ userobj=$usermoext.o
|
+ userobj=$usernoext.o
|
||||||
fi
|
fi
|
||||||
cat > $jid.runmarcscript << END4
|
cat > $jid.runmarcscript << END4
|
||||||
if test "$user"
|
if test "$user"
|
||||||
|
|
|
@ -228,7 +228,7 @@
|
||||||
- usersub=$usersubname
|
- usersub=$usersubname
|
||||||
- fi
|
- fi
|
||||||
-
|
-
|
||||||
+ userobj=$usermoext.o
|
+ userobj=$usernoext.o
|
||||||
fi
|
fi
|
||||||
cat > $jid.runmarcscript << END4
|
cat > $jid.runmarcscript << END4
|
||||||
if test "$user"
|
if test "$user"
|
||||||
|
|
|
@ -228,7 +228,7 @@
|
||||||
- usersub=$usersubname
|
- usersub=$usersubname
|
||||||
- fi
|
- fi
|
||||||
-
|
-
|
||||||
+ userobj=$usermoext.o
|
+ userobj=$usernoext.o
|
||||||
fi
|
fi
|
||||||
cat > $jid.runmarcscript << END4
|
cat > $jid.runmarcscript << END4
|
||||||
if test "$user"
|
if test "$user"
|
||||||
|
|
|
@ -67,7 +67,7 @@
|
||||||
+ label {
|
+ label {
|
||||||
+ position -32 +6
|
+ position -32 +6
|
||||||
+ size 12 6
|
+ size 12 6
|
||||||
+ text "O2 / OpenMP"
|
+ text "O3 / OpenMP"
|
||||||
+ border_width 1
|
+ border_width 1
|
||||||
+ border_color black
|
+ border_color black
|
||||||
+ }
|
+ }
|
||||||
|
|
|
@ -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
|
|
@ -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
|
|
@ -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 $DIRJOB/*_genmod.f90
|
|
@ -0,0 +1,75 @@
|
||||||
|
---
|
||||||
|
+++
|
||||||
|
@@ -166,6 +166,15 @@
|
||||||
|
MARC_COSIM_LIB="$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 "$AEM_DLL" -eq 1
|
|
@ -0,0 +1,517 @@
|
||||||
|
---
|
||||||
|
+++
|
||||||
|
@@ -136,6 +136,11 @@
|
||||||
|
# is created. For job running in the background, the log #
|
||||||
|
# file is always created. Default is "yes" #
|
||||||
|
##############################################################################
|
||||||
|
+# remove all Mentat paths from LD_LIBRARY_PATH
|
||||||
|
+LD_LIBRARY_PATH=:$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 $rmdll = yes;then
|
|
@ -0,0 +1,517 @@
|
||||||
|
---
|
||||||
|
+++
|
||||||
|
@@ -136,6 +136,11 @@
|
||||||
|
# is created. For job running in the background, the log #
|
||||||
|
# file is always created. Default is "yes" #
|
||||||
|
##############################################################################
|
||||||
|
+# remove all Mentat paths from LD_LIBRARY_PATH
|
||||||
|
+LD_LIBRARY_PATH=:$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 $rmdll = yes;then
|
|
@ -0,0 +1,517 @@
|
||||||
|
---
|
||||||
|
+++
|
||||||
|
@@ -136,6 +136,11 @@
|
||||||
|
# is created. For job running in the background, the log #
|
||||||
|
# file is always created. Default is "yes" #
|
||||||
|
##############################################################################
|
||||||
|
+# remove all Mentat paths from LD_LIBRARY_PATH
|
||||||
|
+LD_LIBRARY_PATH=:$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 $rmdll = yes;then
|
|
@ -0,0 +1,24 @@
|
||||||
|
---
|
||||||
|
+++
|
||||||
|
@@ -1,18 +1,5 @@
|
||||||
|
#!/bin/sh
|
||||||
|
-# This script opens a window running an editor. The default window is an
|
||||||
|
-# xterm, and the default editor is vi. These may be customized.
|
||||||
|
+# This script opens a window running an editor.
|
||||||
|
+# The command to invoke the editor is specified during DAMASK installation
|
||||||
|
|
||||||
|
-dir=
|
||||||
|
-for d in /usr/bin /usr/bin/X11; do
|
||||||
|
- if test -x "$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% $*
|
|
@ -0,0 +1,38 @@
|
||||||
|
---
|
||||||
|
+++
|
||||||
|
@@ -63,10 +63,10 @@
|
||||||
|
if [ "$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 $gpu
|
|
@ -0,0 +1,38 @@
|
||||||
|
---
|
||||||
|
+++
|
||||||
|
@@ -63,10 +63,10 @@
|
||||||
|
if [ "$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 $gpu
|
|
@ -0,0 +1,38 @@
|
||||||
|
---
|
||||||
|
+++
|
||||||
|
@@ -63,10 +63,10 @@
|
||||||
|
if [ "$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
|
|
@ -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
|
||||||
|
@@ -1202,6 +1209,135 @@
|
||||||
|
}
|
||||||
|
|
||||||
|
|
||||||
|
+#--------------------------------------------------------------------------------------------------
|
||||||
|
+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 {
|
||||||
|
|
|
@ -9,9 +9,12 @@ from pathlib import Path
|
||||||
import subprocess
|
import subprocess
|
||||||
import shlex
|
import shlex
|
||||||
|
|
||||||
sys.path.append(str(Path(__file__).parents[2]/'python/damask'))
|
sys.path.append(str(Path(__file__).resolve().parents[2]/'python/damask'))
|
||||||
import solver
|
import solver
|
||||||
|
|
||||||
|
APPLY = 'install'
|
||||||
|
RESTORE = 'uninstall'
|
||||||
|
|
||||||
def copy_and_patch(patch,orig,editor):
|
def copy_and_patch(patch,orig,editor):
|
||||||
try:
|
try:
|
||||||
shutil.copyfile(orig,orig.parent/patch.stem)
|
shutil.copyfile(orig,orig.parent/patch.stem)
|
||||||
|
@ -25,9 +28,11 @@ def copy_and_patch(patch,orig,editor):
|
||||||
|
|
||||||
|
|
||||||
parser = argparse.ArgumentParser(
|
parser = argparse.ArgumentParser(
|
||||||
description='Apply DAMASK modification to MSC Marc/Mentat',
|
description=f'{APPLY.capitalize()} or {RESTORE} DAMASK modifications to MSC Marc/Mentat',
|
||||||
formatter_class=argparse.ArgumentDefaultsHelpFormatter)
|
formatter_class=argparse.ArgumentDefaultsHelpFormatter)
|
||||||
|
|
||||||
|
parser.add_argument('command', metavar='command', nargs='?', default=APPLY, choices=[APPLY,RESTORE],
|
||||||
|
help=f'Mode of operation {[APPLY,RESTORE]}')
|
||||||
parser.add_argument('--editor', dest='editor', metavar='string', default='vi',
|
parser.add_argument('--editor', dest='editor', metavar='string', default='vi',
|
||||||
help='Name of the editor (executable) used by Marc Mentat')
|
help='Name of the editor (executable) used by Marc Mentat')
|
||||||
parser.add_argument('--marc-root', dest='marc_root', metavar='string',
|
parser.add_argument('--marc-root', dest='marc_root', metavar='string',
|
||||||
|
@ -40,10 +45,10 @@ parser.add_argument('--damask-root', dest='damask_root', metavar = 'string',
|
||||||
default=solver._marc._damask_root,
|
default=solver._marc._damask_root,
|
||||||
help='DAMASK root directory')
|
help='DAMASK root directory')
|
||||||
|
|
||||||
|
|
||||||
args = parser.parse_args()
|
args = parser.parse_args()
|
||||||
marc_root = Path(args.marc_root).expanduser()
|
|
||||||
damask_root = Path(args.damask_root).expanduser()
|
damask_root = Path(args.damask_root).expanduser()
|
||||||
|
marc_root = Path(args.marc_root).expanduser()
|
||||||
marc_version = args.marc_version
|
marc_version = args.marc_version
|
||||||
|
|
||||||
matches = {'Marc_tools': [['comp_user','comp_damask_*mp'],
|
matches = {'Marc_tools': [['comp_user','comp_damask_*mp'],
|
||||||
|
@ -54,23 +59,41 @@ matches = {'Marc_tools': [['comp_user','comp_damask_*mp'],
|
||||||
['kill1','kill?']],
|
['kill1','kill?']],
|
||||||
'Mentat_menus':[['job_run.ms','job_run.ms']]}
|
'Mentat_menus':[['job_run.ms','job_run.ms']]}
|
||||||
|
|
||||||
for cmd in ['patch','xvfb-run']:
|
for cmd in ['xvfb-run','patch'] if args.command == APPLY else ['xvfb-run'] if args.command == RESTORE else []:
|
||||||
try:
|
try:
|
||||||
subprocess.run(shlex.split(f'{cmd} --help'))
|
subprocess.run([cmd,'--help'], capture_output=True)
|
||||||
except FileNotFoundError:
|
except FileNotFoundError:
|
||||||
print(f'"{cmd}" not found, please install')
|
print(f'"{cmd}" not found, please install')
|
||||||
sys.exit()
|
sys.exit()
|
||||||
|
|
||||||
|
if args.command == APPLY:
|
||||||
|
print('patching files...')
|
||||||
|
|
||||||
print('patching files...')
|
for directory in glob.glob(str(damask_root/'install/MarcMentat'/marc_version/'*')):
|
||||||
|
|
||||||
for directory in glob.glob(str(damask_root/'install/MarcMentat'/marc_version/'*')):
|
|
||||||
for orig, mods in matches[Path(directory).name]:
|
for orig, mods in matches[Path(directory).name]:
|
||||||
product,subfolder = (marc_root/Path(directory)).name.split('_')
|
product,subfolder = (marc_root/directory).name.split('_')
|
||||||
orig = marc_root/f'{product.lower()}{marc_version}/{subfolder}/{orig}'
|
orig = marc_root/f'{product.lower()}{marc_version}/{subfolder}/{orig}'
|
||||||
for patch in glob.glob(f'{directory}/{mods}.patch'):
|
for patch in glob.glob(f'{directory}/{mods}.patch'):
|
||||||
copy_and_patch(Path(patch),orig,args.editor)
|
copy_and_patch(Path(patch),orig,args.editor)
|
||||||
|
|
||||||
|
elif args.command == RESTORE:
|
||||||
|
print('deleting modified files...')
|
||||||
|
|
||||||
|
for file in (glob.glob(str(marc_root/f'marc{marc_version}/tools/*_damask*')) +
|
||||||
|
glob.glob(str(marc_root/f'mentat{marc_version}/bin/kill[4-6]')) +
|
||||||
|
glob.glob(str(marc_root/f'mentat{marc_version}/bin/submit[4-6]*'))):
|
||||||
|
os.remove(file)
|
||||||
|
|
||||||
|
print('restoring original files...')
|
||||||
|
|
||||||
|
for file in (glob.glob(str(marc_root/f'marc{marc_version}/tools/include_linux64.orig')) +
|
||||||
|
glob.glob(str(marc_root/f'mentat{marc_version}/bin/edit_window.orig')) +
|
||||||
|
glob.glob(str(marc_root/f'mentat{marc_version}/menus/job_run.ms.orig'))):
|
||||||
|
shutil.copyfile(file,Path(file).with_suffix(''))
|
||||||
|
os.remove(file)
|
||||||
|
else:
|
||||||
|
print('skipping file modifications...')
|
||||||
|
|
||||||
print('compiling Mentat menu binaries...')
|
print('compiling Mentat menu binaries...')
|
||||||
|
|
||||||
executable = marc_root/f'mentat{marc_version}/bin/mentat'
|
executable = marc_root/f'mentat{marc_version}/bin/mentat'
|
||||||
|
@ -79,8 +102,10 @@ subprocess.run(shlex.split(f'xvfb-run -a {executable} -compile {menu_file}'))
|
||||||
|
|
||||||
print('setting file access rights...')
|
print('setting file access rights...')
|
||||||
|
|
||||||
for file in (glob.glob(str(marc_root/f'marc{marc_version}/tools/*_damask*')) +
|
for file in (
|
||||||
glob.glob(str(marc_root/f'mentat{marc_version}/bin/edit_window')) +
|
(glob.glob(str(marc_root/f'marc{marc_version}/tools/*_damask*')) +
|
||||||
glob.glob(str(marc_root/f'mentat{marc_version}/bin/kill[4-6]')) +
|
glob.glob(str(marc_root/f'mentat{marc_version}/bin/kill[4-6]')) +
|
||||||
glob.glob(str(marc_root/f'mentat{marc_version}/bin/submit[4-6]'))):
|
glob.glob(str(marc_root/f'mentat{marc_version}/bin/submit[4-6]')) if args.command == APPLY else []) +
|
||||||
|
glob.glob(str(marc_root/f'mentat{marc_version}/bin/edit_window'))
|
||||||
|
):
|
||||||
os.chmod(file , 0o755)
|
os.chmod(file , 0o755)
|
|
@ -1,7 +1,12 @@
|
||||||
Install DAMASK modifications to use DAMASK_marc
|
Install or uninstall DAMASK modifications to MSC Marc/Mentat.
|
||||||
This is for the Linux64 version of Marc/Mentat
|
This is for the Linux64 version of Marc/Mentat.
|
||||||
|
|
||||||
Refer to http://damask.mpie.de for complete installation instructions.
|
usage: MSC_modifications.py [-h] [--editor string] [--marc-root string] [--marc-version string] [--damask-root string]
|
||||||
|
[command]
|
||||||
|
|
||||||
|
where command is either 'install' or 'uninstall'
|
||||||
|
|
||||||
|
Refer to https://damask.mpie.de/installation/source_code.html#msc-marc for complete installation instructions.
|
||||||
|
|
||||||
Usually you will need to be root for this to work!
|
Usually you will need to be root for this to work!
|
||||||
|
|
||||||
|
@ -9,6 +14,6 @@ See Marc and Mentat Release Guide for List of Build and Supported Platforms.
|
||||||
|
|
||||||
The Intel Fortran compiler needs to be installed.
|
The Intel Fortran compiler needs to be installed.
|
||||||
|
|
||||||
1) Install Marc, Mentat and Documentation as usual
|
1) Install Marc, Mentat, and Documentation as usual.
|
||||||
Run the test example including subroutines to confirm that the installation of both Marc/Mentat and the Intel Fortran Compiler is ok.
|
Run the test example including subroutines to confirm that the installation of both Marc/Mentat and the Intel Fortran Compiler is ok.
|
||||||
2) Run the apply_DAMASK_modifications.py script from this directory.
|
2) Run the MSC_modifications.py script from this directory.
|
||||||
|
|
|
@ -3,7 +3,7 @@ import shlex
|
||||||
import re
|
import re
|
||||||
from pathlib import Path
|
from pathlib import Path
|
||||||
|
|
||||||
_marc_version = '2022.1'
|
_marc_version = '2022.2'
|
||||||
_marc_root = '/opt/msc'
|
_marc_root = '/opt/msc'
|
||||||
_damask_root = str(Path(__file__).parents[3])
|
_damask_root = str(Path(__file__).parents[3])
|
||||||
|
|
||||||
|
|
|
@ -413,6 +413,8 @@ subroutine uedinc(inc,incsub)
|
||||||
use discretization_Marc
|
use discretization_Marc
|
||||||
|
|
||||||
implicit none(type,external)
|
implicit none(type,external)
|
||||||
|
|
||||||
|
external :: nodvar
|
||||||
integer(pI64), intent(in) :: inc, incsub
|
integer(pI64), intent(in) :: inc, incsub
|
||||||
|
|
||||||
integer :: n, nqncomp, nqdatatype
|
integer :: n, nqncomp, nqdatatype
|
||||||
|
|
|
@ -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/)
|
||||||
|
!!
|
|
@ -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/)
|
||||||
|
!!
|
Loading…
Reference in New Issue