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DAMASK_EICMD
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Merge branch 'write_ipdisplacements' of git.damask.mpie.de:damask/DAMASK into write_ipdisplacements

This commit is contained in:
Abisheik Panneerselvam 2021-07-20 15:35:48 +02:00
parent 86d918367f 4a2e62fdb2
commit a919ac0aea
91 changed files with 6272 additions and 25717 deletions
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4
.gitattributes vendored
View File

@ -12,9 +12,9 @@
*.pbz2 binary *.pbz2 binary
# ignore files from MSC.Marc in language statistics # ignore files from MSC.Marc in language statistics
installation/MarcMentat/** linguist-vendored install/MarcMentat/** linguist-vendored
src/Marc/include/* linguist-vendored src/Marc/include/* linguist-vendored
installation/MarcMentat/apply_DAMASK_modifications.py linguist-vendored=false install/MarcMentat/apply_DAMASK_modifications.py linguist-vendored=false
# ignore reference files for tests in language statistics # ignore reference files for tests in language statistics
python/tests/reference/** linguist-vendored python/tests/reference/** linguist-vendored

6
.gitlab-ci.yml
View File

@ -64,9 +64,9 @@ variables:
PETSc_Intel: "$PETSc3_14_2IMPI2020Intel19_1" PETSc_Intel: "$PETSc3_14_2IMPI2020Intel19_1"
PETSc_GNU: "$PETSc3_14_2OMPI4_0GNU10" PETSc_GNU: "$PETSc3_14_2OMPI4_0GNU10"
# ++++++++++++ commercial FEM ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ # ++++++++++++ commercial FEM ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
MSC2020: "FEM/MSC/2020" MSC2021: "FEM/MSC/2021.2"
# ------------ Defaults ---------------------------------------------- # ------------ Defaults ----------------------------------------------
MSC: "$MSC2020" MSC: "$MSC2021"
IntelMarc: "$IntelCompiler19_1" IntelMarc: "$IntelCompiler19_1"
HDF5Marc: "HDF5/1.12.0/Intel-19.1.2" HDF5Marc: "HDF5/1.12.0/Intel-19.1.2"
@ -83,7 +83,7 @@ checkout:
- mkdir -p $DAMASKROOT - mkdir -p $DAMASKROOT
- mkdir -p $TESTROOT - mkdir -p $TESTROOT
- cd $DAMASKROOT - cd $DAMASKROOT
- git clone -q git@magit1.mpie.de:damask/DAMASK.git . - git clone -q git@git.damask.mpie.de:damask/DAMASK.git .
- git checkout $CI_COMMIT_SHA - git checkout $CI_COMMIT_SHA
- git submodule update --init - git submodule update --init
- source env/DAMASK.sh - source env/DAMASK.sh

2
examples/config/phase/damage/isobrittle_generic.yaml
View File

@ -1,7 +1,5 @@
type: isobrittle type: isobrittle
W_crit: 1400000.0 W_crit: 1400000.0
m: 1.0
isoBrittle_atol: 0.01
output: [f_phi] output: [f_phi]

48
install/MarcMentat/2020/Marc_tools/comp_damask_hmp.patch vendored Normal file
View File

@ -0,0 +1,48 @@
---
+++
@@ -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 +42,12 @@
$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

48
install/MarcMentat/2020/Marc_tools/comp_damask_lmp.patch vendored Normal file
View File

@ -0,0 +1,48 @@
---
+++
@@ -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 +42,12 @@
$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

48
install/MarcMentat/2020/Marc_tools/comp_damask_mp.patch vendored Normal file
View File

@ -0,0 +1,48 @@
---
+++
@@ -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 +42,12 @@
$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

113
install/MarcMentat/2020/Marc_tools/include_linux64.patch vendored Normal file
View File

@ -0,0 +1,113 @@
---
+++
@@ -95,6 +95,11 @@
else
FCOMPROOT=
fi
+
+# DAMASK uses the HDF5 compiler wrapper around the Intel compiler
+H5FC="$(h5fc -shlib -show)"
+HDF5_LIB=${H5FC//ifort/}
+FCOMP="$H5FC -DDAMASK_HDF5"
# AEM
if test "$MARCDLLOUTDIR" = ""; then
@@ -390,8 +395,8 @@
I8DEFINES=
I8CDEFINES=
else
- I8FFLAGS="-i8"
- I8DEFINES="-DI64"
+ I8FFLAGS="-i8 -integer-size 64"
+ I8DEFINES="-DI64 -DINT=8"
I8CDEFINES="-U_DOUBLE -D_SINGLE"
fi
@@ -498,7 +503,7 @@
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"
@@ -511,7 +516,7 @@
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 \
@@ -524,6 +529,30 @@
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
# for compiling free form f90 files. high opt, integer(4)
FORTF90="$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: additional flags are in line 2 OpenMP flags in line 3
+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=2020 -DDAMASKVERSION=$DAMASKVERSION \
+ -qopenmp -qopenmp-threadprivate=compat\
+ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_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=2020 -DDAMASKVERSION=$DAMASKVERSION \
+ -qopenmp -qopenmp-threadprivate=compat\
+ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_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=2020 -DDAMASKVERSION=$DAMASKVERSION \
+ -qopenmp -qopenmp-threadprivate=compat\
+ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
if test "$MARCDEBUG" = "ON"
then
@@ -697,16 +726,16 @@
fi
if test "$MARC_INTEGER_SIZE" = "i4" ; then
- MKLLIB="$MARC_MKL/libmkl_scalapack_lp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_lp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
-else
- MKLLIB="$MARC_MKL/libmkl_scalapack_ilp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_ilp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
+ MKLLIB="$MARC_MKL/libmkl_scalapack_lp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_lp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MARC_MKL/libmkl_blacs_intelmpi_lp64.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
+else
+ MKLLIB="$MARC_MKL/libmkl_scalapack_ilp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_ilp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
fi
SECLIBS="-L$MARC_LIB -llapi"
SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \
$MKLLIB -L$MARC_MKL -liomp5 \
- $MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/libkdtree2.a $HDF_LIBS $SOLVER2LIBS"
+ $MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/libkdtree2.a $HDF5_LIB $SOLVER2LIBS"
SOLVERLIBS_DLL=${SOLVERLIBS}
if test "$AEM_DLL" -eq 1
@@ -734,7 +763,7 @@
OPENSSL=NONE
fi
-SYSLIBS=" $OPENMP -lpthread -shared-intel -cxxlib"
+SYSLIBS=" $OPENMP -lpthread -cxxlib"
# Uncomment the following lines to turn on the trace and comment out the next 4 lines
# if test $MPITYPE = intelmpi
@@ -744,7 +773,7 @@
# fi
if test $MPITYPE = intelmpi
then
- SYSLIBS="-L${MPI_ROOT}/lib/release -lmpi -L${MPI_ROOT}/lib -lmpifort -lrt $OPENMP -threads -lpthread -shared-intel -cxxlib"
+ SYSLIBS="-L${MPI_ROOT}/lib/release -lmpi -L${MPI_ROOT}/lib -lmpifort -lrt $OPENMP -threads -lpthread -cxxlib"
fi

662
install/MarcMentat/2020/Marc_tools/run_damask_hmp.patch vendored Normal file
View File

@ -0,0 +1,662 @@
---
+++
@@ -298,7 +298,23 @@
. "$DIR/getarch"
+
+# getting user subroutine file name
+found=0
+for i in "$@"; 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)
. $MARC_INCLUDE
+
#
#
@@ -399,7 +415,7 @@
did=
vid=
user=
-usersubname=
+usernoext=
objs=
qid=background
cpu=
@@ -568,7 +584,7 @@
justlist=yes
;;
-fe* | -FE*)
- feature=$value
+ feature=$value
;;
-pr* | -PR*)
@@ -664,50 +680,19 @@
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"
@@ -1188,12 +1173,12 @@
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"
@@ -1367,7 +1352,7 @@
else
error="$error
job id required"
- fi
+fi
fi
case $qid in
@@ -1508,7 +1493,7 @@
Marc shared lib : $progdll
Version type : $mode
Job ID : $DIRJID/$jid
-User subroutine name : $usersubname
+User subroutine name : $user
User objects/libs : $objs
Restart file job ID : $rid
Substructure file ID : $sid
@@ -1540,7 +1525,7 @@
Marc shared lib : $progdll
Version type : $mode
Job ID : $DIRJID/$jid
-User subroutine name : $usersubname
+User subroutine name : $user
User objects/libs : $objs
Restart file job ID : $rid
Substructure file ID : $sid
@@ -1663,7 +1648,7 @@
;;
esac
fi
- $ECHO "User subroutine name ($usersubname)? $ECHOTXT"
+ $ECHO "User subroutine name ($user)? $ECHOTXT"
read value
if test "$value"
then
@@ -1672,50 +1657,19 @@
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
+ ;;
+ esac
+ usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
;;
esac
fi
@@ -2256,11 +2210,12 @@
#
# user subroutine used
#
+# add DAMASK options for linking
+ DAMASK="-lstdc++"
if test "$user"
then
-# program=$user.marc
- program=$DIRJOB/`$BASENAME $user .f`.marc
+ program=$usernoext.marc
case $program in
\/* | \.\/*)
bd=
@@ -2373,7 +2328,7 @@
fi
if test "$user"
then
- execpath=$DIRJOB/`$BASENAME $user .f`.marc
+ execpath=$usernoext.marc
usersub=1
fi
export execpath
@@ -3256,44 +3211,27 @@
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=$usermoext.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
@@ -3313,7 +3251,8 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
- $SFLIB \
+ $DAMASK \
+ $SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
$SECLIBS || \
@@ -3326,6 +3265,8 @@
prgsav=yes
fi
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
#
# run marc
@@ -3372,7 +3313,7 @@
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
@@ -3538,7 +3479,7 @@
# 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"
@@ -3551,21 +3492,21 @@
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 $remoteuser 2> /dev/null
fi
fi
fi
@@ -3575,39 +3516,27 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
- userobj=$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
- 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
@@ -3627,7 +3556,8 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
- $SFLIB \
+ $DAMASK \
+ $SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
$SECLIBS || \
@@ -3668,6 +3598,8 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
#
# run marc
@@ -3726,42 +3658,42 @@
counter=0
if test -f "$host_filt"
then
- for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
- do
- ibase=${i%%.*}
- if test $ibase != $thishost
+ for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
+ do
+ ibase=${i%%.*}
+ if test $ibase != $thishost
+ then
+ counter=$((counter+1))
+ DIR1=$DIRJOB
+ line=`grep -v '^#' $userhost | grep "^$ibase "`
+ workdir=`echo $line | $AWK '{print $3}'`
+ if test -n "$workdir"
then
- counter=$((counter+1))
- DIR1=$DIRJOB
- line=`grep -v '^#' $userhost | grep "^$ibase "`
- workdir=`echo $line | $AWK '{print $3}'`
- if test -n "$workdir"
- then
- DIR1=$workdir
- fi
- # if an incompatible host uses shared directory,
- # then the root machine deletes the executable
- if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
- then
- hname=_$ibase
- /bin/rm ${execname}$hname
- fi
- # if local directory used, the remote machine
- # deletes the executable
- if test ${dirstatus[$counter]} = "local"
- then
- $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
- fi
+ DIR1=$workdir
fi
- done
- fi
+ # if an incompatible host uses shared directory,
+ # then the root machine deletes the executable
+ if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
+ then
+ hname=_$ibase
+ /bin/rm ${execname}$hname
+ fi
+ # if local directory used, the remote machine
+ # deletes the executable
+ if test ${dirstatus[$counter]} = "local"
+ then
+ $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
+ fi
+ fi
+ done
fi
fi
+fi
fi
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
@@ -3886,7 +3818,7 @@
# 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"
@@ -3899,20 +3831,20 @@
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 $remoteuser 2> /dev/null
fi
fi
fi
@@ -3922,37 +3854,25 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
- userobj=$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
- 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
@@ -3972,6 +3892,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -4012,7 +3933,8 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
-
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
# done if no job id given
if test -z "$jid"
then
@@ -4052,7 +3974,7 @@
RUN_JOB="$BINDIR/exeddm $RUN_JOB -ddm $ddm_arc "
fi
-$RUN_JOB
+ $RUN_JOB
if test $nprocd -gt 1
then
@@ -4096,42 +4018,42 @@
counter=0
if test -f "$host_filt"
then
- for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
- do
- ibase=${i%%.*}
- if test $ibase != $thishost
+ for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
+ do
+ ibase=${i%%.*}
+ if test $ibase != $thishost
+ then
+ counter=$((counter+1))
+ DIR1=$DIRJOB
+ line=`grep -v '^#' $userhost | grep "^$ibase "`
+ workdir=`echo $line | $AWK '{print $3}'`
+ if test -n "$workdir"
then
- counter=$((counter+1))
- DIR1=$DIRJOB
- line=`grep -v '^#' $userhost | grep "^$ibase "`
- workdir=`echo $line | $AWK '{print $3}'`
- if test -n "$workdir"
- then
- DIR1=$workdir
- fi
- # if an incompatible host uses shared directory,
- # then the root machine deletes the executable
- if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
- then
- hname=_$ibase
- /bin/rm ${execname}$hname
- fi
- # if local directory used, the remote machine
- # deletes the executable
- if test ${dirstatus[$counter]} = "local"
- then
- $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
- fi
+ DIR1=$workdir
fi
- done
- fi
+ # if an incompatible host uses shared directory,
+ # then the root machine deletes the executable
+ if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
+ then
+ hname=_$ibase
+ /bin/rm ${execname}$hname
+ fi
+ # if local directory used, the remote machine
+ # deletes the executable
+ if test ${dirstatus[$counter]} = "local"
+ then
+ $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
+ fi
+ fi
+ done
fi
fi
+fi
fi
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

662
install/MarcMentat/2020/Marc_tools/run_damask_lmp.patch vendored Normal file
View File

@ -0,0 +1,662 @@
---
+++
@@ -298,7 +298,23 @@
. "$DIR/getarch"
+
+# getting user subroutine file name
+found=0
+for i in "$@"; 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)
. $MARC_INCLUDE
+
#
#
@@ -399,7 +415,7 @@
did=
vid=
user=
-usersubname=
+usernoext=
objs=
qid=background
cpu=
@@ -568,7 +584,7 @@
justlist=yes
;;
-fe* | -FE*)
- feature=$value
+ feature=$value
;;
-pr* | -PR*)
@@ -664,50 +680,19 @@
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"
@@ -1188,12 +1173,12 @@
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"
@@ -1367,7 +1352,7 @@
else
error="$error
job id required"
- fi
+fi
fi
case $qid in
@@ -1508,7 +1493,7 @@
Marc shared lib : $progdll
Version type : $mode
Job ID : $DIRJID/$jid
-User subroutine name : $usersubname
+User subroutine name : $user
User objects/libs : $objs
Restart file job ID : $rid
Substructure file ID : $sid
@@ -1540,7 +1525,7 @@
Marc shared lib : $progdll
Version type : $mode
Job ID : $DIRJID/$jid
-User subroutine name : $usersubname
+User subroutine name : $user
User objects/libs : $objs
Restart file job ID : $rid
Substructure file ID : $sid
@@ -1663,7 +1648,7 @@
;;
esac
fi
- $ECHO "User subroutine name ($usersubname)? $ECHOTXT"
+ $ECHO "User subroutine name ($user)? $ECHOTXT"
read value
if test "$value"
then
@@ -1672,50 +1657,19 @@
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
+ ;;
+ esac
+ usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
;;
esac
fi
@@ -2256,11 +2210,12 @@
#
# user subroutine used
#
+# add DAMASK options for linking
+ DAMASK="-lstdc++"
if test "$user"
then
-# program=$user.marc
- program=$DIRJOB/`$BASENAME $user .f`.marc
+ program=$usernoext.marc
case $program in
\/* | \.\/*)
bd=
@@ -2373,7 +2328,7 @@
fi
if test "$user"
then
- execpath=$DIRJOB/`$BASENAME $user .f`.marc
+ execpath=$usernoext.marc
usersub=1
fi
export execpath
@@ -3256,44 +3211,27 @@
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=$usermoext.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
@@ -3313,7 +3251,8 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
- $SFLIB \
+ $DAMASK \
+ $SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
$SECLIBS || \
@@ -3326,6 +3265,8 @@
prgsav=yes
fi
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
#
# run marc
@@ -3372,7 +3313,7 @@
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
@@ -3538,7 +3479,7 @@
# 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"
@@ -3551,21 +3492,21 @@
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 $remoteuser 2> /dev/null
fi
fi
fi
@@ -3575,39 +3516,27 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
- userobj=$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
- 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
@@ -3627,7 +3556,8 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
- $SFLIB \
+ $DAMASK \
+ $SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
$SECLIBS || \
@@ -3668,6 +3598,8 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
#
# run marc
@@ -3726,42 +3658,42 @@
counter=0
if test -f "$host_filt"
then
- for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
- do
- ibase=${i%%.*}
- if test $ibase != $thishost
+ for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
+ do
+ ibase=${i%%.*}
+ if test $ibase != $thishost
+ then
+ counter=$((counter+1))
+ DIR1=$DIRJOB
+ line=`grep -v '^#' $userhost | grep "^$ibase "`
+ workdir=`echo $line | $AWK '{print $3}'`
+ if test -n "$workdir"
then
- counter=$((counter+1))
- DIR1=$DIRJOB
- line=`grep -v '^#' $userhost | grep "^$ibase "`
- workdir=`echo $line | $AWK '{print $3}'`
- if test -n "$workdir"
- then
- DIR1=$workdir
- fi
- # if an incompatible host uses shared directory,
- # then the root machine deletes the executable
- if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
- then
- hname=_$ibase
- /bin/rm ${execname}$hname
- fi
- # if local directory used, the remote machine
- # deletes the executable
- if test ${dirstatus[$counter]} = "local"
- then
- $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
- fi
+ DIR1=$workdir
fi
- done
- fi
+ # if an incompatible host uses shared directory,
+ # then the root machine deletes the executable
+ if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
+ then
+ hname=_$ibase
+ /bin/rm ${execname}$hname
+ fi
+ # if local directory used, the remote machine
+ # deletes the executable
+ if test ${dirstatus[$counter]} = "local"
+ then
+ $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
+ fi
+ fi
+ done
fi
fi
+fi
fi
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
@@ -3886,7 +3818,7 @@
# 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"
@@ -3899,20 +3831,20 @@
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 $remoteuser 2> /dev/null
fi
fi
fi
@@ -3922,37 +3854,25 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
- userobj=$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
- 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
@@ -3972,6 +3892,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -4012,7 +3933,8 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
-
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
# done if no job id given
if test -z "$jid"
then
@@ -4052,7 +3974,7 @@
RUN_JOB="$BINDIR/exeddm $RUN_JOB -ddm $ddm_arc "
fi
-$RUN_JOB
+ $RUN_JOB
if test $nprocd -gt 1
then
@@ -4096,42 +4018,42 @@
counter=0
if test -f "$host_filt"
then
- for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
- do
- ibase=${i%%.*}
- if test $ibase != $thishost
+ for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
+ do
+ ibase=${i%%.*}
+ if test $ibase != $thishost
+ then
+ counter=$((counter+1))
+ DIR1=$DIRJOB
+ line=`grep -v '^#' $userhost | grep "^$ibase "`
+ workdir=`echo $line | $AWK '{print $3}'`
+ if test -n "$workdir"
then
- counter=$((counter+1))
- DIR1=$DIRJOB
- line=`grep -v '^#' $userhost | grep "^$ibase "`
- workdir=`echo $line | $AWK '{print $3}'`
- if test -n "$workdir"
- then
- DIR1=$workdir
- fi
- # if an incompatible host uses shared directory,
- # then the root machine deletes the executable
- if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
- then
- hname=_$ibase
- /bin/rm ${execname}$hname
- fi
- # if local directory used, the remote machine
- # deletes the executable
- if test ${dirstatus[$counter]} = "local"
- then
- $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
- fi
+ DIR1=$workdir
fi
- done
- fi
+ # if an incompatible host uses shared directory,
+ # then the root machine deletes the executable
+ if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
+ then
+ hname=_$ibase
+ /bin/rm ${execname}$hname
+ fi
+ # if local directory used, the remote machine
+ # deletes the executable
+ if test ${dirstatus[$counter]} = "local"
+ then
+ $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
+ fi
+ fi
+ done
fi
fi
+fi
fi
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

662
install/MarcMentat/2020/Marc_tools/run_damask_mp.patch vendored Normal file
View File

@ -0,0 +1,662 @@
---
+++
@@ -298,7 +298,23 @@
. "$DIR/getarch"
+
+# getting user subroutine file name
+found=0
+for i in "$@"; 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)
. $MARC_INCLUDE
+
#
#
@@ -399,7 +415,7 @@
did=
vid=
user=
-usersubname=
+usernoext=
objs=
qid=background
cpu=
@@ -568,7 +584,7 @@
justlist=yes
;;
-fe* | -FE*)
- feature=$value
+ feature=$value
;;
-pr* | -PR*)
@@ -664,50 +680,19 @@
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"
@@ -1188,12 +1173,12 @@
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"
@@ -1367,7 +1352,7 @@
else
error="$error
job id required"
- fi
+fi
fi
case $qid in
@@ -1508,7 +1493,7 @@
Marc shared lib : $progdll
Version type : $mode
Job ID : $DIRJID/$jid
-User subroutine name : $usersubname
+User subroutine name : $user
User objects/libs : $objs
Restart file job ID : $rid
Substructure file ID : $sid
@@ -1540,7 +1525,7 @@
Marc shared lib : $progdll
Version type : $mode
Job ID : $DIRJID/$jid
-User subroutine name : $usersubname
+User subroutine name : $user
User objects/libs : $objs
Restart file job ID : $rid
Substructure file ID : $sid
@@ -1663,7 +1648,7 @@
;;
esac
fi
- $ECHO "User subroutine name ($usersubname)? $ECHOTXT"
+ $ECHO "User subroutine name ($user)? $ECHOTXT"
read value
if test "$value"
then
@@ -1672,50 +1657,19 @@
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
+ ;;
+ esac
+ usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
;;
esac
fi
@@ -2256,11 +2210,12 @@
#
# user subroutine used
#
+# add DAMASK options for linking
+ DAMASK="-lstdc++"
if test "$user"
then
-# program=$user.marc
- program=$DIRJOB/`$BASENAME $user .f`.marc
+ program=$usernoext.marc
case $program in
\/* | \.\/*)
bd=
@@ -2373,7 +2328,7 @@
fi
if test "$user"
then
- execpath=$DIRJOB/`$BASENAME $user .f`.marc
+ execpath=$usernoext.marc
usersub=1
fi
export execpath
@@ -3256,44 +3211,27 @@
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=$usermoext.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
@@ -3313,7 +3251,8 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
- $SFLIB \
+ $DAMASK \
+ $SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
$SECLIBS || \
@@ -3326,6 +3265,8 @@
prgsav=yes
fi
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
#
# run marc
@@ -3372,7 +3313,7 @@
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
@@ -3538,7 +3479,7 @@
# 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"
@@ -3551,21 +3492,21 @@
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 $remoteuser 2> /dev/null
fi
fi
fi
@@ -3575,39 +3516,27 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
- userobj=$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
- 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
@@ -3627,7 +3556,8 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
- $SFLIB \
+ $DAMASK \
+ $SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
$SECLIBS || \
@@ -3668,6 +3598,8 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
#
# run marc
@@ -3726,42 +3658,42 @@
counter=0
if test -f "$host_filt"
then
- for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
- do
- ibase=${i%%.*}
- if test $ibase != $thishost
+ for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
+ do
+ ibase=${i%%.*}
+ if test $ibase != $thishost
+ then
+ counter=$((counter+1))
+ DIR1=$DIRJOB
+ line=`grep -v '^#' $userhost | grep "^$ibase "`
+ workdir=`echo $line | $AWK '{print $3}'`
+ if test -n "$workdir"
then
- counter=$((counter+1))
- DIR1=$DIRJOB
- line=`grep -v '^#' $userhost | grep "^$ibase "`
- workdir=`echo $line | $AWK '{print $3}'`
- if test -n "$workdir"
- then
- DIR1=$workdir
- fi
- # if an incompatible host uses shared directory,
- # then the root machine deletes the executable
- if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
- then
- hname=_$ibase
- /bin/rm ${execname}$hname
- fi
- # if local directory used, the remote machine
- # deletes the executable
- if test ${dirstatus[$counter]} = "local"
- then
- $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
- fi
+ DIR1=$workdir
fi
- done
- fi
+ # if an incompatible host uses shared directory,
+ # then the root machine deletes the executable
+ if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
+ then
+ hname=_$ibase
+ /bin/rm ${execname}$hname
+ fi
+ # if local directory used, the remote machine
+ # deletes the executable
+ if test ${dirstatus[$counter]} = "local"
+ then
+ $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
+ fi
+ fi
+ done
fi
fi
+fi
fi
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
@@ -3886,7 +3818,7 @@
# 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"
@@ -3899,20 +3831,20 @@
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 $remoteuser 2> /dev/null
fi
fi
fi
@@ -3922,37 +3854,25 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
- userobj=$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
- 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
@@ -3972,6 +3892,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -4012,7 +3933,8 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
-
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
# done if no job id given
if test -z "$jid"
then
@@ -4052,7 +3974,7 @@
RUN_JOB="$BINDIR/exeddm $RUN_JOB -ddm $ddm_arc "
fi
-$RUN_JOB
+ $RUN_JOB
if test $nprocd -gt 1
then
@@ -4096,42 +4018,42 @@
counter=0
if test -f "$host_filt"
then
- for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
- do
- ibase=${i%%.*}
- if test $ibase != $thishost
+ for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
+ do
+ ibase=${i%%.*}
+ if test $ibase != $thishost
+ then
+ counter=$((counter+1))
+ DIR1=$DIRJOB
+ line=`grep -v '^#' $userhost | grep "^$ibase "`
+ workdir=`echo $line | $AWK '{print $3}'`
+ if test -n "$workdir"
then
- counter=$((counter+1))
- DIR1=$DIRJOB
- line=`grep -v '^#' $userhost | grep "^$ibase "`
- workdir=`echo $line | $AWK '{print $3}'`
- if test -n "$workdir"
- then
- DIR1=$workdir
- fi
- # if an incompatible host uses shared directory,
- # then the root machine deletes the executable
- if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
- then
- hname=_$ibase
- /bin/rm ${execname}$hname
- fi
- # if local directory used, the remote machine
- # deletes the executable
- if test ${dirstatus[$counter]} = "local"
- then
- $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
- fi
+ DIR1=$workdir
fi
- done
- fi
+ # if an incompatible host uses shared directory,
+ # then the root machine deletes the executable
+ if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
+ then
+ hname=_$ibase
+ /bin/rm ${execname}$hname
+ fi
+ # if local directory used, the remote machine
+ # deletes the executable
+ if test ${dirstatus[$counter]} = "local"
+ then
+ $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
+ fi
+ fi
+ done
fi
fi
+fi
fi
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

24
install/MarcMentat/2020/Mentat_bin/edit_window.patch vendored Normal file
View File

@ -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
install/MarcMentat/2020/Mentat_bin/kill4.patch vendored Normal file
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0
install/MarcMentat/2020/Mentat_bin/kill5.patch vendored Normal file
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0
install/MarcMentat/2020/Mentat_bin/kill6.patch vendored Normal file
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42
install/MarcMentat/2020/Mentat_bin/submit4.patch vendored Normal file
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@ -0,0 +1,42 @@
---
+++
@@ -4,7 +4,8 @@
# Normal exit status is 0.
#
-DIR=/tmp/msc/marc2020
+DIR=%INSTALLDIR%/marc2020
+
if test $MARCDIR1
then
DIR=$MARCDIR1
@@ -59,10 +60,10 @@
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
@@ -87,6 +88,7 @@
srcfile="-u $srcfile -save y"
;;
runsaved)
+ srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
@@ -181,7 +183,7 @@
unset PYTHONHOME
unset PYTHONPATH
-"${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

42
install/MarcMentat/2020/Mentat_bin/submit5.patch vendored Normal file
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@ -0,0 +1,42 @@
---
+++
@@ -4,7 +4,8 @@
# Normal exit status is 0.
#
-DIR=/tmp/msc/marc2020
+DIR=%INSTALLDIR%/marc2020
+
if test $MARCDIR1
then
DIR=$MARCDIR1
@@ -59,10 +60,10 @@
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
@@ -87,6 +88,7 @@
srcfile="-u $srcfile -save y"
;;
runsaved)
+ srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
@@ -181,7 +183,7 @@
unset PYTHONHOME
unset PYTHONPATH
-"${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

42
install/MarcMentat/2020/Mentat_bin/submit6.patch vendored Normal file
View File

@ -0,0 +1,42 @@
---
+++
@@ -4,7 +4,8 @@
# Normal exit status is 0.
#
-DIR=/tmp/msc/marc2020
+DIR=%INSTALLDIR%/marc2020
+
if test $MARCDIR1
then
DIR=$MARCDIR1
@@ -59,10 +60,10 @@
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
@@ -87,6 +88,7 @@
srcfile="-u $srcfile -save y"
;;
runsaved)
+ srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
@@ -181,7 +183,7 @@
unset PYTHONHOME
unset PYTHONPATH
-"${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

156
install/MarcMentat/2020/Mentat_menus/job_run.ms.patch vendored Normal file
View File

@ -0,0 +1,156 @@
---
+++
@@ -260,10 +260,17 @@
}
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
@@ -1123,6 +1130,134 @@
mode permanent
}
+#--------------------------------------------------------------------------------------------------
+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 "O2 / 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 {

48
install/MarcMentat/2021.2/Marc_tools/comp_damask_hmp.patch vendored Normal file
View File

@ -0,0 +1,48 @@
---
+++
@@ -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 +42,12 @@
$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

48
install/MarcMentat/2021.2/Marc_tools/comp_damask_lmp.patch vendored Normal file
View File

@ -0,0 +1,48 @@
---
+++
@@ -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 +42,12 @@
$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

48
install/MarcMentat/2021.2/Marc_tools/comp_damask_mp.patch vendored Normal file
View File

@ -0,0 +1,48 @@
---
+++
@@ -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 +42,12 @@
$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

101
install/MarcMentat/2021.2/Marc_tools/include_linux64.patch vendored Normal file
View File

@ -0,0 +1,101 @@
---
+++
@@ -118,6 +118,11 @@
if test "$MSCCOSIM_VERSION" = ""; then
MSCCOSIM_VERSION="2020"
fi
+
+# DAMASK uses the HDF5 compiler wrapper around the Intel compiler
+H5FC="$(h5fc -shlib -show)"
+HDF5_LIB=${H5FC//ifort/}
+FCOMP="$H5FC -DDAMASK_HDF5"
# AEM
if test "$MARCDLLOUTDIR" = ""; then
@@ -439,8 +444,8 @@
I8DEFINES=
I8CDEFINES=
else
- I8FFLAGS="-i8"
- I8DEFINES="-DI64"
+ I8FFLAGS="-i8 -integer-size 64"
+ I8DEFINES="-DI64 -DINT=8"
I8CDEFINES="-U_DOUBLE -D_SINGLE"
fi
@@ -556,7 +561,7 @@
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"
@@ -569,7 +574,7 @@
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 \
@@ -582,6 +587,30 @@
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
# for compiling free form f90 files. high opt, integer(4)
FORTF90="$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=2020 -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=2020 -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=2020 -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
@@ -739,7 +768,7 @@
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
@@ -762,7 +791,7 @@
OPENSSL=NONE
fi
-SYSLIBS=" $OPENMP -lpthread -shared-intel -cxxlib"
+SYSLIBS=" $OPENMP -lpthread -cxxlib"
# Uncomment the following lines to turn on the trace and comment out the next 4 lines
# if test $MPITYPE = intelmpi
@@ -772,7 +801,7 @@
# fi
if test $MPITYPE = intelmpi
then
- SYSLIBS="-L${MPI_ROOT}/lib/release -lmpi -L${MPI_ROOT}/lib -lmpifort -lrt $OPENMP -threads -lpthread -shared-intel -cxxlib"
+ SYSLIBS="-L${MPI_ROOT}/lib/release -lmpi -L${MPI_ROOT}/lib -lmpifort -lrt $OPENMP -threads -lpthread -cxxlib"
fi
if test "$ZLIB" = "ZLIB"; then

708
install/MarcMentat/2021.2/Marc_tools/run_damask_hmp.patch vendored Normal file
View File

@ -0,0 +1,708 @@
---
+++
@@ -302,7 +302,23 @@
. "$DIR/getarch"
+
+# getting user subroutine file name
+found=0
+for i in "$@"; 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)
. $MARC_INCLUDE
+
#
#
@@ -403,7 +419,7 @@
did=
vid=
user=
-usersubname=
+usernoext=
objs=
qid=background
cpu=
@@ -571,7 +587,7 @@
justlist=yes
;;
-fe* | -FE*)
- feature=$value
+ feature=$value
;;
-pr* | -PR*)
@@ -667,50 +683,19 @@
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"
@@ -730,19 +715,19 @@
;;
esac
;;
- -dl | -DL)
- case $value in
- y* | Y*)
- deletelog=yes
- ;;
- n* | N*)
- deletelog=no
- ;;
- *)
- ;;
- esac
-
- ;;
+ -dl | -DL)
+ case $value in
+ y* | Y*)
+ deletelog=yes
+ ;;
+ n* | N*)
+ deletelog=no
+ ;;
+ *)
+ ;;
+ esac
+
+ ;;
-at | -AT)
att=$value
;;
@@ -1190,12 +1175,12 @@
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"
@@ -1369,7 +1354,7 @@
else
error="$error
job id required"
- fi
+fi
fi
case $qid in
@@ -1514,7 +1499,7 @@
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
@@ -1545,7 +1530,7 @@
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
@@ -1668,7 +1653,7 @@
;;
esac
fi
- $ECHO "User subroutine name ($usersubname)? $ECHOTXT"
+ $ECHO "User subroutine name ($user)? $ECHOTXT"
read value
if test "$value"
then
@@ -1677,50 +1662,19 @@
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
+ ;;
+ esac
+ usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
;;
esac
fi
@@ -2255,11 +2209,12 @@
#
# user subroutine used
#
+# add DAMASK options for linking
+ DAMASK="-lstdc++"
if test "$user"
then
-# program=$user.marc
- program=$DIRJOB/`$BASENAME $user .f`.marc
+ program=$usernoext.marc
case $program in
\/* | \.\/*)
bd=
@@ -2372,7 +2327,7 @@
fi
if test "$user"
then
- execpath=$DIRJOB/`$BASENAME $user .f`.marc
+ execpath=$usernoext.marc
usersub=1
fi
export execpath
@@ -3255,44 +3210,27 @@
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=$usermoext.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
@@ -3312,10 +3250,11 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
- $SFLIB \
+ $DAMASK \
+ $SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
- $SECLIBS || \
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
exit 1
@@ -3325,6 +3264,8 @@
prgsav=yes
fi
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
#
# run marc
@@ -3371,7 +3312,7 @@
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
@@ -3537,7 +3478,7 @@
# 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"
@@ -3550,21 +3491,21 @@
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 $remoteuser 2> /dev/null
fi
fi
fi
@@ -3574,39 +3515,27 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
- userobj=$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
- 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
@@ -3626,10 +3555,11 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
- $SFLIB \
+ $DAMASK \
+ $SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
- $SECLIBS || \
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
echo " $PRODUCT Exit number 3"
@@ -3667,6 +3597,8 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
#
# run marc
@@ -3725,42 +3657,42 @@
counter=0
if test -f "$host_filt"
then
- for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
- do
- ibase=${i%%.*}
- if test $ibase != $thishost
+ for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
+ do
+ ibase=${i%%.*}
+ if test $ibase != $thishost
+ then
+ counter=$((counter+1))
+ DIR1=$DIRJOB
+ line=`grep -v '^#' $userhost | grep "^$ibase "`
+ workdir=`echo $line | $AWK '{print $3}'`
+ if test -n "$workdir"
then
- counter=$((counter+1))
- DIR1=$DIRJOB
- line=`grep -v '^#' $userhost | grep "^$ibase "`
- workdir=`echo $line | $AWK '{print $3}'`
- if test -n "$workdir"
- then
- DIR1=$workdir
- fi
- # if an incompatible host uses shared directory,
- # then the root machine deletes the executable
- if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
- then
- hname=_$ibase
- /bin/rm ${execname}$hname
- fi
- # if local directory used, the remote machine
- # deletes the executable
- if test ${dirstatus[$counter]} = "local"
- then
- $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
- fi
+ DIR1=$workdir
fi
- done
- fi
+ # if an incompatible host uses shared directory,
+ # then the root machine deletes the executable
+ if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
+ then
+ hname=_$ibase
+ /bin/rm ${execname}$hname
+ fi
+ # if local directory used, the remote machine
+ # deletes the executable
+ if test ${dirstatus[$counter]} = "local"
+ then
+ $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
+ fi
+ fi
+ done
fi
fi
+fi
fi
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
@@ -3885,7 +3817,7 @@
# 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"
@@ -3898,20 +3830,20 @@
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 $remoteuser 2> /dev/null
fi
fi
fi
@@ -3921,37 +3853,25 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
- userobj=$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
- 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
@@ -3971,10 +3891,11 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
- $SECLIBS || \
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
exit 1
@@ -4011,7 +3932,8 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
-
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
# done if no job id given
if test -z "$jid"
then
@@ -4051,7 +3973,7 @@
RUN_JOB="$BINDIR/exeddm $RUN_JOB -ddm $ddm_arc "
fi
-$RUN_JOB
+ $RUN_JOB
if test $nprocd -gt 1
then
@@ -4095,42 +4017,42 @@
counter=0
if test -f "$host_filt"
then
- for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
- do
- ibase=${i%%.*}
- if test $ibase != $thishost
+ for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
+ do
+ ibase=${i%%.*}
+ if test $ibase != $thishost
+ then
+ counter=$((counter+1))
+ DIR1=$DIRJOB
+ line=`grep -v '^#' $userhost | grep "^$ibase "`
+ workdir=`echo $line | $AWK '{print $3}'`
+ if test -n "$workdir"
then
- counter=$((counter+1))
- DIR1=$DIRJOB
- line=`grep -v '^#' $userhost | grep "^$ibase "`
- workdir=`echo $line | $AWK '{print $3}'`
- if test -n "$workdir"
- then
- DIR1=$workdir
- fi
- # if an incompatible host uses shared directory,
- # then the root machine deletes the executable
- if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
- then
- hname=_$ibase
- /bin/rm ${execname}$hname
- fi
- # if local directory used, the remote machine
- # deletes the executable
- if test ${dirstatus[$counter]} = "local"
- then
- $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
- fi
+ DIR1=$workdir
fi
- done
- fi
+ # if an incompatible host uses shared directory,
+ # then the root machine deletes the executable
+ if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
+ then
+ hname=_$ibase
+ /bin/rm ${execname}$hname
+ fi
+ # if local directory used, the remote machine
+ # deletes the executable
+ if test ${dirstatus[$counter]} = "local"
+ then
+ $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
+ fi
+ fi
+ done
fi
fi
+fi
fi
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

708
install/MarcMentat/2021.2/Marc_tools/run_damask_lmp.patch vendored Normal file
View File

@ -0,0 +1,708 @@
---
+++
@@ -302,7 +302,23 @@
. "$DIR/getarch"
+
+# getting user subroutine file name
+found=0
+for i in "$@"; 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)
. $MARC_INCLUDE
+
#
#
@@ -403,7 +419,7 @@
did=
vid=
user=
-usersubname=
+usernoext=
objs=
qid=background
cpu=
@@ -571,7 +587,7 @@
justlist=yes
;;
-fe* | -FE*)
- feature=$value
+ feature=$value
;;
-pr* | -PR*)
@@ -667,50 +683,19 @@
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"
@@ -730,19 +715,19 @@
;;
esac
;;
- -dl | -DL)
- case $value in
- y* | Y*)
- deletelog=yes
- ;;
- n* | N*)
- deletelog=no
- ;;
- *)
- ;;
- esac
-
- ;;
+ -dl | -DL)
+ case $value in
+ y* | Y*)
+ deletelog=yes
+ ;;
+ n* | N*)
+ deletelog=no
+ ;;
+ *)
+ ;;
+ esac
+
+ ;;
-at | -AT)
att=$value
;;
@@ -1190,12 +1175,12 @@
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"
@@ -1369,7 +1354,7 @@
else
error="$error
job id required"
- fi
+fi
fi
case $qid in
@@ -1514,7 +1499,7 @@
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
@@ -1545,7 +1530,7 @@
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
@@ -1668,7 +1653,7 @@
;;
esac
fi
- $ECHO "User subroutine name ($usersubname)? $ECHOTXT"
+ $ECHO "User subroutine name ($user)? $ECHOTXT"
read value
if test "$value"
then
@@ -1677,50 +1662,19 @@
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
+ ;;
+ esac
+ usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
;;
esac
fi
@@ -2255,11 +2209,12 @@
#
# user subroutine used
#
+# add DAMASK options for linking
+ DAMASK="-lstdc++"
if test "$user"
then
-# program=$user.marc
- program=$DIRJOB/`$BASENAME $user .f`.marc
+ program=$usernoext.marc
case $program in
\/* | \.\/*)
bd=
@@ -2372,7 +2327,7 @@
fi
if test "$user"
then
- execpath=$DIRJOB/`$BASENAME $user .f`.marc
+ execpath=$usernoext.marc
usersub=1
fi
export execpath
@@ -3255,44 +3210,27 @@
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=$usermoext.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
@@ -3312,10 +3250,11 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
- $SFLIB \
+ $DAMASK \
+ $SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
- $SECLIBS || \
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
exit 1
@@ -3325,6 +3264,8 @@
prgsav=yes
fi
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
#
# run marc
@@ -3371,7 +3312,7 @@
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
@@ -3537,7 +3478,7 @@
# 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"
@@ -3550,21 +3491,21 @@
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 $remoteuser 2> /dev/null
fi
fi
fi
@@ -3574,39 +3515,27 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
- userobj=$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
- 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
@@ -3626,10 +3555,11 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
- $SFLIB \
+ $DAMASK \
+ $SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
- $SECLIBS || \
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
echo " $PRODUCT Exit number 3"
@@ -3667,6 +3597,8 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
#
# run marc
@@ -3725,42 +3657,42 @@
counter=0
if test -f "$host_filt"
then
- for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
- do
- ibase=${i%%.*}
- if test $ibase != $thishost
+ for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
+ do
+ ibase=${i%%.*}
+ if test $ibase != $thishost
+ then
+ counter=$((counter+1))
+ DIR1=$DIRJOB
+ line=`grep -v '^#' $userhost | grep "^$ibase "`
+ workdir=`echo $line | $AWK '{print $3}'`
+ if test -n "$workdir"
then
- counter=$((counter+1))
- DIR1=$DIRJOB
- line=`grep -v '^#' $userhost | grep "^$ibase "`
- workdir=`echo $line | $AWK '{print $3}'`
- if test -n "$workdir"
- then
- DIR1=$workdir
- fi
- # if an incompatible host uses shared directory,
- # then the root machine deletes the executable
- if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
- then
- hname=_$ibase
- /bin/rm ${execname}$hname
- fi
- # if local directory used, the remote machine
- # deletes the executable
- if test ${dirstatus[$counter]} = "local"
- then
- $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
- fi
+ DIR1=$workdir
fi
- done
- fi
+ # if an incompatible host uses shared directory,
+ # then the root machine deletes the executable
+ if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
+ then
+ hname=_$ibase
+ /bin/rm ${execname}$hname
+ fi
+ # if local directory used, the remote machine
+ # deletes the executable
+ if test ${dirstatus[$counter]} = "local"
+ then
+ $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
+ fi
+ fi
+ done
fi
fi
+fi
fi
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
@@ -3885,7 +3817,7 @@
# 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"
@@ -3898,20 +3830,20 @@
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 $remoteuser 2> /dev/null
fi
fi
fi
@@ -3921,37 +3853,25 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
- userobj=$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
- 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
@@ -3971,10 +3891,11 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
- $SECLIBS || \
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
exit 1
@@ -4011,7 +3932,8 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
-
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
# done if no job id given
if test -z "$jid"
then
@@ -4051,7 +3973,7 @@
RUN_JOB="$BINDIR/exeddm $RUN_JOB -ddm $ddm_arc "
fi
-$RUN_JOB
+ $RUN_JOB
if test $nprocd -gt 1
then
@@ -4095,42 +4017,42 @@
counter=0
if test -f "$host_filt"
then
- for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
- do
- ibase=${i%%.*}
- if test $ibase != $thishost
+ for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
+ do
+ ibase=${i%%.*}
+ if test $ibase != $thishost
+ then
+ counter=$((counter+1))
+ DIR1=$DIRJOB
+ line=`grep -v '^#' $userhost | grep "^$ibase "`
+ workdir=`echo $line | $AWK '{print $3}'`
+ if test -n "$workdir"
then
- counter=$((counter+1))
- DIR1=$DIRJOB
- line=`grep -v '^#' $userhost | grep "^$ibase "`
- workdir=`echo $line | $AWK '{print $3}'`
- if test -n "$workdir"
- then
- DIR1=$workdir
- fi
- # if an incompatible host uses shared directory,
- # then the root machine deletes the executable
- if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
- then
- hname=_$ibase
- /bin/rm ${execname}$hname
- fi
- # if local directory used, the remote machine
- # deletes the executable
- if test ${dirstatus[$counter]} = "local"
- then
- $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
- fi
+ DIR1=$workdir
fi
- done
- fi
+ # if an incompatible host uses shared directory,
+ # then the root machine deletes the executable
+ if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
+ then
+ hname=_$ibase
+ /bin/rm ${execname}$hname
+ fi
+ # if local directory used, the remote machine
+ # deletes the executable
+ if test ${dirstatus[$counter]} = "local"
+ then
+ $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
+ fi
+ fi
+ done
fi
fi
+fi
fi
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

708
install/MarcMentat/2021.2/Marc_tools/run_damask_mp.patch vendored Normal file
View File

@ -0,0 +1,708 @@
---
+++
@@ -302,7 +302,23 @@
. "$DIR/getarch"
+
+# getting user subroutine file name
+found=0
+for i in "$@"; 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)
. $MARC_INCLUDE
+
#
#
@@ -403,7 +419,7 @@
did=
vid=
user=
-usersubname=
+usernoext=
objs=
qid=background
cpu=
@@ -571,7 +587,7 @@
justlist=yes
;;
-fe* | -FE*)
- feature=$value
+ feature=$value
;;
-pr* | -PR*)
@@ -667,50 +683,19 @@
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"
@@ -730,19 +715,19 @@
;;
esac
;;
- -dl | -DL)
- case $value in
- y* | Y*)
- deletelog=yes
- ;;
- n* | N*)
- deletelog=no
- ;;
- *)
- ;;
- esac
-
- ;;
+ -dl | -DL)
+ case $value in
+ y* | Y*)
+ deletelog=yes
+ ;;
+ n* | N*)
+ deletelog=no
+ ;;
+ *)
+ ;;
+ esac
+
+ ;;
-at | -AT)
att=$value
;;
@@ -1190,12 +1175,12 @@
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"
@@ -1369,7 +1354,7 @@
else
error="$error
job id required"
- fi
+fi
fi
case $qid in
@@ -1514,7 +1499,7 @@
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
@@ -1545,7 +1530,7 @@
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
@@ -1668,7 +1653,7 @@
;;
esac
fi
- $ECHO "User subroutine name ($usersubname)? $ECHOTXT"
+ $ECHO "User subroutine name ($user)? $ECHOTXT"
read value
if test "$value"
then
@@ -1677,50 +1662,19 @@
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
+ ;;
+ esac
+ usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
;;
esac
fi
@@ -2255,11 +2209,12 @@
#
# user subroutine used
#
+# add DAMASK options for linking
+ DAMASK="-lstdc++"
if test "$user"
then
-# program=$user.marc
- program=$DIRJOB/`$BASENAME $user .f`.marc
+ program=$usernoext.marc
case $program in
\/* | \.\/*)
bd=
@@ -2372,7 +2327,7 @@
fi
if test "$user"
then
- execpath=$DIRJOB/`$BASENAME $user .f`.marc
+ execpath=$usernoext.marc
usersub=1
fi
export execpath
@@ -3255,44 +3210,27 @@
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=$usermoext.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
@@ -3312,10 +3250,11 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
- $SFLIB \
+ $DAMASK \
+ $SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
- $SECLIBS || \
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
exit 1
@@ -3325,6 +3264,8 @@
prgsav=yes
fi
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
#
# run marc
@@ -3371,7 +3312,7 @@
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
@@ -3537,7 +3478,7 @@
# 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"
@@ -3550,21 +3491,21 @@
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 $remoteuser 2> /dev/null
fi
fi
fi
@@ -3574,39 +3515,27 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
- userobj=$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
- 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
@@ -3626,10 +3555,11 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
- $SFLIB \
+ $DAMASK \
+ $SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
- $SECLIBS || \
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
echo " $PRODUCT Exit number 3"
@@ -3667,6 +3597,8 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
#
# run marc
@@ -3725,42 +3657,42 @@
counter=0
if test -f "$host_filt"
then
- for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
- do
- ibase=${i%%.*}
- if test $ibase != $thishost
+ for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
+ do
+ ibase=${i%%.*}
+ if test $ibase != $thishost
+ then
+ counter=$((counter+1))
+ DIR1=$DIRJOB
+ line=`grep -v '^#' $userhost | grep "^$ibase "`
+ workdir=`echo $line | $AWK '{print $3}'`
+ if test -n "$workdir"
then
- counter=$((counter+1))
- DIR1=$DIRJOB
- line=`grep -v '^#' $userhost | grep "^$ibase "`
- workdir=`echo $line | $AWK '{print $3}'`
- if test -n "$workdir"
- then
- DIR1=$workdir
- fi
- # if an incompatible host uses shared directory,
- # then the root machine deletes the executable
- if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
- then
- hname=_$ibase
- /bin/rm ${execname}$hname
- fi
- # if local directory used, the remote machine
- # deletes the executable
- if test ${dirstatus[$counter]} = "local"
- then
- $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
- fi
+ DIR1=$workdir
fi
- done
- fi
+ # if an incompatible host uses shared directory,
+ # then the root machine deletes the executable
+ if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
+ then
+ hname=_$ibase
+ /bin/rm ${execname}$hname
+ fi
+ # if local directory used, the remote machine
+ # deletes the executable
+ if test ${dirstatus[$counter]} = "local"
+ then
+ $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
+ fi
+ fi
+ done
fi
fi
+fi
fi
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
@@ -3885,7 +3817,7 @@
# 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"
@@ -3898,20 +3830,20 @@
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 $remoteuser 2> /dev/null
fi
fi
fi
@@ -3921,37 +3853,25 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
- userobj=$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
- 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
@@ -3971,10 +3891,11 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
- $SECLIBS || \
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
exit 1
@@ -4011,7 +3932,8 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
-
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
# done if no job id given
if test -z "$jid"
then
@@ -4051,7 +3973,7 @@
RUN_JOB="$BINDIR/exeddm $RUN_JOB -ddm $ddm_arc "
fi
-$RUN_JOB
+ $RUN_JOB
if test $nprocd -gt 1
then
@@ -4095,42 +4017,42 @@
counter=0
if test -f "$host_filt"
then
- for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
- do
- ibase=${i%%.*}
- if test $ibase != $thishost
+ for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
+ do
+ ibase=${i%%.*}
+ if test $ibase != $thishost
+ then
+ counter=$((counter+1))
+ DIR1=$DIRJOB
+ line=`grep -v '^#' $userhost | grep "^$ibase "`
+ workdir=`echo $line | $AWK '{print $3}'`
+ if test -n "$workdir"
then
- counter=$((counter+1))
- DIR1=$DIRJOB
- line=`grep -v '^#' $userhost | grep "^$ibase "`
- workdir=`echo $line | $AWK '{print $3}'`
- if test -n "$workdir"
- then
- DIR1=$workdir
- fi
- # if an incompatible host uses shared directory,
- # then the root machine deletes the executable
- if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
- then
- hname=_$ibase
- /bin/rm ${execname}$hname
- fi
- # if local directory used, the remote machine
- # deletes the executable
- if test ${dirstatus[$counter]} = "local"
- then
- $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
- fi
+ DIR1=$workdir
fi
- done
- fi
+ # if an incompatible host uses shared directory,
+ # then the root machine deletes the executable
+ if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
+ then
+ hname=_$ibase
+ /bin/rm ${execname}$hname
+ fi
+ # if local directory used, the remote machine
+ # deletes the executable
+ if test ${dirstatus[$counter]} = "local"
+ then
+ $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
+ fi
+ fi
+ done
fi
fi
+fi
fi
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

24
install/MarcMentat/2021.2/Mentat_bin/edit_window.patch vendored Normal file
View File

@ -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
install/MarcMentat/2021.2/Mentat_bin/kill4.patch vendored Normal file
View File

0
install/MarcMentat/2021.2/Mentat_bin/kill5.patch vendored Normal file
View File

0
install/MarcMentat/2021.2/Mentat_bin/kill6.patch vendored Normal file
View File

42
install/MarcMentat/2021.2/Mentat_bin/submit4.patch vendored Normal file
View File

@ -0,0 +1,42 @@
---
+++
@@ -4,7 +4,8 @@
# Normal exit status is 0.
#
-DIR=/nethome/f.roters/temp/msc/Marc2021.2/marc2021.2
+DIR=%INSTALLDIR%/marc2021.2
+
if test $MARCDIR1
then
DIR=$MARCDIR1
@@ -59,10 +60,10 @@
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
@@ -87,6 +88,7 @@
srcfile="-u $srcfile -save y"
;;
runsaved)
+ srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
@@ -181,7 +183,7 @@
unset PYTHONHOME
unset PYTHONPATH
-"${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

42
install/MarcMentat/2021.2/Mentat_bin/submit5.patch vendored Normal file
View File

@ -0,0 +1,42 @@
---
+++
@@ -4,7 +4,8 @@
# Normal exit status is 0.
#
-DIR=/nethome/f.roters/temp/msc/Marc2021.2/marc2021.2
+DIR=%INSTALLDIR%/marc2021.2
+
if test $MARCDIR1
then
DIR=$MARCDIR1
@@ -59,10 +60,10 @@
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
@@ -87,6 +88,7 @@
srcfile="-u $srcfile -save y"
;;
runsaved)
+ srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
@@ -181,7 +183,7 @@
unset PYTHONHOME
unset PYTHONPATH
-"${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

42
install/MarcMentat/2021.2/Mentat_bin/submit6.patch vendored Normal file
View File

@ -0,0 +1,42 @@
---
+++
@@ -4,7 +4,8 @@
# Normal exit status is 0.
#
-DIR=/nethome/f.roters/temp/msc/Marc2021.2/marc2021.2
+DIR=%INSTALLDIR%/marc2021.2
+
if test $MARCDIR1
then
DIR=$MARCDIR1
@@ -59,10 +60,10 @@
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
@@ -87,6 +88,7 @@
srcfile="-u $srcfile -save y"
;;
runsaved)
+ srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
@@ -181,7 +183,7 @@
unset PYTHONHOME
unset PYTHONPATH
-"${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

157
install/MarcMentat/2021.2/Mentat_menus/job_run.ms.patch vendored Normal file
View File

@ -0,0 +1,157 @@
---
+++
@@ -260,10 +260,17 @@
}
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
@@ -1129,6 +1136,135 @@
#--------------------------------------------------------------------------------------------------
+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 "O2 / 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 {
text "EXIT MESSAGE"

68
install/MarcMentat/apply_DAMASK_modifications.py Executable file
View File

@ -0,0 +1,68 @@
#!/usr/bin/env python3
import os
import glob
import argparse
import shutil
from pathlib import Path
import damask
def copy_and_patch(patch,orig,msc_root,editor):
try:
shutil.copyfile(orig,orig.parent/patch.stem)
except shutil.SameFileError:
pass
damask.execute(f'patch {orig.parent/patch.stem} {patch} -b')
with open(orig.parent/patch.stem) as f_in:
content = f_in.read()
with open(orig.parent/patch.stem,'w') as f_out:
f_out.write(content.replace('%INSTALLDIR%',msc_root).replace('%EDITOR%',editor))
parser = argparse.ArgumentParser(
description='Apply DAMASK modification to MSC.Marc/Mentat',
prog = Path(__file__).name,
formatter_class=argparse.ArgumentDefaultsHelpFormatter)
parser.add_argument('--editor', dest='editor', metavar='string', default='vi',
help='Name of the editor for MSC.Mentat (executable)')
parser.add_argument('--msc-root', dest='msc_root', metavar='string',
default=damask.solver._marc._msc_root,
help='MSC.Marc/Mentat root directory')
parser.add_argument('--msc-version', dest='msc_version', type=float, metavar='float',
default=damask.solver._marc._msc_version,
help='MSC.Marc/Mentat version')
parser.add_argument('--damask-root', dest='damask_root', metavar = 'string',
default=damask.solver._marc._damask_root,
help='DAMASK root directory')
args = parser.parse_args()
msc_root = Path(args.msc_root).expanduser()
damask_root = Path(args.damask_root).expanduser()
msc_version = int(args.msc_version) if str(args.msc_version).split('.')[1] == '0' else \
args.msc_version
matches = {'Marc_tools': [['comp_user','comp_damask_*mp'],
['run_marc','run_damask_*mp'],
['include_linux64','include_linux64']],
'Mentat_bin': [['edit_window','edit_window'],
['submit1','submit?'],
['kill1','kill?']],
'Mentat_menus':[['job_run.ms','job_run.ms']]}
print('patching files...\n')
for directory in glob.glob(str(damask_root/f'install/MarcMentat/{msc_version}/*')):
for orig, mods in matches[Path(directory).name]:
product,subfolder = (msc_root/Path(directory)).name.split('_')
orig = msc_root/f'{product.lower()}{msc_version}/{subfolder}/{orig}'
for patch in glob.glob(f'{directory}/{mods}.patch'):
copy_and_patch(Path(patch),orig,msc_root,args.editor)
print('compiling Mentat menu binaries...')
executable = msc_root/f'mentat{msc_version}/bin/mentat'
menu_file = msc_root/f'mentat{msc_version}/menus/linux64/main.msb'
os.system(f'xvfb-run -a {executable} -compile {menu_file}')

14
install/MarcMentat/installation.txt vendored Normal file
View File

@ -0,0 +1,14 @@
Install DAMASK modifications to use DAMASK_marc
This is for the Linux64 version of Marc/Mentat
Refer to http://damask.mpie.de for complete installation instructions.
Usually you will need to be root for this to work!
See Marc and Mentat Release Guide for List of Build and Supported Platforms.
The Intel Fortran compiler needs to be installed.
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.
2) Run the apply_DAMASK_modifications.py script from this directory.

53
installation/MarcMentat/2020/Marc_tools/comp_damask_hmp
View File

@ -1,53 +0,0 @@
#!/bin/ksh
# 1st arg: $DIR
# 2nd arg: $DIRJOB
# 3rd arg: $user
# 4th arg: $program
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 on host `hostname`"
echo "program: $program"
$DFORTHIGHMP $user || \
{
echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
userobj=$usernoext.o
$LOAD ${program} $DIR/lib/main.o\
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
${userobj-} \
$DIR/lib/srclib.a \
$MNFLIBS \
$MDUSER \
../lib/mdsrc.a \
../lib/mcvfit.a \
$STUBS \
${SOLVERLIBS} \
$TKLIBS \
$MRCLIBS \
$METISLIBS \
$BLAS \
$SYSLIBS || \
{
echo "$0: link failed for $usernoext.o on host `hostname`"
exit 1
}
/bin/rm $userobj
/bin/rm $DIRJOB/*.mod
/bin/rm $DIRJOB/*.smod

53
installation/MarcMentat/2020/Marc_tools/comp_damask_lmp
View File

@ -1,53 +0,0 @@
#!/bin/ksh
# 1st arg: $DIR
# 2nd arg: $DIRJOB
# 3rd arg: $user
# 4th arg: $program
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 on host `hostname`"
echo "program: $program"
$DFORTRANLOWMP $user || \
{
echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
userobj=$usernoext.o
$LOAD ${program} $DIR/lib/main.o\
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
${userobj-} \
$DIR/lib/srclib.a \
$MNFLIBS \
$MDUSER \
../lib/mdsrc.a \
../lib/mcvfit.a \
$STUBS \
${SOLVERLIBS} \
$TKLIBS \
$MRCLIBS \
$METISLIBS \
$BLAS \
$SYSLIBS || \
{
echo "$0: link failed for $usernoext.o on host `hostname`"
exit 1
}
/bin/rm $userobj
/bin/rm $DIRJOB/*.mod
/bin/rm $DIRJOB/*.smod

53
installation/MarcMentat/2020/Marc_tools/comp_damask_mp
View File

@ -1,53 +0,0 @@
#!/bin/ksh
# 1st arg: $DIR
# 2nd arg: $DIRJOB
# 3rd arg: $user
# 4th arg: $program
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 on host `hostname`"
echo "program: $program"
$DFORTRANMP $user || \
{
echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
userobj=$usernoext.o
$LOAD ${program} $DIR/lib/main.o\
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
${userobj-} \
$DIR/lib/srclib.a \
$MNFLIBS \
$MDUSER \
../lib/mdsrc.a \
../lib/mcvfit.a \
$STUBS \
${SOLVERLIBS} \
$TKLIBS \
$MRCLIBS \
$METISLIBS \
$BLAS \
$SYSLIBS || \
{
echo "$0: link failed for $usernoext.o on host `hostname`"
exit 1
}
/bin/rm $userobj
/bin/rm $DIRJOB/*.mod
/bin/rm $DIRJOB/*.smod

41
installation/MarcMentat/2020/Marc_tools/comp_user.original
View File

@ -1,41 +0,0 @@
#!/bin/ksh
# 1st arg: $DIR
# 2nd arg: $DIRJOB
# 3rd arg: $user
# 4th arg: $program
DIR=$1
user=$3
program=$4
. $DIR/tools/include
DIRJOB=$2
cd $DIRJOB
echo "Compiling and linking user subroutine $user.f on host `hostname`"
echo "program: $program"
$FORTRAN $user.f || \
{
echo "$0: compile failed for $user.f"
exit 1
}
/bin/rm $program 2>/dev/null
userobj=$user.o
$LOAD ${program} $DIR/lib/main.o\
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
${userobj-} \
$DIR/lib/srclib.a \
$MNFLIBS \
$MDUSER \
../lib/mdsrc.a \
../lib/mcvfit.a \
$STUBS \
${SOLVERLIBS} \
$TKLIBS \
$MRCLIBS \
$METISLIBS \
$SYSLIBS || \
{
echo "$0: link failed for $user.o on host `hostname`"
exit 1
}
/bin/rm $userobj

814
installation/MarcMentat/2020/Marc_tools/include_linux64
View File

@ -1,814 +0,0 @@
#
# General definitions for the Marc 2020 version
#
# EM64T
#
# Linux RedHat 7.3 / SuSE 12 SP1
#
# 64 bit MPI version
#
# Intel(R) Fortran Intel(R) 64 Compiler XE for applications
# running on Intel(R) 64, Version 19.0.4.243 Build 20190416
#
# Intel(R) C Intel(R) 64 Compiler XE for applications
# running on Intel(R) 64, Version 19.0.4.243 Build 20190416
#
# To check the O/S level, type:
# uname -a
#
# Distributed parallel MPI libraries:
# Intel MPI 2019 Update 4
# To check the mpi version, type:
# mpiexec.hydra -version
#
# To check the Compiler level, type using the compiler
# installation path:
# ifort -V
# icc -V
#
# REMARKS : This file contains the definitions of variables used during
# compilation loading and use of the MARC programmes . The
# current machine type is identified by means of the variable
# MACHINE , defined below.
#
#
# MPI_ROOT: root directory in which mpi shared libraries, etc. are located
# DIRJOB : directory in which spawned jobs should look for Marc input
# MPI_ARCH: system architecture
# MPI_EPATH: path where executable resides
#
REVISION="VERSION, BUILD"
HOSTNAME=`hostname`
# find available memory in Mbyte on the machine
# can be set explicitly
MEMLIMIT=`free -m | awk '/Mem:/ {print $2}'`
# set _OEM_NASTRAN to 1 for MD Nastran build
# override _OEM_NASTRAN setting with MARC_MD_NASTRAN environment variable
_OEM_NASTRAN="${MARC_MD_NASTRAN:-0}"
# uncomment the following line for an autoforge build
#AUTOFORGE=1
AUTOFORGE=0
export AUTOFORGE
# integer size
if test "$MARC_INTEGER_SIZE" = "" ; then
INTEGER_PATH=
else
INTEGER_PATH=/$MARC_INTEGER_SIZE
fi
FCOMP=ifort
INTELPATH="/opt/intel/compilers_and_libraries_2019/linux"
# find the root directory of the compiler installation:
# - if ifort is found in $PATH, then the root directory is derived
# from the path to ifort
# - if ifort is not found in $PATH, the root directory is assumed
# to be $INTELPATH and the directory in which ifort is found is
# added to $PATH
FCOMPPATH=`which "$FCOMP" 2>/dev/null`
if test -n "$FCOMPPATH"; then
# derive the root directory from $FCOMPPATH
FCOMPROOT="${FCOMPPATH%/bin/intel64/$FCOMP}"
if test "$FCOMPROOT" = "$FCOMPPATH"; then
FCOMPROOT="${FCOMPPATH%/bin/$FCOMP}"
fi
if test "$FCOMPROOT" = "$FCOMPPATH"; then
FCOMPROOT=
fi
elif test -d "$INTELPATH"; then
# check for compiler in $INTELPATH
if test -d "$INTELPATH/bin/intel64" -a \
-x "$INTELPATH/bin/intel64/$FCOMP" ; then
FCOMPROOT="$INTELPATH"
PATH="$INTELPATH/bin/intel64:$PATH"
elif test -d "$INTELPATH/bin" -a \
-x "$INTELPATH/bin/$FCOMP"; then
FCOMPROOT="$INTELPATH"
PATH="$INTELPATH/bin:$PATH"
else
FCOMPROOT=
fi
else
FCOMPROOT=
fi
# DAMASK uses the HDF5 compiler wrapper around the Intel compiler
H5FC="$(h5fc -shlib -show)"
HDF5_LIB=${H5FC//ifort/}
FCOMP="$H5FC -DDAMASK_HDF5"
# AEM
if test "$MARCDLLOUTDIR" = ""; then
DLLOUTDIR="$MARC_LIB"
else
DLLOUTDIR="$MARCDLLOUTDIR"
fi
# settings for MKL
if test "$IMKLDIR" = ""; then
MARC_MKL="$FCOMPROOT/mkl/lib/intel64"
else
MARC_MKL=$IMKLDIR/lib/intel64
fi
#
# settings for Metis
#
METIS="-I$METIS_SOURCE/include"
METISLIBS="$METISLIB_DIR/libmarcddm.a $METISLIB_DIR/libmarcmetis.a "
#
# settings for MPI
#
# RCP and RSH are used for parallel network runs
# replace with similar commands like rsh if needed
RCP=/usr/bin/scp
RSH=/usr/bin/ssh
#
MPI_DEFAULT=intelmpi
MPI_OTHER=
MPITYPE=$MPI_DEFAULT
if test $AUTOFORGE
then
if test $AUTOFORGE = 1
then
MPITYPE=none
fi
fi
# overrule MPITYPE setting with environmental variable MARC_MPITYPE
if test $MARC_MPITYPE
then
MPITYPE=$MARC_MPITYPE
fi
# always set MPITYPE to none for MD Nastran
if test "$_OEM_NASTRAN" -ne 0
then
MPITYPE=none
fi
# Edit following lines to build with GPGPU version of BCS Solver for
# NVIDIA platforms
#BCSGPUSOLVER=NONE
BCSGPUSOLVER=BCSGPU
# Edit following lines to build solver 2 with GPU support
SOLVER2GPU=GPU
#SOLVER2GPU=NONE
# Edit following lines to set the openssl library
if test "$OPENSSL" != "NONE"
then
OPENSSL_LIB="$MARC_LIB/libcrypto.a"
fi
OPENSSL_INCLUDE=-I"$MARC_OPENSSL/include/"
MARCHDF_HDF=HDF
#MARCHDF_HDF=NONE
# activate contact component build if flagged
AEM_DLL=0
if test "$AEM_BUILD" = "ON" ; then
AEM_DLL=1
LINK_MARC_DLL="-shared -fPIC"
EXT_DLL="so"
MPITYPE=none
MPI_OTHER=
MARCHDF_HDF=NONE
BCSGPUSOLVER=NONE
SOLVER2GPU=NONE
MUMPSSOLVER=NONE
CASISOLVER=NONE
fi
if test "$MARCHDF_HDF" = "HDF"; then
HDF_INCLUDE="-I$MARC_HDF/include"
HDF_LIBS="$MARC_LIB/libhdf5_fortran.so.100 $MARC_LIB/libhdf5.so.103"
fi
SOLVERFLAGS=
if test "$BCSGPUSOLVER" = BCSGPU
then
SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU -DCUDA"
BCS_DIR=bcsgpusolver
else
BCS_DIR=bcssolver
fi
#
# settings for MPI
#
DDM=
if test $MPITYPE != none
then
if test $MPITYPE = intelmpi
then
INTELMPI_VERSION=HYDRA
FCOMPMPI=mpiifort
if test -n "$MARC_INTELMPI" ; then
MPI_ROOT=$MARC_INTELMPI
else
MPI_ROOT=/opt/intel/compilers_and_libraries_2019/linux/mpi/intel64
MARC_INTELMPI=$MPI_ROOT
fi
DDM="-I${MPI_ROOT}/include -DDDM"
PATH=$MPI_ROOT/bin:$PATH
export PATH
LD_LIBRARY_PATH=$MPI_ROOT/lib:$MPI_ROOT/lib/release:$MPI_ROOT/libfabric/lib:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH
if test $INTELMPI_VERSION = HYDRA
then
RUN_JOB1="${MPI_ROOT}/bin/mpiexec.hydra -genvall -n "
RUN_JOB2="${MPI_ROOT}/bin/mpiexec.hydra -genvall"
else
RUN_JOB1="${MPI_ROOT}/bin/mpiexec -n "
RUN_JOB2="${MPI_ROOT}/bin/mpiexec -configfile "
fi
RUN_JOB0=
MPI_CLEAN=
MPI_EPATH=$MARC_BIN
MPIR_HOME=$MPI_ROOT
MPICH_F77=$FCOMP
MPICH_F77LINKER=$FCOMP
export MPI_ROOT MPI_EPATH MPIR_HOME MPICH_F77 MPICH_F77LINKER
FI_PROVIDER_PATH=$MPI_ROOT/libfabric/lib/prov
export FI_PROVIDER_PATH
fi
else
MPI_ROOT=$MARC_DUMMYMPI
export MPI_ROOT=$MARC_DUMMYMPI
DDM="-I$MPI_ROOT/include"
fi
#
# variables for the "maintain" script
#
MACHINENAME=LINUX
MACHINE64BIT=yes
MACHINE=Linux_EM64T
DEV=/dev/tape
GETLOG="whoami"
CLEAR="clear"
MY_UNAME=`uname -a`
# Edit following 2 lines to build with VKI Solver
#VKISOLVER=VKI
VKISOLVER=NONE
# Edit following 2 lines to build with CASI Solver
CASISOLVER=CASI
if test "$MARC_CASISOLVER" = "NONE" ; then
CASISOLVER=NONE
fi
#CASISOLVER=NONE
# Edit following 2 lines to build with MF2 Solver
MF2SOLVER=NONE
#MF2SOLVER=SERIAL
#MF2SOLVER=MF2PARALLEL
# Edit following lines to build with Intel(c) Multithreaded solver (PARDISO)
#INTELSOLVER=NONE
INTELSOLVER=PARDISO
# Edit following lines to build with MUMPS
if test "$MARC_INTEGER_SIZE" = "i4" ; then
#MUMPSSOLVER=NONE
MUMPSSOLVER=MUMPS
else
#MUMPSSOLVER=NONE
MUMPSSOLVER=MUMPS
fi
# Edit following 2 lines to build MARC dynamic shared library
MARC_DLL=MARC_DLL
MARC_DLL=NONE
# always set VKISOLVER, CASISOLVER, BCSGPUSOLVER, and MARC_DLL to NONE for MD Nastran
if test "$_OEM_NASTRAN" -ne 0
then
VKISOLVER=NONE
CASISOLVER=NONE
MF2SOLVER=NONE
INTELSOLVER=NONE
MUMPSSOLVER=NONE
BCSGPUSOLVER=NONE
SOLVER2GPU=NONE
MARC_DLL=NONE
fi
if test "$AEM_DLL" -eq 1
then
VKISOLVER=NONE
CASISOLVER=NONE
MF2SOLVER=NONE
INTELSOLVER=NONE
MUMPSSOLVER=NONE
BCSGPUSOLVER=NONE
SOLVER2GPU=NONE
fi
#
# define Fortran and C compile syntax
#
if test "$VKISOLVER" = VKI
then
SOLVERFLAGS="$SOLVERFLAGS -DVKI"
fi
if test "$CASISOLVER" = CASI
then
SOLVERFLAGS="$SOLVERFLAGS -DCASI"
fi
if test "$MF2SOLVER" = MF2PARALLEL
then
SOLVERFLAGS="$SOLVERFLAGS -DMF2PARALLEL"
fi
if test "$MF2SOLVER" = MF2SERIAL
then
SOLVERFLAGS="$SOLVERFLAGS -DMF2SERIAL"
fi
if test "$INTELSOLVER" = PARDISO
then
SOLVERFLAGS="$SOLVERFLAGS -DPARDISO"
fi
if test "$MUMPSSOLVER" = MUMPS
then
SOLVERFLAGS="$SOLVERFLAGS -DMUMPS"
fi
if test "$MARC_DLL" = MARC_DLL
then
SOLVERFLAGS="$SOLVERFLAGS -DMARC_DLL"
fi
if test "$SOLVER2GPU" = GPU
then
SOLVERFLAGS="$SOLVERFLAGS -DSOLVER2GPU"
fi
LINK_OPT=
DEBUG_OPT=
C_DEBUG_OPT=
#Uncomment following line to build Marc in debuggable mode
MARCDEBUG=
#MARCDEBUG="ON"
if test "$MARCDEBUG" = "ON"
then
LINK_OPT="-debug -traceback"
DEBUG_OPT="-debug -traceback"
C_DEBUG_OPT="-debug -traceback"
fi
MARCCHECK=
#MARCCHECK="ON"
if test "$MARCCHECK" = "ON"
then
DEBUG_OPT="$DEBUG_OPT -fpe0 -fp-stack-check -check all -ftrapuv "
C_DEBUG_OPT="$C_DEBUG_OPT -fp-stack-check -check-uninit -Wformat -ftrapuv "
fi
MARCCODECOV=
#MARCCODECOV="ON"
MARCCODEPROF=
#MARCCODEPROF="ON"
if test "$MARC_INTEGER_SIZE" = "i4" ; then
I8FFLAGS=
I8DEFINES=
I8CDEFINES=
else
I8FFLAGS="-i8 -integer-size 64"
I8DEFINES="-DI64 -DINT=8"
I8CDEFINES="-U_DOUBLE -D_SINGLE"
fi
MTHREAD=OPENMP
if test "$MARC_OPENMP" = "NONE" ; then
MTHREAD=NONE
fi
#MTHREAD=NONE
if test "$_OEM_NASTRAN" -ne 0
then
MTHREAD=NONE
fi
if test "$AEM_DLL" -eq 1
then
MTHREAD=NONE
CASISOLVER=NONE
VKISOLVER=NONE
MF2SOLVER=NONE
INTELSOLVER=NONE
BCSGPUSOLVER=NONE
SOLVER2GPU=NONE
OPENSSL_LIB=
MARC_DLL=NONE
METISLIBS=
fi
OMP_COMPAT=NO
OMP_COMPAT=YES
if test "$MTHREAD" = "NONE"
then
OMP_COMPAT=NO
fi
CDEFINES=
FDEFINES=
if test "$_OEM_NASTRAN" -ne 0
then
CDEFINES="$CDEFINES -D_OEM_NASTRAN"
FDEFINES="$FDEFINES -D_OEM_NASTRAN"
fi
FDEFINES="$FDEFINES -D_IMPLICITNONE"
if test "$_OEM_NASTRAN" -eq 0
then
FDEFINES="$FDEFINES -DMKL -DOPENMP"
fi
if test "$OMP_COMPAT" = "YES"
then
FDEFINES="$FDEFINES -DOMP_COMPAT"
fi
# -D_MSCMARC
FDEFINES="$FDEFINES -D_MSCMARC $DEBUG_OPT $MARC_SIMUFACT"
CDEFINES="$CDEFINES -D_MSCMARC $C_DEBUG_OPT $I8CDEFINES"
if test "$AEM_DLL" -eq 1
then
FDEFINES="$FDEFINES -D_AEMNL -DAAA"
CDEFINES="$CDEFINES -D_AEMNL -DAAA"
fi
CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource $METIS -I$LAPI_IMPORTS/common/include"
if test "$_OEM_NASTRAN" -ne 0
then
CINCL="$CINCL -I../../include"
fi
CC_OPT=
if test "$MTHREAD" = "OPENMP"
then
CC_OPT=" $CC_OPT -qopenmp"
fi
CC="icc -c $CC_OPT -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
CCLOW="icc -c $CC_OPT -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
CCHIGH="icc -c $CC_OPT -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
if test "$MARCDEBUG" = "ON"
then
CC="icc -c $CC_OPT -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
CCLOW="icc $CC_OPT -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
CCHIGH="icc $CC_OPT -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
fi
LOAD_CC="icc $CC_OPT -O1 -DLinux -DLINUX -DLinux_intel"
CCT="$CC"
CCTLOW="$CCLOW"
CCTHIGH="$CCHIGH"
#PROFILE="-Mprof=func"
#PROFILE="-Mprof=lines"
#PROFILE="-Mprof=func,mpi"
PROFILE=
#PROFILE="-init=snan,arrays -CB -traceback -fpe0 -fp-stack-check -check all -check uninit -ftrapuv"
if test "$MARCCODECOV" = "ON"
then
PROFILE="-prof-gen=srcpos"
fi
if test "$MARCCODEPROF" = "ON"
then
PROFILE=" $PROFILE -pg"
fi
FORT_OPT="-c -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr -mp1 -WB -fp-model source"
if test "$MTHREAD" = "OPENMP"
then
FORT_OPT=" $FORT_OPT -qopenmp"
if test "$OMP_COMPAT" = "YES"
then
FORT_OPT=" $FORT_OPT -qopenmp-threadprivate=compat"
fi
else
# FORT_OPT=" $FORT_OPT -auto "
FORT_OPT=" $FORT_OPT -save -zero"
fi
if test "$MARCHDF_HDF" = "HDF"; then
FORT_OPT="$FORT_OPT -DMARCHDF=$MARCHDF_HDF"
fi
FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
FORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
FORTNA="$FCOMP $FORT_OPT -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
# for compiling free form f90 files. high opt, integer(4)
FORTF90="$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: additional flags are in line 2 OpenMP flags in line 3
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=2020 -DDAMASKVERSION=$DAMASKVERSION \
-qopenmp -qopenmp-threadprivate=compat\
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_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=2020 -DDAMASKVERSION=$DAMASKVERSION \
-qopenmp -qopenmp-threadprivate=compat\
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_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=2020 -DDAMASKVERSION=$DAMASKVERSION \
-qopenmp -qopenmp-threadprivate=compat\
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
if test "$MARCDEBUG" = "ON"
then
FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
FORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
FORTNA="$FCOMP $FORT_OPT -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
fi
FORTLOWT="$FORTLOW"
FORTRANT="$FORTRAN"
FORTHIGHT="$FORTHIGH"
FORTRANMNF="$FCOMP -c $FDEFINES "
CCMNF="icc -c -O1 -DLinux -DLINUX -DLinux_intel -Dport2egcs -I$MARC_SOURCE/marctoadams/mnf/include -D_LARGEFILE64_SOURCE"
if test $MPITYPE != none
then
if test $MPITYPE = hpmpi
then
LOAD="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
LOADT="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
fi
# Uncomment the following lines to turn on the tracer and commnet out the next 5 lines
# if test $MPITYPE = intelmpi
# then
# INCLUDEMPI="-I$MPI_ROOT/include -I$VT_ROOT/include"
# LOAD="$MPI_ROOT/bin/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
# LOADT="$MPI_ROOT/bin/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
# fi
if test $MPITYPE = intelmpi
then
LOAD="ifort $PROFILE $LINK_OPT -o "
LOADT="ifort $PROFILE $LINK_OPT -o "
fi
else
LOAD="$FCOMP $LINK_OPT -o "
LOADT="$FCOMP $LINK_OPT -o "
fi
if test "$MARC_DLL" = MARC_DLL
then
FORTLOW="$FORTLOW -fpp -fPIC"
FORTRAN="$FORTRAN -fpp -fPIC"
FORTHIGH="$FORTHIGH -fpp -fPIC"
FORTRANMNF="$FORTRANMNF -fpp -fPIC"
CC="$CC -fPIC"
CCMNF="$CCMNF -fPIC"
LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread"
LINK_MARC_DLL="-shared -fPIC"
LOAD_DLL=$LOAD
LOADT_DLL=$LOADT
EXT_DLL="so"
fi
if test "$AEM_DLL" -eq 1
then
FORTLOW="$FORTLOW -fpp -fPIC"
FORTRAN="$FORTRAN -fpp -fPIC"
FORTHIGH="$FORTHIGH -fpp -fPIC"
FORTRANMNF="$FORTRANMNF -fpp -fPIC"
CC="$CC -fPIC"
CCMNF="$CCMNF -fPIC"
LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide"
LINK_MARC_DLL="-shared -fPIC"
LOAD_DLL=$LOAD
LOADT_DLL=$LOADT
EXT_DLL="so"
fi
XLIBS="-L/usr/X11/lib -lX11 "
#
# define archive and ranlib syntax
#
ARC="ar rvl"
ARD="ar dvl"
ARX="ar xl"
RAN=""
#
# choose which libraries you want to use ( e.g. blas )
#
if test "$VKISOLVER" = VKI
then
VKISOLVERLIBS="$MARC_LIB/vkisolver.a"
else
VKISOLVERLIBS=
fi
if test "$CASISOLVER" = CASI
then
CASISOLVERLIBS="$CASILIB_DIR/libmarccasi.a $CASILIB_DIR/libcasi.a"
else
CASISOLVERLIBS=
fi
MF2SOLVERLIBS=
if test "$MF2SOLVER" = MF2PARALLEL
then
MF2SOLVERLIBS="$MARC_LIB/mf2parallel/libseq.a \
$MARC_LIB/mf2parallel/libsym.a \
$MARC_LIB/mf2parallel/libmet.a \
$MARC_LIB/mf2parallel/libmf2.a \
$MARC_LIB/mf2parallel/libgauss.a \
$MARC_LIB/mf2parallel/libmf2.a \
$MARC_LIB/mf2parallel/libgauss.a \
$MARC_LIB/mf2parallel/libnum.a \
$MARC_LIB/mf2parallel/libutl.a \
$MARC_LIB/mf2parallel/libr8.a \
$MARC_LIB/mf2parallel/libz.a "
fi
if test "$MUMPSSOLVER" = MUMPS
then
MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps.a"
if test $MPITYPE = none
then
MUMPSSOLVERLIBS2=
echo hello > /dev/null
fi
if test $MPITYPE = intelmpi
then
MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps_intelmpi.a"
if test "$MARC_INTEGER_SIZE" = "i4" ; then
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a "
else
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a "
fi
fi
if test $MPITYPE = hpmpi
then
MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps_hpmpi.a"
if test "$MARC_INTEGER_SIZE" = "i4" ; then
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a"
else
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a"
fi
fi
else
MUMPSSOLVERLIBS=
MUMPSSOLVERLIBS2=
fi
if test "$BCSGPUSOLVER" = BCSGPU
then
BCSSOLVERLIBS="${MARC_LIB}/bcsgpulib.a "
MARCCUDALIBS1="-L${MARC_LIB}/cuda_dummy -lmarccuda "
MARCCUDALIBS2="-L${MARC_LIB}/cuda -lmarccuda "
MARCCUDALIBS=$MARCCUDALIBS1
else
BCSSOLVERLIBS="${MARC_LIB}/bcslib.a "
fi
SOLVER2LIBS=
if test "$SOLVER2GPU" = GPU
then
SOLVER2LIBS="-L$MARC_LIB/cuda_dummy -lsolver2gpu"
fi
if test "$AEM_DLL" -eq 1
then
BCSSOLVERLIBS=
fi
if test "$MARC_INTEGER_SIZE" = "i4" ; then
MKLLIB="$MARC_MKL/libmkl_scalapack_lp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_lp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MARC_MKL/libmkl_blacs_intelmpi_lp64.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
else
MKLLIB="$MARC_MKL/libmkl_scalapack_ilp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_ilp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
fi
SECLIBS="-L$MARC_LIB -llapi"
SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \
$MKLLIB -L$MARC_MKL -liomp5 \
$MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/libkdtree2.a $HDF5_LIB $SOLVER2LIBS"
SOLVERLIBS_DLL=${SOLVERLIBS}
if test "$AEM_DLL" -eq 1
then
SOLVERLIBS_DLL="$MKLLIB -L$MARC_MKL -liomp5 $MARC_LIB/blas_src.a"
fi
MRCLIBS="$MARC_LIB/clib.a ${CASISOLVERLIBS}"
MRCLIBSPAR="$MARC_LIB/clib.a"
STUBS="$MARC_LIB/stubs.a "
MNFLIBS="$MARC_LIB/libmnf.a"
MDUSER="$MARC_LIB/md_user.a"
if test "X$MARC_SIMUFACT" != "X"
then
SFLIB="-L$SFMATDIR -lMBA_Grain"
else
SFLIB=" "
fi
OPENMP="-qopenmp"
if test "$AEM_DLL" -eq 1
then
LOAD_DLL=$LOAD
OPENMP=
LIBMNF=
OPENSSL=NONE
fi
SYSLIBS=" $OPENMP -lpthread -cxxlib"
# Uncomment the following lines to turn on the trace and comment out the next 4 lines
# if test $MPITYPE = intelmpi
# then
# SYSLIBS="-L${VT_ROOT}/lib -lVT -ldwarf -lelf -lm -lpthread \
# -L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt"
# fi
if test $MPITYPE = intelmpi
then
SYSLIBS="-L${MPI_ROOT}/lib/release -lmpi -L${MPI_ROOT}/lib -lmpifort -lrt $OPENMP -threads -lpthread -cxxlib"
fi
SYSLIBSPAR=" "
MARC_DLL_CODES="runmarc.f"
BLAS_SRC="dzero.f icopy.f izero.f"
if test "$_OEM_NASTRAN" -ne 0
then
if test "$MARC_INTEGER_SIZE" = "i4" ; then
BLAS_SRC="$BLAS_SRC dsctr.f zsctr.f dzasum.f daxpyi.f zaxpyi.f dgthr.f zgthr.f"
else
BLAS_SRC="ALL"
fi
fi
LOW_OPT_CODES="are163.f contro.f ndext.f omarc.f omarca.f omarcb.f omarcc.f \
omars.f fixbc.f triang.f bet049.f norst3.f eldata.f \
elec*.f elct*.f fmeig.f oada00.f ogeig.f updtrbe2.f cycrota.f \
cordef.f ogpk.f ogtan.f eldam.f formrbe3.f \
inertie.f em_sso072.f cn_fol3d_qpatch6.f cosim_begin.f"
if test "$MARC_INTEGER_SIZE" = "i8" ; then
LOW_OPT_CODES="$LOW_OPT_CODES bbcseg.f"
fi
HIGH_OPT_CODES="dpsmsa1.f dpsmsa2.f dpsmsa3.f dpsmsa4.f dpsmsa5.f dpsmsa6.f \
dpsmsa7.f dpsmsa8.f dpsmsa9.f dpsmsa10.f dpsmsa11.f dpsmsa12.f \
dpsmsa13.f dpsmsa14.f dpsmsa15.f dpsmsa16.f dpsmsah.f tpsmsah.f cn_qsort4_11.f \
prei11.f prei12.f prei31.f prei32.f prei41.f prei42.f prei61.f prei62.f \
prei1n.f prei2n.f cgfullnts1.f cgfullnts2.f cg1n.f cg2n.f cg3n.f \
cg4n.f cg5n.f cg6n.f cgnn.f sortab.f sortab1.f triann1.f preinv_nts.f \
cn_sur_patchl.f cn_quad_3e.f"
MAXNUM=1000000

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installation/MarcMentat/2020/Marc_tools/include_linux64.original
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@ -1,785 +0,0 @@
#
# General definitions for the Marc 2020 version
#
# EM64T
#
# Linux RedHat 7.3 / SuSE 12 SP1
#
# 64 bit MPI version
#
# Intel(R) Fortran Intel(R) 64 Compiler XE for applications
# running on Intel(R) 64, Version 19.0.4.243 Build 20190416
#
# Intel(R) C Intel(R) 64 Compiler XE for applications
# running on Intel(R) 64, Version 19.0.4.243 Build 20190416
#
# To check the O/S level, type:
# uname -a
#
# Distributed parallel MPI libraries:
# Intel MPI 2019 Update 4
# To check the mpi version, type:
# mpiexec.hydra -version
#
# To check the Compiler level, type using the compiler
# installation path:
# ifort -V
# icc -V
#
# REMARKS : This file contains the definitions of variables used during
# compilation loading and use of the MARC programmes . The
# current machine type is identified by means of the variable
# MACHINE , defined below.
#
#
# MPI_ROOT: root directory in which mpi shared libraries, etc. are located
# DIRJOB : directory in which spawned jobs should look for Marc input
# MPI_ARCH: system architecture
# MPI_EPATH: path where executable resides
#
REVISION="VERSION, BUILD"
HOSTNAME=`hostname`
# find available memory in Mbyte on the machine
# can be set explicitly
MEMLIMIT=`free -m | awk '/Mem:/ {print $2}'`
# set _OEM_NASTRAN to 1 for MD Nastran build
# override _OEM_NASTRAN setting with MARC_MD_NASTRAN environment variable
_OEM_NASTRAN="${MARC_MD_NASTRAN:-0}"
# uncomment the following line for an autoforge build
#AUTOFORGE=1
AUTOFORGE=0
export AUTOFORGE
# integer size
if test "$MARC_INTEGER_SIZE" = "" ; then
INTEGER_PATH=
else
INTEGER_PATH=/$MARC_INTEGER_SIZE
fi
FCOMP=ifort
INTELPATH="/opt/intel/compilers_and_libraries_2019/linux"
# find the root directory of the compiler installation:
# - if ifort is found in $PATH, then the root directory is derived
# from the path to ifort
# - if ifort is not found in $PATH, the root directory is assumed
# to be $INTELPATH and the directory in which ifort is found is
# added to $PATH
FCOMPPATH=`which "$FCOMP" 2>/dev/null`
if test -n "$FCOMPPATH"; then
# derive the root directory from $FCOMPPATH
FCOMPROOT="${FCOMPPATH%/bin/intel64/$FCOMP}"
if test "$FCOMPROOT" = "$FCOMPPATH"; then
FCOMPROOT="${FCOMPPATH%/bin/$FCOMP}"
fi
if test "$FCOMPROOT" = "$FCOMPPATH"; then
FCOMPROOT=
fi
elif test -d "$INTELPATH"; then
# check for compiler in $INTELPATH
if test -d "$INTELPATH/bin/intel64" -a \
-x "$INTELPATH/bin/intel64/$FCOMP" ; then
FCOMPROOT="$INTELPATH"
PATH="$INTELPATH/bin/intel64:$PATH"
elif test -d "$INTELPATH/bin" -a \
-x "$INTELPATH/bin/$FCOMP"; then
FCOMPROOT="$INTELPATH"
PATH="$INTELPATH/bin:$PATH"
else
FCOMPROOT=
fi
else
FCOMPROOT=
fi
# AEM
if test "$MARCDLLOUTDIR" = ""; then
DLLOUTDIR="$MARC_LIB"
else
DLLOUTDIR="$MARCDLLOUTDIR"
fi
# settings for MKL
if test "$IMKLDIR" = ""; then
MARC_MKL="$FCOMPROOT/mkl/lib/intel64"
else
MARC_MKL=$IMKLDIR/lib/intel64
fi
#
# settings for Metis
#
METIS="-I$METIS_SOURCE/include"
METISLIBS="$METISLIB_DIR/libmarcddm.a $METISLIB_DIR/libmarcmetis.a "
#
# settings for MPI
#
# RCP and RSH are used for parallel network runs
# replace with similar commands like rsh if needed
RCP=/usr/bin/scp
RSH=/usr/bin/ssh
#
MPI_DEFAULT=intelmpi
MPI_OTHER=
MPITYPE=$MPI_DEFAULT
if test $AUTOFORGE
then
if test $AUTOFORGE = 1
then
MPITYPE=none
fi
fi
# overrule MPITYPE setting with environmental variable MARC_MPITYPE
if test $MARC_MPITYPE
then
MPITYPE=$MARC_MPITYPE
fi
# always set MPITYPE to none for MD Nastran
if test "$_OEM_NASTRAN" -ne 0
then
MPITYPE=none
fi
# Edit following lines to build with GPGPU version of BCS Solver for
# NVIDIA platforms
#BCSGPUSOLVER=NONE
BCSGPUSOLVER=BCSGPU
# Edit following lines to build solver 2 with GPU support
SOLVER2GPU=GPU
#SOLVER2GPU=NONE
# Edit following lines to set the openssl library
if test "$OPENSSL" != "NONE"
then
OPENSSL_LIB="$MARC_LIB/libcrypto.a"
fi
OPENSSL_INCLUDE=-I"$MARC_OPENSSL/include/"
MARCHDF_HDF=HDF
#MARCHDF_HDF=NONE
# activate contact component build if flagged
AEM_DLL=0
if test "$AEM_BUILD" = "ON" ; then
AEM_DLL=1
LINK_MARC_DLL="-shared -fPIC"
EXT_DLL="so"
MPITYPE=none
MPI_OTHER=
MARCHDF_HDF=NONE
BCSGPUSOLVER=NONE
SOLVER2GPU=NONE
MUMPSSOLVER=NONE
CASISOLVER=NONE
fi
if test "$MARCHDF_HDF" = "HDF"; then
HDF_INCLUDE="-I$MARC_HDF/include"
HDF_LIBS="$MARC_LIB/libhdf5_fortran.so.100 $MARC_LIB/libhdf5.so.103"
fi
SOLVERFLAGS=
if test "$BCSGPUSOLVER" = BCSGPU
then
SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU -DCUDA"
BCS_DIR=bcsgpusolver
else
BCS_DIR=bcssolver
fi
#
# settings for MPI
#
DDM=
if test $MPITYPE != none
then
if test $MPITYPE = intelmpi
then
INTELMPI_VERSION=HYDRA
FCOMPMPI=mpiifort
if test -n "$MARC_INTELMPI" ; then
MPI_ROOT=$MARC_INTELMPI
else
MPI_ROOT=/opt/intel/compilers_and_libraries_2019/linux/mpi/intel64
MARC_INTELMPI=$MPI_ROOT
fi
DDM="-I${MPI_ROOT}/include -DDDM"
PATH=$MPI_ROOT/bin:$PATH
export PATH
LD_LIBRARY_PATH=$MPI_ROOT/lib:$MPI_ROOT/lib/release:$MPI_ROOT/libfabric/lib:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH
if test $INTELMPI_VERSION = HYDRA
then
RUN_JOB1="${MPI_ROOT}/bin/mpiexec.hydra -genvall -n "
RUN_JOB2="${MPI_ROOT}/bin/mpiexec.hydra -genvall"
else
RUN_JOB1="${MPI_ROOT}/bin/mpiexec -n "
RUN_JOB2="${MPI_ROOT}/bin/mpiexec -configfile "
fi
RUN_JOB0=
MPI_CLEAN=
MPI_EPATH=$MARC_BIN
MPIR_HOME=$MPI_ROOT
MPICH_F77=$FCOMP
MPICH_F77LINKER=$FCOMP
export MPI_ROOT MPI_EPATH MPIR_HOME MPICH_F77 MPICH_F77LINKER
FI_PROVIDER_PATH=$MPI_ROOT/libfabric/lib/prov
export FI_PROVIDER_PATH
fi
else
MPI_ROOT=$MARC_DUMMYMPI
export MPI_ROOT=$MARC_DUMMYMPI
DDM="-I$MPI_ROOT/include"
fi
#
# variables for the "maintain" script
#
MACHINENAME=LINUX
MACHINE64BIT=yes
MACHINE=Linux_EM64T
DEV=/dev/tape
GETLOG="whoami"
CLEAR="clear"
MY_UNAME=`uname -a`
# Edit following 2 lines to build with VKI Solver
#VKISOLVER=VKI
VKISOLVER=NONE
# Edit following 2 lines to build with CASI Solver
CASISOLVER=CASI
if test "$MARC_CASISOLVER" = "NONE" ; then
CASISOLVER=NONE
fi
#CASISOLVER=NONE
# Edit following 2 lines to build with MF2 Solver
MF2SOLVER=NONE
#MF2SOLVER=SERIAL
#MF2SOLVER=MF2PARALLEL
# Edit following lines to build with Intel(c) Multithreaded solver (PARDISO)
#INTELSOLVER=NONE
INTELSOLVER=PARDISO
# Edit following lines to build with MUMPS
if test "$MARC_INTEGER_SIZE" = "i4" ; then
#MUMPSSOLVER=NONE
MUMPSSOLVER=MUMPS
else
#MUMPSSOLVER=NONE
MUMPSSOLVER=MUMPS
fi
# Edit following 2 lines to build MARC dynamic shared library
MARC_DLL=MARC_DLL
MARC_DLL=NONE
# always set VKISOLVER, CASISOLVER, BCSGPUSOLVER, and MARC_DLL to NONE for MD Nastran
if test "$_OEM_NASTRAN" -ne 0
then
VKISOLVER=NONE
CASISOLVER=NONE
MF2SOLVER=NONE
INTELSOLVER=NONE
MUMPSSOLVER=NONE
BCSGPUSOLVER=NONE
SOLVER2GPU=NONE
MARC_DLL=NONE
fi
if test "$AEM_DLL" -eq 1
then
VKISOLVER=NONE
CASISOLVER=NONE
MF2SOLVER=NONE
INTELSOLVER=NONE
MUMPSSOLVER=NONE
BCSGPUSOLVER=NONE
SOLVER2GPU=NONE
fi
#
# define Fortran and C compile syntax
#
if test "$VKISOLVER" = VKI
then
SOLVERFLAGS="$SOLVERFLAGS -DVKI"
fi
if test "$CASISOLVER" = CASI
then
SOLVERFLAGS="$SOLVERFLAGS -DCASI"
fi
if test "$MF2SOLVER" = MF2PARALLEL
then
SOLVERFLAGS="$SOLVERFLAGS -DMF2PARALLEL"
fi
if test "$MF2SOLVER" = MF2SERIAL
then
SOLVERFLAGS="$SOLVERFLAGS -DMF2SERIAL"
fi
if test "$INTELSOLVER" = PARDISO
then
SOLVERFLAGS="$SOLVERFLAGS -DPARDISO"
fi
if test "$MUMPSSOLVER" = MUMPS
then
SOLVERFLAGS="$SOLVERFLAGS -DMUMPS"
fi
if test "$MARC_DLL" = MARC_DLL
then
SOLVERFLAGS="$SOLVERFLAGS -DMARC_DLL"
fi
if test "$SOLVER2GPU" = GPU
then
SOLVERFLAGS="$SOLVERFLAGS -DSOLVER2GPU"
fi
LINK_OPT=
DEBUG_OPT=
C_DEBUG_OPT=
#Uncomment following line to build Marc in debuggable mode
MARCDEBUG=
#MARCDEBUG="ON"
if test "$MARCDEBUG" = "ON"
then
LINK_OPT="-debug -traceback"
DEBUG_OPT="-debug -traceback"
C_DEBUG_OPT="-debug -traceback"
fi
MARCCHECK=
#MARCCHECK="ON"
if test "$MARCCHECK" = "ON"
then
DEBUG_OPT="$DEBUG_OPT -fpe0 -fp-stack-check -check all -ftrapuv "
C_DEBUG_OPT="$C_DEBUG_OPT -fp-stack-check -check-uninit -Wformat -ftrapuv "
fi
MARCCODECOV=
#MARCCODECOV="ON"
MARCCODEPROF=
#MARCCODEPROF="ON"
if test "$MARC_INTEGER_SIZE" = "i4" ; then
I8FFLAGS=
I8DEFINES=
I8CDEFINES=
else
I8FFLAGS="-i8"
I8DEFINES="-DI64"
I8CDEFINES="-U_DOUBLE -D_SINGLE"
fi
MTHREAD=OPENMP
if test "$MARC_OPENMP" = "NONE" ; then
MTHREAD=NONE
fi
#MTHREAD=NONE
if test "$_OEM_NASTRAN" -ne 0
then
MTHREAD=NONE
fi
if test "$AEM_DLL" -eq 1
then
MTHREAD=NONE
CASISOLVER=NONE
VKISOLVER=NONE
MF2SOLVER=NONE
INTELSOLVER=NONE
BCSGPUSOLVER=NONE
SOLVER2GPU=NONE
OPENSSL_LIB=
MARC_DLL=NONE
METISLIBS=
fi
OMP_COMPAT=NO
OMP_COMPAT=YES
if test "$MTHREAD" = "NONE"
then
OMP_COMPAT=NO
fi
CDEFINES=
FDEFINES=
if test "$_OEM_NASTRAN" -ne 0
then
CDEFINES="$CDEFINES -D_OEM_NASTRAN"
FDEFINES="$FDEFINES -D_OEM_NASTRAN"
fi
FDEFINES="$FDEFINES -D_IMPLICITNONE"
if test "$_OEM_NASTRAN" -eq 0
then
FDEFINES="$FDEFINES -DMKL -DOPENMP"
fi
if test "$OMP_COMPAT" = "YES"
then
FDEFINES="$FDEFINES -DOMP_COMPAT"
fi
# -D_MSCMARC
FDEFINES="$FDEFINES -D_MSCMARC $DEBUG_OPT $MARC_SIMUFACT"
CDEFINES="$CDEFINES -D_MSCMARC $C_DEBUG_OPT $I8CDEFINES"
if test "$AEM_DLL" -eq 1
then
FDEFINES="$FDEFINES -D_AEMNL -DAAA"
CDEFINES="$CDEFINES -D_AEMNL -DAAA"
fi
CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource $METIS -I$LAPI_IMPORTS/common/include"
if test "$_OEM_NASTRAN" -ne 0
then
CINCL="$CINCL -I../../include"
fi
CC_OPT=
if test "$MTHREAD" = "OPENMP"
then
CC_OPT=" $CC_OPT -qopenmp"
fi
CC="icc -c $CC_OPT -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
CCLOW="icc -c $CC_OPT -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
CCHIGH="icc -c $CC_OPT -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
if test "$MARCDEBUG" = "ON"
then
CC="icc -c $CC_OPT -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
CCLOW="icc $CC_OPT -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
CCHIGH="icc $CC_OPT -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
fi
LOAD_CC="icc $CC_OPT -O1 -DLinux -DLINUX -DLinux_intel"
CCT="$CC"
CCTLOW="$CCLOW"
CCTHIGH="$CCHIGH"
#PROFILE="-Mprof=func"
#PROFILE="-Mprof=lines"
#PROFILE="-Mprof=func,mpi"
PROFILE=
#PROFILE="-init=snan,arrays -CB -traceback -fpe0 -fp-stack-check -check all -check uninit -ftrapuv"
if test "$MARCCODECOV" = "ON"
then
PROFILE="-prof-gen=srcpos"
fi
if test "$MARCCODEPROF" = "ON"
then
PROFILE=" $PROFILE -pg"
fi
FORT_OPT="-c -assume byterecl -safe_cray_ptr -mp1 -WB -fp-model source"
if test "$MTHREAD" = "OPENMP"
then
FORT_OPT=" $FORT_OPT -qopenmp"
if test "$OMP_COMPAT" = "YES"
then
FORT_OPT=" $FORT_OPT -qopenmp-threadprivate=compat"
fi
else
# FORT_OPT=" $FORT_OPT -auto "
FORT_OPT=" $FORT_OPT -save -zero"
fi
if test "$MARCHDF_HDF" = "HDF"; then
FORT_OPT="$FORT_OPT -DMARCHDF_HDF=$MARCHDF_HDF $HDF_INCLUDE"
fi
FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
FORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
FORTNA="$FCOMP $FORT_OPT -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
# for compiling free form f90 files. high opt, integer(4)
FORTF90="$FCOMP -c -O3"
if test "$MARCDEBUG" = "ON"
then
FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
FORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
FORTNA="$FCOMP $FORT_OPT -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
fi
FORTLOWT="$FORTLOW"
FORTRANT="$FORTRAN"
FORTHIGHT="$FORTHIGH"
FORTRANMNF="$FCOMP -c $FDEFINES "
CCMNF="icc -c -O1 -DLinux -DLINUX -DLinux_intel -Dport2egcs -I$MARC_SOURCE/marctoadams/mnf/include -D_LARGEFILE64_SOURCE"
if test $MPITYPE != none
then
if test $MPITYPE = hpmpi
then
LOAD="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
LOADT="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
fi
# Uncomment the following lines to turn on the tracer and commnet out the next 5 lines
# if test $MPITYPE = intelmpi
# then
# INCLUDEMPI="-I$MPI_ROOT/include -I$VT_ROOT/include"
# LOAD="$MPI_ROOT/bin/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
# LOADT="$MPI_ROOT/bin/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
# fi
if test $MPITYPE = intelmpi
then
LOAD="ifort $PROFILE $LINK_OPT -o "
LOADT="ifort $PROFILE $LINK_OPT -o "
fi
else
LOAD="$FCOMP $LINK_OPT -o "
LOADT="$FCOMP $LINK_OPT -o "
fi
if test "$MARC_DLL" = MARC_DLL
then
FORTLOW="$FORTLOW -fpp -fPIC"
FORTRAN="$FORTRAN -fpp -fPIC"
FORTHIGH="$FORTHIGH -fpp -fPIC"
FORTRANMNF="$FORTRANMNF -fpp -fPIC"
CC="$CC -fPIC"
CCMNF="$CCMNF -fPIC"
LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread"
LINK_MARC_DLL="-shared -fPIC"
LOAD_DLL=$LOAD
LOADT_DLL=$LOADT
EXT_DLL="so"
fi
if test "$AEM_DLL" -eq 1
then
FORTLOW="$FORTLOW -fpp -fPIC"
FORTRAN="$FORTRAN -fpp -fPIC"
FORTHIGH="$FORTHIGH -fpp -fPIC"
FORTRANMNF="$FORTRANMNF -fpp -fPIC"
CC="$CC -fPIC"
CCMNF="$CCMNF -fPIC"
LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide"
LINK_MARC_DLL="-shared -fPIC"
LOAD_DLL=$LOAD
LOADT_DLL=$LOADT
EXT_DLL="so"
fi
XLIBS="-L/usr/X11/lib -lX11 "
#
# define archive and ranlib syntax
#
ARC="ar rvl"
ARD="ar dvl"
ARX="ar xl"
RAN=""
#
# choose which libraries you want to use ( e.g. blas )
#
if test "$VKISOLVER" = VKI
then
VKISOLVERLIBS="$MARC_LIB/vkisolver.a"
else
VKISOLVERLIBS=
fi
if test "$CASISOLVER" = CASI
then
CASISOLVERLIBS="$CASILIB_DIR/libmarccasi.a $CASILIB_DIR/libcasi.a"
else
CASISOLVERLIBS=
fi
MF2SOLVERLIBS=
if test "$MF2SOLVER" = MF2PARALLEL
then
MF2SOLVERLIBS="$MARC_LIB/mf2parallel/libseq.a \
$MARC_LIB/mf2parallel/libsym.a \
$MARC_LIB/mf2parallel/libmet.a \
$MARC_LIB/mf2parallel/libmf2.a \
$MARC_LIB/mf2parallel/libgauss.a \
$MARC_LIB/mf2parallel/libmf2.a \
$MARC_LIB/mf2parallel/libgauss.a \
$MARC_LIB/mf2parallel/libnum.a \
$MARC_LIB/mf2parallel/libutl.a \
$MARC_LIB/mf2parallel/libr8.a \
$MARC_LIB/mf2parallel/libz.a "
fi
if test "$MUMPSSOLVER" = MUMPS
then
MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps.a"
if test $MPITYPE = none
then
MUMPSSOLVERLIBS2=
echo hello > /dev/null
fi
if test $MPITYPE = intelmpi
then
MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps_intelmpi.a"
if test "$MARC_INTEGER_SIZE" = "i4" ; then
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a "
else
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a "
fi
fi
if test $MPITYPE = hpmpi
then
MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps_hpmpi.a"
if test "$MARC_INTEGER_SIZE" = "i4" ; then
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a"
else
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a"
fi
fi
else
MUMPSSOLVERLIBS=
MUMPSSOLVERLIBS2=
fi
if test "$BCSGPUSOLVER" = BCSGPU
then
BCSSOLVERLIBS="${MARC_LIB}/bcsgpulib.a "
MARCCUDALIBS1="-L${MARC_LIB}/cuda_dummy -lmarccuda "
MARCCUDALIBS2="-L${MARC_LIB}/cuda -lmarccuda "
MARCCUDALIBS=$MARCCUDALIBS1
else
BCSSOLVERLIBS="${MARC_LIB}/bcslib.a "
fi
SOLVER2LIBS=
if test "$SOLVER2GPU" = GPU
then
SOLVER2LIBS="-L$MARC_LIB/cuda_dummy -lsolver2gpu"
fi
if test "$AEM_DLL" -eq 1
then
BCSSOLVERLIBS=
fi
if test "$MARC_INTEGER_SIZE" = "i4" ; then
MKLLIB="$MARC_MKL/libmkl_scalapack_lp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_lp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
else
MKLLIB="$MARC_MKL/libmkl_scalapack_ilp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_ilp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
fi
SECLIBS="-L$MARC_LIB -llapi"
SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \
$MKLLIB -L$MARC_MKL -liomp5 \
$MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/libkdtree2.a $HDF_LIBS $SOLVER2LIBS"
SOLVERLIBS_DLL=${SOLVERLIBS}
if test "$AEM_DLL" -eq 1
then
SOLVERLIBS_DLL="$MKLLIB -L$MARC_MKL -liomp5 $MARC_LIB/blas_src.a"
fi
MRCLIBS="$MARC_LIB/clib.a ${CASISOLVERLIBS}"
MRCLIBSPAR="$MARC_LIB/clib.a"
STUBS="$MARC_LIB/stubs.a "
MNFLIBS="$MARC_LIB/libmnf.a"
MDUSER="$MARC_LIB/md_user.a"
if test "X$MARC_SIMUFACT" != "X"
then
SFLIB="-L$SFMATDIR -lMBA_Grain"
else
SFLIB=" "
fi
OPENMP="-qopenmp"
if test "$AEM_DLL" -eq 1
then
LOAD_DLL=$LOAD
OPENMP=
LIBMNF=
OPENSSL=NONE
fi
SYSLIBS=" $OPENMP -lpthread -shared-intel -cxxlib"
# Uncomment the following lines to turn on the trace and comment out the next 4 lines
# if test $MPITYPE = intelmpi
# then
# SYSLIBS="-L${VT_ROOT}/lib -lVT -ldwarf -lelf -lm -lpthread \
# -L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt"
# fi
if test $MPITYPE = intelmpi
then
SYSLIBS="-L${MPI_ROOT}/lib/release -lmpi -L${MPI_ROOT}/lib -lmpifort -lrt $OPENMP -threads -lpthread -shared-intel -cxxlib"
fi
SYSLIBSPAR=" "
MARC_DLL_CODES="runmarc.f"
BLAS_SRC="dzero.f icopy.f izero.f"
if test "$_OEM_NASTRAN" -ne 0
then
if test "$MARC_INTEGER_SIZE" = "i4" ; then
BLAS_SRC="$BLAS_SRC dsctr.f zsctr.f dzasum.f daxpyi.f zaxpyi.f dgthr.f zgthr.f"
else
BLAS_SRC="ALL"
fi
fi
LOW_OPT_CODES="are163.f contro.f ndext.f omarc.f omarca.f omarcb.f omarcc.f \
omars.f fixbc.f triang.f bet049.f norst3.f eldata.f \
elec*.f elct*.f fmeig.f oada00.f ogeig.f updtrbe2.f cycrota.f \
cordef.f ogpk.f ogtan.f eldam.f formrbe3.f \
inertie.f em_sso072.f cn_fol3d_qpatch6.f cosim_begin.f"
if test "$MARC_INTEGER_SIZE" = "i8" ; then
LOW_OPT_CODES="$LOW_OPT_CODES bbcseg.f"
fi
HIGH_OPT_CODES="dpsmsa1.f dpsmsa2.f dpsmsa3.f dpsmsa4.f dpsmsa5.f dpsmsa6.f \
dpsmsa7.f dpsmsa8.f dpsmsa9.f dpsmsa10.f dpsmsa11.f dpsmsa12.f \
dpsmsa13.f dpsmsa14.f dpsmsa15.f dpsmsa16.f dpsmsah.f tpsmsah.f cn_qsort4_11.f \
prei11.f prei12.f prei31.f prei32.f prei41.f prei42.f prei61.f prei62.f \
prei1n.f prei2n.f cgfullnts1.f cgfullnts2.f cg1n.f cg2n.f cg3n.f \
cg4n.f cg5n.f cg6n.f cgnn.f sortab.f sortab1.f triann1.f preinv_nts.f \
cn_sur_patchl.f cn_quad_3e.f"
MAXNUM=1000000

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installation/MarcMentat/2020/Mentat_bin/edit_window
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#!/bin/sh
# This script opens a window running an editor.
# The command to invoke the editor is specified during DAMASK installation
%EDITOR% $*

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#!/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.
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 $*

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installation/MarcMentat/2020/Mentat_bin/kill1.original
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#!/bin/sh
if [ "$1" = "" ]; then
echo "usage: $0 job_name"
exit 1
fi
echo STOP > $1.cnt

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installation/MarcMentat/2020/Mentat_bin/kill4
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#!/bin/sh
if [ "$1" = "" ]; then
echo "usage: $0 job_name"
exit 1
fi
echo STOP > $1.cnt

8
installation/MarcMentat/2020/Mentat_bin/kill5
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#!/bin/sh
if [ "$1" = "" ]; then
echo "usage: $0 job_name"
exit 1
fi
echo STOP > $1.cnt

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installation/MarcMentat/2020/Mentat_bin/kill6
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#!/bin/sh
if [ "$1" = "" ]; then
echo "usage: $0 job_name"
exit 1
fi
echo STOP > $1.cnt

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installation/MarcMentat/2020/Mentat_bin/submit1.original
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@ -1,189 +0,0 @@
#!/bin/sh
#
# The exit status of this script is read by Mentat.
# Normal exit status is 0.
#
DIR=/tmp/msc/marc2020
if test $MARCDIR1
then
DIR=$MARCDIR1
fi
if test -z "$DIR"; then
REALCOM="`ls -l $0 |awk '{ print $NF; }'`"
DIRSCRIPT=`dirname $REALCOM`
case $DIRSCRIPT in
\/*)
;;
*)
DIRSCRIPT=`pwd`/$DIRSCRIPT
;;
esac
. $DIRSCRIPT/getarch
DIR="$MENTAT_MARCDIR"
fi
SRCEXT=.f
SRCEXTC=.F
RSTEXT=.t08
PSTEXT=.t19
PSTEXTB=.t16
VWFCEXT=.vfs
slv=$1
version=$2
ndom_fea_solver=$3
ndom_preprocessor=$4
hostfile=$5
compat=$6
job=$7
srcfile=$8
srcmeth=$9
shift 9 # cannot use $10, $11, ...
restart=$1
postfile=$2
viewfactorsfile=$3
copy_datfile="-ci $4"
copy_postfile="-cr $5"
scr_dir=$6
dcoup=$7
assem_recov_nthread=$8
nthread=$9
shift 9 # cannot use $10, $11, ...
nsolver=$1
mode=$2
gpu=$3
if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then
slv="-iam sfm"
fi
if [ "$slv" == "marc" ]; then
slv=""
fi
if [ "$slv" == "datfit" ]; then
slv="-iam datfit"
fi
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
nprocds="-nprocds $ndom_fea_solver"
else
nprocd=""
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
nprocd="-nprocd $ndom_preprocessor"
else
nprocd=""
fi
fi
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"`
case "$srcmeth" in
-)
srcfile="-u $srcfile"
;;
compsave)
srcfile="-u $srcfile -save y"
;;
runsaved)
srcfile="-prog $srcfile"
;;
esac
else
srcfile=""
fi
if [ "$restart" != "" -a "$restart" != "-" ]; then
restart=`echo $restart | sed "s/$RSTEXT$//"`
restart="-r $restart"
else
restart=""
fi
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
postfile="-pid $postfile"
else
postfile=""
fi
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
viewfactorsfile="-vf $viewfactorsfile"
else
viewfactorsfile=""
fi
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
hostfile="-ho $hostfile"
else
hostfile=""
fi
if [ "$compat" != "" -a "$compat" != "-" ]; then
compat="-co $compat"
else
compat=""
fi
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
scr_dir="-sd $scr_dir"
else
scr_dir=""
fi
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
dcoup="-dcoup $dcoup"
else
dcoup=""
fi
if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then
assem_recov_nthread="-nthread_elem $assem_recov_nthread"
else
assem_recov_nthread=""
fi
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
nthread="-nthread $nthread"
else
nthread=""
fi
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
nsolver="-nsolver $nsolver"
else
nsolver=""
fi
case "$mode" in
4) mode="-mo i4" ;;
8) mode="-mo i8" ;;
*) mode= ;;
esac
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
gpu="-gpu $gpu"
else
gpu=""
fi
rm -f $job.cnt
rm -f $job.sts
rm -f $job.out
rm -f $job.log
# To prevent a mismatch with the python version used by the solver
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
# unset environment variables PYTHONHOME and PYTHONPATH
unset PYTHONHOME
unset PYTHONPATH
"${DIR}/tools/run_marc" $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
sleep 1
exit 0

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installation/MarcMentat/2020/Mentat_bin/submit4
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@ -1,191 +0,0 @@
#!/bin/sh
#
# The exit status of this script is read by Mentat.
# Normal exit status is 0.
#
DIR=%INSTALLDIR%/marc2020
if test $MARCDIR1
then
DIR=$MARCDIR1
fi
if test -z "$DIR"; then
REALCOM="`ls -l $0 |awk '{ print $NF; }'`"
DIRSCRIPT=`dirname $REALCOM`
case $DIRSCRIPT in
\/*)
;;
*)
DIRSCRIPT=`pwd`/$DIRSCRIPT
;;
esac
. $DIRSCRIPT/getarch
DIR="$MENTAT_MARCDIR"
fi
SRCEXT=.f
SRCEXTC=.F
RSTEXT=.t08
PSTEXT=.t19
PSTEXTB=.t16
VWFCEXT=.vfs
slv=$1
version=$2
ndom_fea_solver=$3
ndom_preprocessor=$4
hostfile=$5
compat=$6
job=$7
srcfile=$8
srcmeth=$9
shift 9 # cannot use $10, $11, ...
restart=$1
postfile=$2
viewfactorsfile=$3
copy_datfile="-ci $4"
copy_postfile="-cr $5"
scr_dir=$6
dcoup=$7
assem_recov_nthread=$8
nthread=$9
shift 9 # cannot use $10, $11, ...
nsolver=$1
mode=$2
gpu=$3
if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then
slv="-iam sfm"
fi
if [ "$slv" = "marc" ]; then
slv=""
fi
if [ "$slv" = "datfit" ]; then
slv="-iam datfit"
fi
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
nprocds="-nprocds $ndom_fea_solver"
else
nprocd=""
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
nprocd="-nprocd $ndom_preprocessor"
else
nprocd=""
fi
fi
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"`
case "$srcmeth" in
-)
srcfile="-u $srcfile"
;;
compsave)
srcfile="-u $srcfile -save y"
;;
runsaved)
srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
else
srcfile=""
fi
if [ "$restart" != "" -a "$restart" != "-" ]; then
restart=`echo $restart | sed "s/$RSTEXT$//"`
restart="-r $restart"
else
restart=""
fi
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
postfile="-pid $postfile"
else
postfile=""
fi
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
viewfactorsfile="-vf $viewfactorsfile"
else
viewfactorsfile=""
fi
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
hostfile="-ho $hostfile"
else
hostfile=""
fi
if [ "$compat" != "" -a "$compat" != "-" ]; then
compat="-co $compat"
else
compat=""
fi
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
scr_dir="-sd $scr_dir"
else
scr_dir=""
fi
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
dcoup="-dcoup $dcoup"
else
dcoup=""
fi
if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then
assem_recov_nthread="-nthread_elem $assem_recov_nthread"
else
assem_recov_nthread=""
fi
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
nthread="-nthread $nthread"
else
nthread=""
fi
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
nsolver="-nsolver $nsolver"
else
nsolver=""
fi
case "$mode" in
4) mode="-mo i4" ;;
8) mode="-mo i8" ;;
*) mode= ;;
esac
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
gpu="-gpu $gpu"
else
gpu=""
fi
rm -f $job.cnt
rm -f $job.sts
rm -f $job.out
rm -f $job.log
# To prevent a mismatch with the python version used by the solver
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
# unset environment variables PYTHONHOME and PYTHONPATH
unset PYTHONHOME
unset PYTHONPATH
"${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
sleep 1
exit 0

191
installation/MarcMentat/2020/Mentat_bin/submit5
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@ -1,191 +0,0 @@
#!/bin/sh
#
# The exit status of this script is read by Mentat.
# Normal exit status is 0.
#
DIR=%INSTALLDIR%/marc2020
if test $MARCDIR1
then
DIR=$MARCDIR1
fi
if test -z "$DIR"; then
REALCOM="`ls -l $0 |awk '{ print $NF; }'`"
DIRSCRIPT=`dirname $REALCOM`
case $DIRSCRIPT in
\/*)
;;
*)
DIRSCRIPT=`pwd`/$DIRSCRIPT
;;
esac
. $DIRSCRIPT/getarch
DIR="$MENTAT_MARCDIR"
fi
SRCEXT=.f
SRCEXTC=.F
RSTEXT=.t08
PSTEXT=.t19
PSTEXTB=.t16
VWFCEXT=.vfs
slv=$1
version=$2
ndom_fea_solver=$3
ndom_preprocessor=$4
hostfile=$5
compat=$6
job=$7
srcfile=$8
srcmeth=$9
shift 9 # cannot use $10, $11, ...
restart=$1
postfile=$2
viewfactorsfile=$3
copy_datfile="-ci $4"
copy_postfile="-cr $5"
scr_dir=$6
dcoup=$7
assem_recov_nthread=$8
nthread=$9
shift 9 # cannot use $10, $11, ...
nsolver=$1
mode=$2
gpu=$3
if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then
slv="-iam sfm"
fi
if [ "$slv" = "marc" ]; then
slv=""
fi
if [ "$slv" = "datfit" ]; then
slv="-iam datfit"
fi
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
nprocds="-nprocds $ndom_fea_solver"
else
nprocd=""
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
nprocd="-nprocd $ndom_preprocessor"
else
nprocd=""
fi
fi
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"`
case "$srcmeth" in
-)
srcfile="-u $srcfile"
;;
compsave)
srcfile="-u $srcfile -save y"
;;
runsaved)
srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
else
srcfile=""
fi
if [ "$restart" != "" -a "$restart" != "-" ]; then
restart=`echo $restart | sed "s/$RSTEXT$//"`
restart="-r $restart"
else
restart=""
fi
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
postfile="-pid $postfile"
else
postfile=""
fi
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
viewfactorsfile="-vf $viewfactorsfile"
else
viewfactorsfile=""
fi
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
hostfile="-ho $hostfile"
else
hostfile=""
fi
if [ "$compat" != "" -a "$compat" != "-" ]; then
compat="-co $compat"
else
compat=""
fi
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
scr_dir="-sd $scr_dir"
else
scr_dir=""
fi
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
dcoup="-dcoup $dcoup"
else
dcoup=""
fi
if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then
assem_recov_nthread="-nthread_elem $assem_recov_nthread"
else
assem_recov_nthread=""
fi
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
nthread="-nthread $nthread"
else
nthread=""
fi
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
nsolver="-nsolver $nsolver"
else
nsolver=""
fi
case "$mode" in
4) mode="-mo i4" ;;
8) mode="-mo i8" ;;
*) mode= ;;
esac
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
gpu="-gpu $gpu"
else
gpu=""
fi
rm -f $job.cnt
rm -f $job.sts
rm -f $job.out
rm -f $job.log
# To prevent a mismatch with the python version used by the solver
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
# unset environment variables PYTHONHOME and PYTHONPATH
unset PYTHONHOME
unset PYTHONPATH
"${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
sleep 1
exit 0

191
installation/MarcMentat/2020/Mentat_bin/submit6
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@ -1,191 +0,0 @@
#!/bin/sh
#
# The exit status of this script is read by Mentat.
# Normal exit status is 0.
#
DIR=%INSTALLDIR%/marc2020
if test $MARCDIR1
then
DIR=$MARCDIR1
fi
if test -z "$DIR"; then
REALCOM="`ls -l $0 |awk '{ print $NF; }'`"
DIRSCRIPT=`dirname $REALCOM`
case $DIRSCRIPT in
\/*)
;;
*)
DIRSCRIPT=`pwd`/$DIRSCRIPT
;;
esac
. $DIRSCRIPT/getarch
DIR="$MENTAT_MARCDIR"
fi
SRCEXT=.f
SRCEXTC=.F
RSTEXT=.t08
PSTEXT=.t19
PSTEXTB=.t16
VWFCEXT=.vfs
slv=$1
version=$2
ndom_fea_solver=$3
ndom_preprocessor=$4
hostfile=$5
compat=$6
job=$7
srcfile=$8
srcmeth=$9
shift 9 # cannot use $10, $11, ...
restart=$1
postfile=$2
viewfactorsfile=$3
copy_datfile="-ci $4"
copy_postfile="-cr $5"
scr_dir=$6
dcoup=$7
assem_recov_nthread=$8
nthread=$9
shift 9 # cannot use $10, $11, ...
nsolver=$1
mode=$2
gpu=$3
if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then
slv="-iam sfm"
fi
if [ "$slv" = "marc" ]; then
slv=""
fi
if [ "$slv" = "datfit" ]; then
slv="-iam datfit"
fi
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
nprocds="-nprocds $ndom_fea_solver"
else
nprocd=""
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
nprocd="-nprocd $ndom_preprocessor"
else
nprocd=""
fi
fi
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"`
case "$srcmeth" in
-)
srcfile="-u $srcfile"
;;
compsave)
srcfile="-u $srcfile -save y"
;;
runsaved)
srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
else
srcfile=""
fi
if [ "$restart" != "" -a "$restart" != "-" ]; then
restart=`echo $restart | sed "s/$RSTEXT$//"`
restart="-r $restart"
else
restart=""
fi
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
postfile="-pid $postfile"
else
postfile=""
fi
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
viewfactorsfile="-vf $viewfactorsfile"
else
viewfactorsfile=""
fi
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
hostfile="-ho $hostfile"
else
hostfile=""
fi
if [ "$compat" != "" -a "$compat" != "-" ]; then
compat="-co $compat"
else
compat=""
fi
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
scr_dir="-sd $scr_dir"
else
scr_dir=""
fi
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
dcoup="-dcoup $dcoup"
else
dcoup=""
fi
if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then
assem_recov_nthread="-nthread_elem $assem_recov_nthread"
else
assem_recov_nthread=""
fi
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
nthread="-nthread $nthread"
else
nthread=""
fi
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
nsolver="-nsolver $nsolver"
else
nsolver=""
fi
case "$mode" in
4) mode="-mo i4" ;;
8) mode="-mo i8" ;;
*) mode= ;;
esac
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
gpu="-gpu $gpu"
else
gpu=""
fi
rm -f $job.cnt
rm -f $job.sts
rm -f $job.out
rm -f $job.log
# To prevent a mismatch with the python version used by the solver
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
# unset environment variables PYTHONHOME and PYTHONPATH
unset PYTHONHOME
unset PYTHONPATH
"${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
sleep 1
exit 0

2973
installation/MarcMentat/2020/Mentat_menus/job_run.ms
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File diff suppressed because it is too large Load Diff

2838
installation/MarcMentat/2020/Mentat_menus/job_run.ms.original
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File diff suppressed because it is too large Load Diff

72
installation/MarcMentat/apply_DAMASK_modifications.py
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@ -1,72 +0,0 @@
#!/usr/bin/env python3
import os
import glob
import argparse
from pathlib import Path
import damask
def copy_and_replace(in_file,dst,msc_root,editor):
with open(in_file) as f_in, open(dst/Path(in_file).name,'w') as f_out:
f_out.write(f_in.read().replace('%INSTALLDIR%',msc_root).replace('%EDITOR%',editor))
parser = argparse.ArgumentParser(
description='Apply DAMASK modification to MSC.Marc/Mentat',
prog = Path(__file__).name,
formatter_class=argparse.ArgumentDefaultsHelpFormatter)
parser.add_argument('--editor', dest='editor', metavar='string', default='vi',
help='Name of the editor for MSC.Mentat (executable)')
parser.add_argument('--msc-root', dest='msc_root', metavar='string',
default=damask.solver._marc._msc_root,
help='MSC.Marc/Mentat root directory')
parser.add_argument('--msc-version', dest='msc_version', type=float, metavar='float',
default=damask.solver._marc._msc_version,
help='MSC.Marc/Mentat version')
parser.add_argument('--damask-root', dest='damask_root', metavar = 'string',
default=damask.solver._marc._damask_root,
help='DAMASK root directory')
args = parser.parse_args()
msc_root = Path(args.msc_root)
damask_root = Path(args.damask_root)
msc_version = args.msc_version
print('adapting Marc tools...\n')
src = damask_root/f'installation/mods_MarcMentat/{msc_version}/Marc_tools'
dst = msc_root/f'marc{msc_version}/tools'
for in_file in glob.glob(str(src/'*damask*')) + [str(src/'include_linux64')]:
copy_and_replace(in_file,dst,args.msc_root,args.editor)
print('adapting Mentat scripts and menus...\n')
src = damask_root/f'installation/mods_MarcMentat/{msc_version}/Mentat_bin'
dst = msc_root/f'mentat{msc_version}/bin'
for in_file in glob.glob(str(src/'*[!.original]')):
copy_and_replace(in_file,dst,args.msc_root,args.editor)
src = damask_root/f'installation/mods_MarcMentat/{msc_version}/Mentat_menus'
dst = msc_root/f'mentat{msc_version}/menus'
for in_file in glob.glob(str(src/'job_run.ms')):
copy_and_replace(in_file,dst,args.msc_root,args.editor)
print('compiling Mentat menu binaries...')
executable = msc_root/f'mentat{msc_version}/bin/mentat'
menu_file = msc_root/f'mentat{msc_version}/menus/linux64/main.msb'
os.system(f'xvfb-run {executable} -compile {menu_file}')
print('setting file access rights...\n')
for pattern in [msc_root/f'marc{msc_version}/tools/*damask*',
msc_root/f'mentat{msc_version}/bin/submit?',
msc_root/f'mentat{msc_version}/bin/kill?']:
for f in glob.glob(str(pattern)):
os.chmod(f,0o755)

42
installation/MarcMentat/installation.txt
View File

@ -1,42 +0,0 @@
Install DAMASK modifications to use DAMASK_marc
This is for the Linux64 version of Marc/Mentat
Refer to http://damask.mpie.de for complete installation instructions.
Usually you will need to be root for this to work!
See Marc and Mentat Release Guide for List of Build and Supported Platforms!
The Intel Fortran compiler needs to be installed.
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!
2) Run the apply_DAMASK_modifications.py script from this directory.
APPENDIX:
The structure of this directory should be (VERSION = 20XX or 20XX.Y)
./VERSION/Marc_tools/comp_user.original original file from installation
./VERSION/Marc_tools/comp_damask_mp modified version using -O1 optimization and OpenMP
./VERSION/Marc_tools/comp_damask_lmp modified version using -O0 optimization and OpenMP
./VERSION/Marc_tools/comp_damask_hmp modified version using -O2 optimization and OpenMP
./VERSION/Marc_tools/run_marc.original original file from installation
./VERSION/Marc_tools/run_damask_mp modified version using -O1 optimization and OpenMP
./VERSION/Marc_tools/run_damask_lmp modified version using -O0 optimization and OpenMP
./VERSION/Marc_tools/run_damask_hmp modified version using -O2 optimization and OpenMP
./VERSION/Marc_tools/include_linux64.original original file from installation
./VERSION/Marc_tools/include_linux64 modified version defining DAMASK compiler calls
./VERSION/Mentat_bin/edit_window.original original file from installation
./VERSION/Mentat_bin/edit_window modified version calling editor of your chcoice
./VERSION/Mentat_bin/submit1.original original file from installation
./VERSION/Mentat_bin/submit4 modified version of original calling run_h_marc
./VERSION/Mentat_bin/submit5 modified version of original calling run_marc
./VERSION/Mentat_bin/submit6 modified version of original calling run_l_marc
./VERSION/Mentat_bin/kill1.original original file from installation
./VERSION/Mentat_bin/kill4 kill file for submit4, identical to original kill1
./VERSION/Mentat_bin/kill5 kill file for submit5, identical to original kill1
./VERSION/Mentat_bin/kill6 kill file for submit6, identical to original kill1
./VERSION/Mentat_menus/job_run.ms.original original file from installation
./VERSION/Mentat_menus/job_run.ms modified version adding DAMASK menu to run menu

268
processing/legacy/seeds_fromDistribution.py vendored
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@ -1,268 +0,0 @@
#!/usr/bin/env python3
import threading
import time
import os
import sys
import random
from optparse import OptionParser
from io import StringIO
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
mismatch = None
currentSeedsName = None
#---------------------------------------------------------------------------------------------------
class myThread (threading.Thread):
"""Perturb seed in seed file, performes Voronoi tessellation, evaluates, and updates best match."""
def __init__(self, threadID):
"""Threading class with thread ID."""
threading.Thread.__init__(self)
self.threadID = threadID
def run(self):
global bestSeedsUpdate
global bestSeedsVFile
global nMaterials
global delta
global points
global target
global match
global baseFile
global maxSeeds
s.acquire()
bestMatch = match
s.release()
random.seed(options.randomSeed+self.threadID) # initializes to given seeds
knownSeedsUpdate = bestSeedsUpdate -1.0 # trigger update of local best seeds
randReset = True # aquire new direction
myBestSeedsVFile = StringIO() # store local copy of best seeds file
perturbedSeedsVFile = StringIO() # perturbed best seeds file
#--- still not matching desired bin class ----------------------------------------------------------
while bestMatch < options.threshold:
s.acquire() # ensure only one thread acces global data
if bestSeedsUpdate > knownSeedsUpdate: # write best fit to virtual file
knownSeedsUpdate = bestSeedsUpdate
bestSeedsVFile.seek(0)
myBestSeedsVFile.close()
myBestSeedsVFile = StringIO()
i=0
myBestSeedsVFile.writelines(bestSeedsVFile.readlines())
s.release()
if randReset: # new direction because current one led to worse fit
randReset = False
NmoveGrains = random.randrange(1,maxSeeds)
selectedMs = []
direction = []
for i in range(NmoveGrains):
selectedMs.append(random.randrange(1,nMaterials))
direction.append((np.random.random()-0.5)*delta)
perturbedSeedsVFile.close() # reset virtual file
perturbedSeedsVFile = StringIO()
myBestSeedsVFile.seek(0)
perturbedSeedsTable = damask.Table.load(myBestSeedsVFile)
coords = perturbedSeedsTable.get('pos')
i = 0
for ms,coord in enumerate(coords):
if ms in selectedMs:
newCoords=coord+direction[i]
newCoords=np.where(newCoords>=1.0,newCoords-1.0,newCoords) # ensure that the seeds remain in the box
newCoords=np.where(newCoords <0.0,newCoords+1.0,newCoords)
coords[i]=newCoords
direction[i]*=2.
i+= 1
perturbedSeedsTable.set('pos',coords).save(perturbedSeedsVFile,legacy=True)
#--- do tesselation with perturbed seed file ------------------------------------------------------
perturbedGeom = damask.Grid.from_Voronoi_tessellation(options.grid,np.ones(3),coords)
#--- evaluate current seeds file ------------------------------------------------------------------
myNmaterials = len(np.unique(perturbedGeom.material))
currentData = np.bincount(perturbedGeom.material.ravel())[1:]/points
currentError=[]
currentHist=[]
for i in range(nMaterials): # calculate the deviation in all bins per histogram
currentHist.append(np.histogram(currentData,bins=target[i]['bins'])[0])
currentError.append(np.sqrt(np.square(np.array(target[i]['histogram']-currentHist[i])).sum()))
# as long as not all grains are within the range of the target, use the deviation to left and right as error
if currentError[0]>0.0:
currentError[0] *=((target[0]['bins'][0]-np.min(currentData))**2.0+
(target[0]['bins'][1]-np.max(currentData))**2.0)**0.5 # norm of deviations by number of usual bin deviation
s.acquire() # do the evaluation serially
bestMatch = match
#--- count bin classes with no mismatch ----------------------------------------------------------------------
myMatch=0
for i in range(nMaterials):
if currentError[i] > 0.0: break
myMatch = i+1
if myNmaterials == nMaterials:
for i in range(min(nMaterials,myMatch+options.bins)):
if currentError[i] > target[i]['error']: # worse fitting, next try
randReset = True
break
elif currentError[i] < target[i]['error']: # better fit
bestSeedsUpdate = time.time() # save time of better fit
damask.util.croak('Thread {:d}: Better match ({:d} bins, {:6.4f} --> {:6.4f})'\
.format(self.threadID,i+1,target[i]['error'],currentError[i]))
damask.util.croak(' target: '+np.array_str(target[i]['histogram']))
damask.util.croak(' best: '+np.array_str(currentHist[i]))
currentSeedsName = baseFile+'_'+str(bestSeedsUpdate).replace('.','-') # name of new seed file (use time as unique identifier)
perturbedSeedsVFile.seek(0)
bestSeedsVFile.close()
bestSeedsVFile = StringIO()
sys.stdout.flush()
with open(currentSeedsName+'.seeds','w') as currentSeedsFile: # write to new file
for line in perturbedSeedsVFile:
currentSeedsFile.write(line)
bestSeedsVFile.write(line)
for j in range(nMaterials): # save new errors for all bins
target[j]['error'] = currentError[j]
if myMatch > match: # one or more new bins have no deviation
damask.util.croak( 'Stage {:d} cleared'.format(myMatch))
match=myMatch
sys.stdout.flush()
break
if i == min(nMaterials,myMatch+options.bins)-1: # same quality as before: take it to keep on moving
bestSeedsUpdate = time.time()
perturbedSeedsVFile.seek(0)
bestSeedsVFile.close()
bestSeedsVFile = StringIO()
bestSeedsVFile.writelines(perturbedSeedsVFile.readlines())
for j in range(nMaterials):
target[j]['error'] = currentError[j]
randReset = True
else: #--- not all grains are tessellated
damask.util.croak('Thread {:d}: Material mismatch ({:d} material indices mapped)'\
.format(self.threadID,myNmaterials))
randReset = True
s.release()
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------
parser = OptionParser(usage='%prog options [file[s]]', description = """
Monte Carlo simulation to produce seed file that gives same size distribution like given geometry file.
""", version = scriptID)
parser.add_option('-s','--seeds', dest='seedFile', metavar='string',
help='name of the intial seed file. If not found, a new one is created [%default]')
parser.add_option('-g','--grid', dest='grid', type='int', nargs=3, metavar='int int int',
help='a,b,c grid of hexahedral box [%default]')
parser.add_option('-t','--threads', dest='threads', type='int', metavar='int',
help='number of parallel executions [%default]')
parser.add_option('-r', '--rnd', dest='randomSeed', type='int', metavar='int',
help='seed of random number generator [%default]')
parser.add_option('--target', dest='target', metavar='string',
help='name of the geom file with target distribution [%default]')
parser.add_option('--tolerance', dest='threshold', type='int', metavar='int',
help='stopping criterion (bin number) [%default]')
parser.add_option('--scale', dest='scale',type='float', metavar='float',
help='maximum moving distance of perturbed seed in pixel [%default]')
parser.add_option('--bins', dest='bins', type='int', metavar='int',
help='bins to sort beyond current best fit [%default]')
parser.add_option('--maxseeds', dest='maxseeds', type='int', metavar='int',
help='maximum number of seeds to move simulateneously [number of seeds]')
parser.set_defaults(seedFile = 'seeds',
grid = (64,64,64),
threads = 2,
randomSeed = None,
target = 'geom',
threshold = 20,
bins = 15,
scale = 1.0,
maxseeds = 0)
options = parser.parse_args()[0]
damask.util.report(scriptName,options.seedFile)
if options.randomSeed is None:
options.randomSeed = int(os.urandom(4).hex(),16)
damask.util.croak(options.randomSeed)
delta = options.scale/np.array(options.grid)
baseFile = os.path.splitext(os.path.basename(options.seedFile))[0]
points = np.array(options.grid).prod().astype('float')
# ----------- calculate target distribution and bin edges
targetGeom = damask.Grid.load_ASCII(os.path.splitext(os.path.basename(options.target))[0]+'.geom')
nMaterials = len(np.unique(targetGeom.material))
targetVolFrac = np.bincount(targetGeom.material.flatten())/targetGeom.cells.prod().astype(np.float)
target = []
for i in range(1,nMaterials+1):
targetHist,targetBins = np.histogram(targetVolFrac,bins=i) #bin boundaries
target.append({'histogram':targetHist,'bins':targetBins})
# ----------- create initial seed file or open existing one
bestSeedsVFile = StringIO()
if os.path.isfile(os.path.splitext(options.seedFile)[0]+'.seeds'):
initial_seeds = damask.Table.load(os.path.splitext(options.seedFile)[0]+'.seeds').get('pos')
else:
initial_seeds = damask.seeds.from_random(np.ones(3),nMaterials,options.grid,options.randomSeed)
bestSeedsUpdate = time.time()
# ----------- tessellate initial seed file to get and evaluate geom file
bestSeedsVFile.seek(0)
initialGeom = damask.Grid.from_Voronoi_tessellation(options.grid,np.ones(3),initial_seeds)
if len(np.unique(targetGeom.material)) != nMaterials:
damask.util.croak('error. Material count mismatch')
initialData = np.bincount(initialGeom.material.flatten())/points
for i in range(nMaterials):
initialHist = np.histogram(initialData,bins=target[i]['bins'])[0]
target[i]['error']=np.sqrt(np.square(np.array(target[i]['histogram']-initialHist)).sum())
# as long as not all grain sizes are within the range, the error is the deviation to left and right
if target[0]['error'] > 0.0:
target[0]['error'] *=((target[0]['bins'][0]-np.min(initialData))**2.0+
(target[0]['bins'][1]-np.max(initialData))**2.0)**0.5
match=0
for i in range(nMaterials):
if target[i]['error'] > 0.0: break
match = i+1
if options.maxseeds < 1:
maxSeeds = len(np.unique(initialGeom.material))
else:
maxSeeds = options.maxseeds
if match >0: damask.util.croak('Stage {:d} cleared'.format(match))
sys.stdout.flush()
# start mulithreaded monte carlo simulation
threads = []
s = threading.Semaphore(1)
for i in range(options.threads):
threads.append(myThread(i))
threads[i].start()
for i in range(options.threads):
threads[i].join()

2
python/damask/VERSION
View File

@ -1 +1 @@
v3.0.0-alpha4-65-gae3d844e4 v3.0.0-alpha4-94-g63fee141b

26
python/damask/_grid.py
View File

@ -525,7 +525,7 @@ class Grid:
periods : integer, optional. periods : integer, optional.
Number of periods per unit cell. Defaults to 1. Number of periods per unit cell. Defaults to 1.
materials : (int, int), optional materials : (int, int), optional
Material IDs. Defaults to (1,2). Material IDs. Defaults to (0,1).
Returns Returns
------- -------
@ -559,6 +559,30 @@ class Grid:
M.-T. Hsieh and L. Valdevit, Software Impacts 6:100026, 2020 M.-T. Hsieh and L. Valdevit, Software Impacts 6:100026, 2020
https://doi.org/10.1016/j.simpa.2020.100026 https://doi.org/10.1016/j.simpa.2020.100026
Examples
--------
Minimal surface of 'Gyroid' type.
>>> import numpy as np
>>> import damask
>>> damask.Grid.from_minimal_surface(np.array([64]*3,int),np.ones(3),
... 'Gyroid')
cells a b c: 64 x 64 x 64
size x y z: 1.0 x 1.0 x 1.0
origin x y z: 0.0 0.0 0.0
# materials: 2
Minimal surface of 'Neovius' type. non-default material IDs.
>>> import numpy as np
>>> import damask
>>> damask.Grid.from_minimal_surface(np.array([80]*3,int),np.ones(3),
... 'Neovius',materials=(1,5))
cells a b c: 80 x 80 x 80
size x y z: 1.0 x 1.0 x 1.0
origin x y z: 0.0 0.0 0.0
# materials: 2 (min: 1, max: 5)
""" """
x,y,z = np.meshgrid(periods*2.0*np.pi*(np.arange(cells[0])+0.5)/cells[0], x,y,z = np.meshgrid(periods*2.0*np.pi*(np.arange(cells[0])+0.5)/cells[0],
periods*2.0*np.pi*(np.arange(cells[1])+0.5)/cells[1], periods*2.0*np.pi*(np.arange(cells[1])+0.5)/cells[1],

16
python/damask/_result.py
View File

@ -704,6 +704,14 @@ class Result:
T : str T : str
Name of tensor dataset. Name of tensor dataset.
Examples
--------
Add the deviatoric part of Cauchy stress 'sigma':
>>> import damask
>>> r = damask.Result('my_file.hdf5')
>>> r.add_deviator('sigma')
""" """
self._add_generic_pointwise(self._add_deviator,{'T':T}) self._add_generic_pointwise(self._add_deviator,{'T':T})
@ -737,6 +745,14 @@ class Result:
eigenvalue : {'max', 'mid', 'min'} eigenvalue : {'max', 'mid', 'min'}
Eigenvalue. Defaults to 'max'. Eigenvalue. Defaults to 'max'.
Examples
--------
Add the minimum eigenvalue of Cauchy stress 'sigma':
>>> import damask
>>> r = damask.Result('my_file.hdf5')
>>> r.add_eigenvalue('sigma','min')
""" """
self._add_generic_pointwise(self._add_eigenvalue,{'T_sym':T_sym},{'eigenvalue':eigenvalue}) self._add_generic_pointwise(self._add_eigenvalue,{'T_sym':T_sym},{'eigenvalue':eigenvalue})

56
python/damask/_rotation.py
View File

@ -502,6 +502,15 @@ class Rotation:
Bunge-Euler angles: (φ_1, ϕ, φ_2), φ_1 ∈ [0,2π], ϕ ∈ [0,π], φ_2 ∈ [0,2π] Bunge-Euler angles: (φ_1, ϕ, φ_2), φ_1 ∈ [0,2π], ϕ ∈ [0,π], φ_2 ∈ [0,2π]
unless degrees == True: φ_1 ∈ [0,360], ϕ ∈ [0,180], φ_2 ∈ [0,360] unless degrees == True: φ_1 ∈ [0,360], ϕ ∈ [0,180], φ_2 ∈ [0,360]
Examples
--------
Cube orientation as Bunge-Euler angles.
>>> import damask
>>> import numpy as np
>>> damask.Rotation(np.array([1,0,0,0])).as_Euler_angles()
array([0., 0., 0.])
""" """
eu = Rotation._qu2eu(self.quaternion) eu = Rotation._qu2eu(self.quaternion)
if degrees: eu = np.degrees(eu) if degrees: eu = np.degrees(eu)
@ -527,6 +536,15 @@ class Rotation:
Axis angle pair: (n_1, n_2, n_3, ω), ǀnǀ = 1 and ω ∈ [0,π] Axis angle pair: (n_1, n_2, n_3, ω), ǀnǀ = 1 and ω ∈ [0,π]
unless degrees = True: ω ∈ [0,180]. unless degrees = True: ω ∈ [0,180].
Examples
--------
Cube orientation as axis angle pair.
>>> import damask
>>> import numpy as np
>>> damask.Rotation(np.array([1,0,0,0])).as_axis_angle()
array([0., 0., 1., 0.])
""" """
ax = Rotation._qu2ax(self.quaternion) ax = Rotation._qu2ax(self.quaternion)
if degrees: ax[...,3] = np.degrees(ax[...,3]) if degrees: ax[...,3] = np.degrees(ax[...,3])
@ -541,6 +559,17 @@ class Rotation:
R : numpy.ndarray of shape (...,3,3) R : numpy.ndarray of shape (...,3,3)
Rotation matrix R, det(R) = 1, R.T∙R=I. Rotation matrix R, det(R) = 1, R.T∙R=I.
Examples
--------
Cube orientation as rotation matrix.
>>> import damask
>>> import numpy as np
>>> damask.Rotation(np.array([1,0,0,0])).as_matrix()
array([[1., 0., 0.],
[0., 1., 0.],
[0., 0., 1.]])
""" """
return Rotation._qu2om(self.quaternion) return Rotation._qu2om(self.quaternion)
@ -563,6 +592,15 @@ class Rotation:
numpy.ndarray of shape (...,3) containing numpy.ndarray of shape (...,3) containing
tan(ω/2) [n_1, n_2, n_3], ω ∈ [0,π]. tan(ω/2) [n_1, n_2, n_3], ω ∈ [0,π].
Examples
--------
Cube orientation as 'real' Rodrigues-Frank vector.
>>> import damask
>>> import numpy as np
>>> damask.Rotation(np.array([1,0,0,0])).as_Rodrigues_vector(compact=True)
array([ 0., 0., 0.])
""" """
ro = Rotation._qu2ro(self.quaternion) ro = Rotation._qu2ro(self.quaternion)
if compact: if compact:
@ -580,6 +618,15 @@ class Rotation:
h : numpy.ndarray of shape (...,3) h : numpy.ndarray of shape (...,3)
Homochoric vector: (h_1, h_2, h_3), ǀhǀ < (3/4*π)^(1/3). Homochoric vector: (h_1, h_2, h_3), ǀhǀ < (3/4*π)^(1/3).
Examples
--------
Cube orientation as homochoric vector.
>>> import damask
>>> import numpy as np
>>> damask.Rotation(np.array([1,0,0,0])).as_homochoric()
array([0., 0., 0.])
""" """
return Rotation._qu2ho(self.quaternion) return Rotation._qu2ho(self.quaternion)
@ -592,6 +639,15 @@ class Rotation:
x : numpy.ndarray of shape (...,3) x : numpy.ndarray of shape (...,3)
Cubochoric vector: (x_1, x_2, x_3), max(x_i) < 1/2*π^(2/3). Cubochoric vector: (x_1, x_2, x_3), max(x_i) < 1/2*π^(2/3).
Examples
--------
Cube orientation as cubochoric vector.
>>> import damask
>>> import numpy as np
>>> damask.Rotation(np.array([1,0,0,0])).as_cubochoric()
array([0., 0., 0.])
""" """
return Rotation._qu2cu(self.quaternion) return Rotation._qu2cu(self.quaternion)

2
python/damask/grid_filters.py
View File

@ -2,7 +2,7 @@
Filters for operations on regular grids. Filters for operations on regular grids.
The grids are defined as (x,y,z,...) where x is fastest and z is slowest. The grids are defined as (x,y,z,...) where x is fastest and z is slowest.
This convention is consistent with the layout in grid vtr files. This convention is consistent with the layout in grid vti files.
When converting to/from a plain list (e.g. storage in ASCII table), When converting to/from a plain list (e.g. storage in ASCII table),
the following operations are required for tensorial data: the following operations are required for tensorial data:

2
python/damask/solver/_marc.py
View File

@ -3,7 +3,7 @@ import shlex
import re import re
from pathlib import Path from pathlib import Path
_msc_version = 2020 _msc_version = 2021.2
_msc_root = '/opt/msc' _msc_root = '/opt/msc'
_damask_root = str(Path(__file__).parents[3]) _damask_root = str(Path(__file__).parents[3])

8
src/CPFEM.f90
View File

@ -189,9 +189,11 @@ subroutine CPFEM_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyS
CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_eye(6) CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_eye(6)
else validCalculation else validCalculation
if (debugCPFEM%extensive) & if (debugCPFEM%extensive) print'(a,i8,1x,i2)', '<< CPFEM >> calculation for elFE ip ',elFE,ip
print'(a,i8,1x,i2)', '<< CPFEM >> calculation for elFE ip ',elFE,ip call homogenization_mechanical_response(dt,[ip,ip],[elCP,elCP])
call materialpoint_stressAndItsTangent(dt,[ip,ip],[elCP,elCP]) if (.not. terminallyIll) &
call homogenization_mechanical_response2(dt,[ip,ip],[elCP,elCP])
terminalIllness: if (terminallyIll) then terminalIllness: if (terminallyIll) then

447
src/Marc/include/concom2021.2 vendored Normal file
View File

@ -0,0 +1,447 @@
! 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
dimension :: ideva(60)
integer num_concom
parameter(num_concom=261)
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
!
! 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
! 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
!
! 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.
! 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
! 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
! 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 software (ADAMS-MARC)
! 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 = 1 stress-life fatigue
! = 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
!
!***********************************************************************
!$omp threadprivate(/marc_concom/)
!!

66
src/Marc/include/creeps2021.2 vendored Normal file
View File

@ -0,0 +1,66 @@
! 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
parameter(num_creepsr=7)
parameter(num_creepsi=17)
parameter(num_creeps2r=6)
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 Pointer to constant 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 Pointer to storage of material id cross reference numbers.
! iicpmt
! iicpa Pointer to constant 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/)
!!

8
src/YAML_parse.f90
View File

@ -79,7 +79,7 @@ recursive function parse_flow(YAML_flow) result(node)
class is (tDict) class is (tDict)
call node%set(key,myVal) call node%set(key,myVal)
end select end select
end do enddo
elseif (flow_string(1:1) == '[') then ! start of a list elseif (flow_string(1:1) == '[') then ! start of a list
e = 1 e = 1
allocate(tList::node) allocate(tList::node)
@ -92,7 +92,7 @@ recursive function parse_flow(YAML_flow) result(node)
class is (tList) class is (tList)
call node%append(myVal) call node%append(myVal)
end select end select
end do enddo
else ! scalar value else ! scalar value
allocate(tScalar::node) allocate(tScalar::node)
select type (node) select type (node)
@ -533,7 +533,7 @@ recursive subroutine lst(blck,flow,s_blck,s_flow,offset)
s_flow = s_flow + 2 s_flow = s_flow + 2
endif endif
end do enddo
s_flow = s_flow - 1 s_flow = s_flow - 1
if (flow(s_flow-1:s_flow-1) == ',') s_flow = s_flow - 1 if (flow(s_flow-1:s_flow-1) == ',') s_flow = s_flow - 1
@ -620,7 +620,7 @@ recursive subroutine dct(blck,flow,s_blck,s_flow,offset)
flow(s_flow:s_flow) = ' ' flow(s_flow:s_flow) = ' '
s_flow = s_flow + 1 s_flow = s_flow + 1
offset = 0 offset = 0
end do enddo
s_flow = s_flow - 1 s_flow = s_flow - 1
if (flow(s_flow-1:s_flow-1) == ',') s_flow = s_flow - 1 if (flow(s_flow-1:s_flow-1) == ',') s_flow = s_flow - 1

8
src/YAML_types.f90
View File

@ -1082,7 +1082,7 @@ recursive function tList_asFormattedString(self,indent) result(str)
if (i /= 1) str = str//repeat(' ',indent_) if (i /= 1) str = str//repeat(' ',indent_)
str = str//'- '//item%node%asFormattedString(indent_+2) str = str//'- '//item%node%asFormattedString(indent_+2)
item => item%next item => item%next
end do enddo
end function tList_asFormattedString end function tList_asFormattedString
@ -1116,7 +1116,7 @@ recursive function tDict_asFormattedString(self,indent) result(str)
str = str//trim(item%key)//':'//IO_EOL//repeat(' ',indent_+2)//item%node%asFormattedString(indent_+2) str = str//trim(item%key)//':'//IO_EOL//repeat(' ',indent_+2)//item%node%asFormattedString(indent_+2)
endselect endselect
item => item%next item => item%next
end do enddo
end function tDict_asFormattedString end function tDict_asFormattedString
@ -1316,7 +1316,7 @@ subroutine tList_append(self,node)
item => self%first item => self%first
do while (associated(item%next)) do while (associated(item%next))
item => item%next item => item%next
end do enddo
allocate(item%next) allocate(item%next)
item => item%next item => item%next
end if end if
@ -1347,7 +1347,7 @@ subroutine tDict_set(self,key,node)
searchExisting: do while (associated(item%next)) searchExisting: do while (associated(item%next))
if (item%key == key) exit if (item%key == key) exit
item => item%next item => item%next
end do searchExisting enddo searchExisting
if (item%key /= key) then if (item%key /= key) then
allocate(item%next) allocate(item%next)
item => item%next item => item%next

2
src/grid/discretization_grid.f90
View File

@ -239,7 +239,7 @@ subroutine readVTI(grid,geomSize,origin,material)
if (gotCellData) exit if (gotCellData) exit
startPos = endPos + 2_pI64 startPos = endPos + 2_pI64
end do enddo
if(.not. allocated(material)) call IO_error(error_ID = 844, ext_msg='material data not found') if(.not. allocated(material)) call IO_error(error_ID = 844, ext_msg='material data not found')
if(size(material) /= product(grid)) call IO_error(error_ID = 844, ext_msg='size(material)') if(size(material) /= product(grid)) call IO_error(error_ID = 844, ext_msg='size(material)')

8
src/grid/grid_mech_FEM.f90
View File

@ -261,7 +261,7 @@ subroutine grid_mechanical_FEM_init
F = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) F = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3)
endif restartRead endif restartRead
homogenization_F0 = reshape(F_lastInc, [3,3,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent homogenization_F0 = reshape(F_lastInc, [3,3,product(grid(1:2))*grid3]) ! set starting condition for homogenization_mechanical_response
call utilities_updateCoords(F) call utilities_updateCoords(F)
call utilities_constitutiveResponse(P_current,P_av,C_volAvg,devNull, & ! stress field, stress avg, global average of stiffness and (min+max)/2 call utilities_constitutiveResponse(P_current,P_av,C_volAvg,devNull, & ! stress field, stress avg, global average of stiffness and (min+max)/2
F, & ! target F F, & ! target F
@ -490,8 +490,8 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,fnorm,reason,dummy,i
BCTol BCTol
err_div = fnorm*sqrt(wgt)*geomSize(1)/scaledGeomSize(1)/detJ err_div = fnorm*sqrt(wgt)*geomSize(1)/scaledGeomSize(1)/detJ
divTol = max(maxval(abs(P_av))*num%eps_div_rtol ,num%eps_div_atol) divTol = max(maxval(abs(P_av))*num%eps_div_rtol, num%eps_div_atol)
BCTol = max(maxval(abs(P_av))*num%eps_stress_rtol,num%eps_stress_atol) BCTol = max(maxval(abs(P_av))*num%eps_stress_rtol, num%eps_stress_atol)
if ((totalIter >= num%itmin .and. all([err_div/divTol, err_BC/BCTol] < 1.0_pReal)) & if ((totalIter >= num%itmin .and. all([err_div/divTol, err_BC/BCTol] < 1.0_pReal)) &
.or. terminallyIll) then .or. terminallyIll) then
@ -502,8 +502,6 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,fnorm,reason,dummy,i
reason = 0 reason = 0
endif endif
!--------------------------------------------------------------------------------------------------
! report
print'(1/,a)', ' ... reporting .............................................................' print'(1/,a)', ' ... reporting .............................................................'
print'(1/,a,f12.2,a,es8.2,a,es9.2,a)', ' error divergence = ', & print'(1/,a,f12.2,a,es8.2,a,es9.2,a)', ' error divergence = ', &
err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')' err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')'

8
src/grid/grid_mech_spectral_basic.f90
View File

@ -211,7 +211,7 @@ subroutine grid_mechanical_spectral_basic_init
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3]) F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
endif restartRead endif restartRead
homogenization_F0 = reshape(F_lastInc, [3,3,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent homogenization_F0 = reshape(F_lastInc, [3,3,product(grid(1:2))*grid3]) ! set starting condition for homogenization_mechanical_response
call utilities_updateCoords(reshape(F,shape(F_lastInc))) call utilities_updateCoords(reshape(F,shape(F_lastInc)))
call utilities_constitutiveResponse(P,P_av,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2 call utilities_constitutiveResponse(P,P_av,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
reshape(F,shape(F_lastInc)), & ! target F reshape(F,shape(F_lastInc)), & ! target F
@ -429,8 +429,8 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
divTol, & divTol, &
BCTol BCTol
divTol = max(maxval(abs(P_av))*num%eps_div_rtol ,num%eps_div_atol) divTol = max(maxval(abs(P_av))*num%eps_div_rtol, num%eps_div_atol)
BCTol = max(maxval(abs(P_av))*num%eps_stress_rtol,num%eps_stress_atol) BCTol = max(maxval(abs(P_av))*num%eps_stress_rtol, num%eps_stress_atol)
if ((totalIter >= num%itmin .and. all([err_div/divTol, err_BC/BCTol] < 1.0_pReal)) & if ((totalIter >= num%itmin .and. all([err_div/divTol, err_BC/BCTol] < 1.0_pReal)) &
.or. terminallyIll) then .or. terminallyIll) then
@ -441,8 +441,6 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
reason = 0 reason = 0
endif endif
!--------------------------------------------------------------------------------------------------
! report
print'(1/,a)', ' ... reporting .............................................................' print'(1/,a)', ' ... reporting .............................................................'
print'(1/,a,f12.2,a,es8.2,a,es9.2,a)', ' error divergence = ', & print'(1/,a,f12.2,a,es8.2,a,es9.2,a)', ' error divergence = ', &
err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')' err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')'

10
src/grid/grid_mech_spectral_polarisation.f90
View File

@ -237,7 +237,7 @@ subroutine grid_mechanical_spectral_polarisation_init
F_tau_lastInc = 2.0_pReal*F_lastInc F_tau_lastInc = 2.0_pReal*F_lastInc
endif restartRead endif restartRead
homogenization_F0 = reshape(F_lastInc, [3,3,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent homogenization_F0 = reshape(F_lastInc, [3,3,product(grid(1:2))*grid3]) ! set starting condition for homogenization_mechanical_response
call utilities_updateCoords(reshape(F,shape(F_lastInc))) call utilities_updateCoords(reshape(F,shape(F_lastInc)))
call utilities_constitutiveResponse(P,P_av,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2 call utilities_constitutiveResponse(P,P_av,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
reshape(F,shape(F_lastInc)), & ! target F reshape(F,shape(F_lastInc)), & ! target F
@ -487,9 +487,9 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
divTol, & divTol, &
BCTol BCTol
curlTol = max(maxval(abs(F_aim-math_I3))*num%eps_curl_rtol ,num%eps_curl_atol) curlTol = max(maxval(abs(F_aim-math_I3))*num%eps_curl_rtol, num%eps_curl_atol)
divTol = max(maxval(abs(P_av)) *num%eps_div_rtol ,num%eps_div_atol) divTol = max(maxval(abs(P_av))*num%eps_div_rtol, num%eps_div_atol)
BCTol = max(maxval(abs(P_av)) *num%eps_stress_rtol,num%eps_stress_atol) BCTol = max(maxval(abs(P_av))*num%eps_stress_rtol, num%eps_stress_atol)
if ((totalIter >= num%itmin .and. all([err_div/divTol, err_curl/curlTol, err_BC/BCTol] < 1.0_pReal)) & if ((totalIter >= num%itmin .and. all([err_div/divTol, err_curl/curlTol, err_BC/BCTol] < 1.0_pReal)) &
.or. terminallyIll) then .or. terminallyIll) then
@ -500,8 +500,6 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
reason = 0 reason = 0
endif endif
!--------------------------------------------------------------------------------------------------
! report
print'(1/,a)', ' ... reporting .............................................................' print'(1/,a)', ' ... reporting .............................................................'
print'(1/,a,f12.2,a,es8.2,a,es9.2,a)', ' error divergence = ', & print'(1/,a,f12.2,a,es8.2,a,es9.2,a)', ' error divergence = ', &
err_div/divTol, ' (',err_div, ' / m, tol = ',divTol,')' err_div/divTol, ' (',err_div, ' / m, tol = ',divTol,')'

10
src/grid/spectral_utilities.f90
View File

@ -815,10 +815,14 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
homogenization_F = reshape(F,[3,3,product(grid(1:2))*grid3]) ! set materialpoint target F to estimated field homogenization_F = reshape(F,[3,3,product(grid(1:2))*grid3]) ! set materialpoint target F to estimated field
call materialpoint_stressAndItsTangent(timeinc,[1,1],[1,product(grid(1:2))*grid3]) ! calculate P field call homogenization_mechanical_response(timeinc,[1,1],[1,product(grid(1:2))*grid3]) ! calculate P field
if (.not. terminallyIll) &
call homogenization_thermal_response(timeinc,[1,1],[1,product(grid(1:2))*grid3])
if (.not. terminallyIll) &
call homogenization_mechanical_response2(timeinc,[1,1],[1,product(grid(1:2))*grid3])
P = reshape(homogenization_P, [3,3,grid(1),grid(2),grid3]) P = reshape(homogenization_P, [3,3,grid(1),grid(2),grid3])
P_av = sum(sum(sum(P,dim=5),dim=4),dim=3) * wgt ! average of P P_av = sum(sum(sum(P,dim=5),dim=4),dim=3) * wgt
call MPI_Allreduce(MPI_IN_PLACE,P_av,9,MPI_DOUBLE,MPI_SUM,MPI_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,P_av,9,MPI_DOUBLE,MPI_SUM,MPI_COMM_WORLD,ierr)
if (debugRotation) print'(/,a,/,2(3(2x,f12.4,1x)/),3(2x,f12.4,1x))', & if (debugRotation) print'(/,a,/,2(3(2x,f12.4,1x)/),3(2x,f12.4,1x))', &
' Piola--Kirchhoff stress (lab) / MPa =', transpose(P_av)*1.e-6_pReal ' Piola--Kirchhoff stress (lab) / MPa =', transpose(P_av)*1.e-6_pReal
@ -840,7 +844,7 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
dPdF_min = homogenization_dPdF(1:3,1:3,1:3,1:3,i) dPdF_min = homogenization_dPdF(1:3,1:3,1:3,1:3,i)
dPdF_norm_min = sum(homogenization_dPdF(1:3,1:3,1:3,1:3,i)**2.0_pReal) dPdF_norm_min = sum(homogenization_dPdF(1:3,1:3,1:3,1:3,i)**2.0_pReal)
endif endif
end do enddo
valueAndRank = [dPdF_norm_max,real(worldrank,pReal)] valueAndRank = [dPdF_norm_max,real(worldrank,pReal)]
call MPI_Allreduce(MPI_IN_PLACE,valueAndRank,1, MPI_2DOUBLE_PRECISION, MPI_MAXLOC, MPI_COMM_WORLD, ierr) call MPI_Allreduce(MPI_IN_PLACE,valueAndRank,1, MPI_2DOUBLE_PRECISION, MPI_MAXLOC, MPI_COMM_WORLD, ierr)

94
src/homogenization.f90
View File

@ -101,8 +101,8 @@ module homogenization
integer, intent(in) :: ce integer, intent(in) :: ce
end subroutine damage_partition end subroutine damage_partition
module subroutine mechanical_homogenize(dt,ce) module subroutine mechanical_homogenize(Delta_t,ce)
real(pReal), intent(in) :: dt real(pReal), intent(in) :: Delta_t
integer, intent(in) :: & integer, intent(in) :: &
ce !< cell ce !< cell
end subroutine mechanical_homogenize end subroutine mechanical_homogenize
@ -178,7 +178,9 @@ module homogenization
public :: & public :: &
homogenization_init, & homogenization_init, &
materialpoint_stressAndItsTangent, & homogenization_mechanical_response, &
homogenization_mechanical_response2, &
homogenization_thermal_response, &
homogenization_mu_T, & homogenization_mu_T, &
homogenization_K_T, & homogenization_K_T, &
homogenization_f_T, & homogenization_f_T, &
@ -227,24 +229,24 @@ end subroutine homogenization_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief parallelized calculation of stress and corresponding tangent at material points !> @brief
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execElem) subroutine homogenization_mechanical_response(Delta_t,FEsolving_execIP,FEsolving_execElem)
real(pReal), intent(in) :: dt !< time increment real(pReal), intent(in) :: Delta_t !< time increment
integer, dimension(2), intent(in) :: FEsolving_execElem, FEsolving_execIP integer, dimension(2), intent(in) :: FEsolving_execElem, FEsolving_execIP
integer :: & integer :: &
NiterationMPstate, & NiterationMPstate, &
ip, & !< integration point number ip, & !< integration point number
el, & !< element number el, & !< element number
co, ce, ho, en, ph co, ce, ho, en
logical :: & logical :: &
converged converged
logical, dimension(2) :: & logical, dimension(2) :: &
doneAndHappy doneAndHappy
!$OMP PARALLEL
!$OMP DO PRIVATE(ce,en,ho,NiterationMPstate,converged,doneAndHappy) !$OMP PARALLEL DO PRIVATE(ce,en,ho,NiterationMPstate,converged,doneAndHappy)
do el = FEsolving_execElem(1),FEsolving_execElem(2) do el = FEsolving_execElem(1),FEsolving_execElem(2)
do ip = FEsolving_execIP(1),FEsolving_execIP(2) do ip = FEsolving_execIP(1),FEsolving_execIP(2)
@ -266,29 +268,42 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
NiterationMPstate = NiterationMPstate + 1 NiterationMPstate = NiterationMPstate + 1
call mechanical_partition(homogenization_F(1:3,1:3,ce),ce) call mechanical_partition(homogenization_F(1:3,1:3,ce),ce)
converged = .true. converged = all([(phase_mechanical_constitutive(Delta_t,co,ip,el),co=1,homogenization_Nconstituents(ho))])
do co = 1, homogenization_Nconstituents(ho)
converged = converged .and. crystallite_stress(dt,co,ip,el)
enddo
if (converged) then if (converged) then
doneAndHappy = mechanical_updateState(dt,homogenization_F(1:3,1:3,ce),ce) doneAndHappy = mechanical_updateState(Delta_t,homogenization_F(1:3,1:3,ce),ce)
converged = all(doneAndHappy) converged = all(doneAndHappy)
else else
doneAndHappy = [.true.,.false.] doneAndHappy = [.true.,.false.]
endif endif
enddo convergenceLooping enddo convergenceLooping
converged = converged .and. all([(phase_damage_constitutive(Delta_t,co,ip,el),co=1,homogenization_Nconstituents(ho))])
if (.not. converged) then if (.not. converged) then
if (.not. terminallyIll) print*, ' Integration point ', ip,' at element ', el, ' terminally ill' if (.not. terminallyIll) print*, ' Cell ', ce, ' terminally ill'
terminallyIll = .true. terminallyIll = .true.
endif endif
enddo enddo
enddo enddo
!$OMP END DO !$OMP END PARALLEL DO
if (.not. terminallyIll) then end subroutine homogenization_mechanical_response
!$OMP DO PRIVATE(ho,ph,ce)
!--------------------------------------------------------------------------------------------------
!> @brief
!--------------------------------------------------------------------------------------------------
subroutine homogenization_thermal_response(Delta_t,FEsolving_execIP,FEsolving_execElem)
real(pReal), intent(in) :: Delta_t !< time increment
integer, dimension(2), intent(in) :: FEsolving_execElem, FEsolving_execIP
integer :: &
ip, & !< integration point number
el, & !< element number
co, ce, ho
!$OMP PARALLEL DO PRIVATE(ho,ce)
do el = FEsolving_execElem(1),FEsolving_execElem(2) do el = FEsolving_execElem(1),FEsolving_execElem(2)
if (terminallyIll) continue if (terminallyIll) continue
do ip = FEsolving_execIP(1),FEsolving_execIP(2) do ip = FEsolving_execIP(1),FEsolving_execIP(2)
@ -296,18 +311,32 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
ho = material_homogenizationID(ce) ho = material_homogenizationID(ce)
call thermal_partition(ce) call thermal_partition(ce)
do co = 1, homogenization_Nconstituents(ho) do co = 1, homogenization_Nconstituents(ho)
ph = material_phaseID(co,ce) if (.not. phase_thermal_constitutive(Delta_t,material_phaseID(co,ce),material_phaseEntry(co,ce))) then
if (.not. thermal_stress(dt,ph,material_phaseMemberAt(co,ip,el))) then if (.not. terminallyIll) print*, ' Cell ', ce, ' terminally ill'
if (.not. terminallyIll) & ! so first signals terminally ill... terminallyIll = .true.
print*, ' Integration point ', ip,' at element ', el, ' terminally ill'
terminallyIll = .true. ! ...and kills all others
endif endif
enddo enddo
enddo enddo
enddo enddo
!$OMP END DO !$OMP END PARALLEL DO
!$OMP DO PRIVATE(ho,ce) end subroutine homogenization_thermal_response
!--------------------------------------------------------------------------------------------------
!> @brief
!--------------------------------------------------------------------------------------------------
subroutine homogenization_mechanical_response2(Delta_t,FEsolving_execIP,FEsolving_execElem)
real(pReal), intent(in) :: Delta_t !< time increment
integer, dimension(2), intent(in) :: FEsolving_execElem, FEsolving_execIP
integer :: &
ip, & !< integration point number
el, & !< element number
co, ce, ho
!$OMP PARALLEL DO PRIVATE(ho,ce)
elementLooping3: do el = FEsolving_execElem(1),FEsolving_execElem(2) elementLooping3: do el = FEsolving_execElem(1),FEsolving_execElem(2)
IpLooping3: do ip = FEsolving_execIP(1),FEsolving_execIP(2) IpLooping3: do ip = FEsolving_execIP(1),FEsolving_execIP(2)
ce = (el-1)*discretization_nIPs + ip ce = (el-1)*discretization_nIPs + ip
@ -315,16 +344,13 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
do co = 1, homogenization_Nconstituents(ho) do co = 1, homogenization_Nconstituents(ho)
call crystallite_orientations(co,ip,el) call crystallite_orientations(co,ip,el)
enddo enddo
call mechanical_homogenize(dt,ce) call mechanical_homogenize(Delta_t,ce)
enddo IpLooping3 enddo IpLooping3
enddo elementLooping3 enddo elementLooping3
!$OMP END DO !$OMP END PARALLEL DO
else
print'(/,a,/)', ' << HOMOG >> Material Point terminally ill'
endif
!$OMP END PARALLEL
end subroutine materialpoint_stressAndItsTangent
end subroutine homogenization_mechanical_response2
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

8
src/homogenization_mechanical.f90
View File

@ -123,21 +123,21 @@ end subroutine mechanical_partition
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Average P and dPdF from the individual constituents. !> @brief Average P and dPdF from the individual constituents.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine mechanical_homogenize(dt,ce) module subroutine mechanical_homogenize(Delta_t,ce)
real(pReal), intent(in) :: dt real(pReal), intent(in) :: Delta_t
integer, intent(in) :: ce integer, intent(in) :: ce
integer :: co integer :: co
homogenization_P(1:3,1:3,ce) = phase_P(1,ce) homogenization_P(1:3,1:3,ce) = phase_P(1,ce)
homogenization_dPdF(1:3,1:3,1:3,1:3,ce) = phase_mechanical_dPdF(dt,1,ce) homogenization_dPdF(1:3,1:3,1:3,1:3,ce) = phase_mechanical_dPdF(Delta_t,1,ce)
do co = 2, homogenization_Nconstituents(material_homogenizationID(ce)) do co = 2, homogenization_Nconstituents(material_homogenizationID(ce))
homogenization_P(1:3,1:3,ce) = homogenization_P(1:3,1:3,ce) & homogenization_P(1:3,1:3,ce) = homogenization_P(1:3,1:3,ce) &
+ phase_P(co,ce) + phase_P(co,ce)
homogenization_dPdF(1:3,1:3,1:3,1:3,ce) = homogenization_dPdF(1:3,1:3,1:3,1:3,ce) & homogenization_dPdF(1:3,1:3,1:3,1:3,ce) = homogenization_dPdF(1:3,1:3,1:3,1:3,ce) &
+ phase_mechanical_dPdF(dt,co,ce) + phase_mechanical_dPdF(Delta_t,co,ce)
enddo enddo
homogenization_P(1:3,1:3,ce) = homogenization_P(1:3,1:3,ce) & homogenization_P(1:3,1:3,ce) = homogenization_P(1:3,1:3,ce) &

27
src/math.f90
View File

@ -646,9 +646,8 @@ pure function math_33to9(m33)
integer :: i integer :: i
do i = 1, 9
math_33to9(i) = m33(MAPPLAIN(1,i),MAPPLAIN(2,i)) math_33to9 = [(m33(MAPPLAIN(1,i),MAPPLAIN(2,i)),i=1,9)]
enddo
end function math_33to9 end function math_33to9
@ -663,6 +662,7 @@ pure function math_9to33(v9)
integer :: i integer :: i
do i = 1, 9 do i = 1, 9
math_9to33(MAPPLAIN(1,i),MAPPLAIN(2,i)) = v9(i) math_9to33(MAPPLAIN(1,i),MAPPLAIN(2,i)) = v9(i)
enddo enddo
@ -685,15 +685,14 @@ pure function math_sym33to6(m33,weighted)
real(pReal), dimension(6) :: w real(pReal), dimension(6) :: w
integer :: i integer :: i
if(present(weighted)) then if(present(weighted)) then
w = merge(NRMMANDEL,1.0_pReal,weighted) w = merge(NRMMANDEL,1.0_pReal,weighted)
else else
w = NRMMANDEL w = NRMMANDEL
endif endif
do i = 1, 6 math_sym33to6 = [(w(i)*m33(MAPNYE(1,i),MAPNYE(2,i)),i=1,6)]
math_sym33to6(i) = w(i)*m33(MAPNYE(1,i),MAPNYE(2,i))
enddo
end function math_sym33to6 end function math_sym33to6
@ -842,18 +841,18 @@ end function math_Voigt66to3333
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief draw a random sample from Gauss variable !> @brief draw a random sample from Gauss variable
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
real(pReal) function math_sampleGaussVar(meanvalue, stddev, width) real(pReal) function math_sampleGaussVar(mu, sigma, width)
real(pReal), intent(in) :: meanvalue, & !< meanvalue of gauss distribution real(pReal), intent(in) :: mu, & !< mean
stddev !< standard deviation of gauss distribution sigma !< standard deviation
real(pReal), intent(in), optional :: width !< width of considered values as multiples of standard deviation real(pReal), intent(in), optional :: width !< cut off as multiples of standard deviation
real(pReal), dimension(2) :: rnd ! random numbers real(pReal), dimension(2) :: rnd ! random numbers
real(pReal) :: scatter, & ! normalized scatter around meanvalue real(pReal) :: scatter, & ! normalized scatter around mean
width_ width_
if (abs(stddev) < tol_math_check) then if (abs(sigma) < tol_math_check) then
math_sampleGaussVar = meanvalue math_sampleGaussVar = mu
else else
if (present(width)) then if (present(width)) then
width_ = width width_ = width
@ -867,7 +866,7 @@ real(pReal) function math_sampleGaussVar(meanvalue, stddev, width)
if (rnd(2) <= exp(-0.5_pReal * scatter ** 2.0_pReal)) exit ! test if scattered value is drawn if (rnd(2) <= exp(-0.5_pReal * scatter ** 2.0_pReal)) exit ! test if scattered value is drawn
enddo enddo
math_sampleGaussVar = scatter * stddev math_sampleGaussVar = scatter * sigma
endif endif
end function math_sampleGaussVar end function math_sampleGaussVar

7
src/mesh/FEM_utilities.f90
View File

@ -162,9 +162,10 @@ subroutine utilities_constitutiveResponse(timeinc,P_av,forwardData)
print'(/,a)', ' ... evaluating constitutive response ......................................' print'(/,a)', ' ... evaluating constitutive response ......................................'
call materialpoint_stressAndItsTangent(timeinc,[1,mesh_maxNips],[1,mesh_NcpElems]) ! calculate P field call homogenization_mechanical_response(timeinc,[1,mesh_maxNips],[1,mesh_NcpElems]) ! calculate P field
if (.not. terminallyIll) &
cutBack = .false. ! reset cutBack status call homogenization_mechanical_response2(timeinc,[1,mesh_maxNips],[1,mesh_NcpElems])
cutBack = .false.
P_av = sum(homogenization_P,dim=3) * wgt P_av = sum(homogenization_P,dim=3) * wgt
call MPI_Allreduce(MPI_IN_PLACE,P_av,9,MPI_DOUBLE,MPI_SUM,MPI_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,P_av,9,MPI_DOUBLE,MPI_SUM,MPI_COMM_WORLD,ierr)

2
src/mesh/discretization_mesh.f90
View File

@ -161,7 +161,7 @@ subroutine discretization_mesh_init(restart)
do j = 1, mesh_NcpElems do j = 1, mesh_NcpElems
call DMGetLabelValue(geomMesh,'Cell Sets',j-1,materialAt(j),ierr) call DMGetLabelValue(geomMesh,'Cell Sets',j-1,materialAt(j),ierr)
CHKERRQ(ierr) CHKERRQ(ierr)
end do enddo
materialAt = materialAt + 1 materialAt = materialAt + 1
if (debug_element < 1 .or. debug_element > mesh_NcpElems) call IO_error(602,ext_msg='element') if (debug_element < 1 .or. debug_element > mesh_NcpElems) call IO_error(602,ext_msg='element')

3
src/mesh/mesh_mech_FEM.f90
View File

@ -710,7 +710,8 @@ subroutine FEM_mechanical_updateCoords()
do p=pStart, pEnd-1 do p=pStart, pEnd-1
call DMPlexGetPointLocal(dm_local, p, s, e, ierr); CHKERRQ(ierr) call DMPlexGetPointLocal(dm_local, p, s, e, ierr); CHKERRQ(ierr)
nodeCoords(1:dimPlex,p)=nodeCoords_linear(s+1:e) nodeCoords(1:dimPlex,p)=nodeCoords_linear(s+1:e)
end do enddo
call discretization_setNodeCoords(nodeCoords) call discretization_setNodeCoords(nodeCoords)
call VecRestoreArrayF90(x_local,nodeCoords_linear,ierr); CHKERRQ(ierr) call VecRestoreArrayF90(x_local,nodeCoords_linear,ierr); CHKERRQ(ierr)

62
src/phase.f90
View File

@ -108,9 +108,13 @@ module phase
logical, intent(in) :: includeL logical, intent(in) :: includeL
end subroutine mechanical_restore end subroutine mechanical_restore
module subroutine damage_restore(ce)
integer, intent(in) :: ce
end subroutine damage_restore
module function phase_mechanical_dPdF(dt,co,ce) result(dPdF)
real(pReal), intent(in) :: dt module function phase_mechanical_dPdF(Delta_t,co,ce) result(dPdF)
real(pReal), intent(in) :: Delta_t
integer, intent(in) :: & integer, intent(in) :: &
co, & !< counter in constituent loop co, & !< counter in constituent loop
ce ce
@ -164,8 +168,8 @@ module phase
real(pReal) :: dot_T real(pReal) :: dot_T
end function thermal_dot_T end function thermal_dot_T
module function damage_phi(ph,me) result(phi) module function damage_phi(ph,en) result(phi)
integer, intent(in) :: ph,me integer, intent(in) :: ph,en
real(pReal) :: phi real(pReal) :: phi
end function damage_phi end function damage_phi
@ -209,29 +213,27 @@ module phase
! == cleaned:end =================================================================================== ! == cleaned:end ===================================================================================
module function thermal_stress(Delta_t,ph,en) result(converged_) module function phase_thermal_constitutive(Delta_t,ph,en) result(converged_)
real(pReal), intent(in) :: Delta_t real(pReal), intent(in) :: Delta_t
integer, intent(in) :: ph, en integer, intent(in) :: ph, en
logical :: converged_ logical :: converged_
end function thermal_stress end function phase_thermal_constitutive
module function integrateDamageState(dt,co,ce) result(broken) module function phase_damage_constitutive(Delta_t,co,ip,el) result(converged_)
real(pReal), intent(in) :: dt real(pReal), intent(in) :: Delta_t
integer, intent(in) :: &
ce, &
co
logical :: broken
end function integrateDamageState
module function crystallite_stress(dt,co,ip,el) result(converged_)
real(pReal), intent(in) :: dt
integer, intent(in) :: co, ip, el integer, intent(in) :: co, ip, el
logical :: converged_ logical :: converged_
end function crystallite_stress end function phase_damage_constitutive
!ToDo: Try to merge the all stiffness functions module function phase_mechanical_constitutive(Delta_t,co,ip,el) result(converged_)
real(pReal), intent(in) :: Delta_t
integer, intent(in) :: co, ip, el
logical :: converged_
end function phase_mechanical_constitutive
!ToDo: Merge all the stiffness functions
module function phase_homogenizedC(ph,en) result(C) module function phase_homogenizedC(ph,en) result(C)
integer, intent(in) :: ph, en integer, intent(in) :: ph, en
real(pReal), dimension(6,6) :: C real(pReal), dimension(6,6) :: C
@ -271,8 +273,8 @@ module phase
end subroutine plastic_dependentState end subroutine plastic_dependentState
module subroutine damage_anisobrittle_LiAndItsTangent(Ld, dLd_dTstar, S, ph,me) module subroutine damage_anisobrittle_LiAndItsTangent(Ld, dLd_dTstar, S, ph,en)
integer, intent(in) :: ph, me integer, intent(in) :: ph, en
real(pReal), intent(in), dimension(3,3) :: & real(pReal), intent(in), dimension(3,3) :: &
S S
real(pReal), intent(out), dimension(3,3) :: & real(pReal), intent(out), dimension(3,3) :: &
@ -315,14 +317,14 @@ module phase
plastic_nonlocal_updateCompatibility, & plastic_nonlocal_updateCompatibility, &
converged, & converged, &
crystallite_init, & crystallite_init, &
crystallite_stress, & phase_mechanical_constitutive, &
thermal_stress, & phase_thermal_constitutive, &
phase_damage_constitutive, &
phase_mechanical_dPdF, & phase_mechanical_dPdF, &
crystallite_orientations, & crystallite_orientations, &
crystallite_push33ToRef, & crystallite_push33ToRef, &
phase_restartWrite, & phase_restartWrite, &
phase_restartRead, & phase_restartRead, &
integrateDamageState, &
phase_thermal_setField, & phase_thermal_setField, &
phase_set_phi, & phase_set_phi, &
phase_P, & phase_P, &
@ -435,17 +437,9 @@ subroutine phase_restore(ce,includeL)
logical, intent(in) :: includeL logical, intent(in) :: includeL
integer, intent(in) :: ce integer, intent(in) :: ce
integer :: &
co
do co = 1,homogenization_Nconstituents(material_homogenizationID(ce))
if (damageState(material_phaseID(co,ce))%sizeState > 0) &
damageState(material_phaseID(co,ce))%state( :,material_phaseEntry(co,ce)) = &
damageState(material_phaseID(co,ce))%state0(:,material_phaseEntry(co,ce))
enddo
call mechanical_restore(ce,includeL) call mechanical_restore(ce,includeL)
call damage_restore(ce)
end subroutine phase_restore end subroutine phase_restore
@ -545,10 +539,6 @@ subroutine crystallite_init()
phases => config_material%get('phase') phases => config_material%get('phase')
do ph = 1, phases%length
if (damageState(ph)%sizeState > 0) allocate(damageState(ph)%subState0,source=damageState(ph)%state0) ! ToDo: hack
enddo
print'(a42,1x,i10)', ' # of elements: ', eMax print'(a42,1x,i10)', ' # of elements: ', eMax
print'(a42,1x,i10)', ' # of integration points/element: ', iMax print'(a42,1x,i10)', ' # of integration points/element: ', iMax
print'(a42,1x,i10)', 'max # of constituents/integration point: ', cMax print'(a42,1x,i10)', 'max # of constituents/integration point: ', cMax

116
src/phase_damage.f90
View File

@ -39,8 +39,8 @@ submodule(phase) damage
end function isobrittle_init end function isobrittle_init
module subroutine isobrittle_deltaState(C, Fe, ph, me) module subroutine isobrittle_deltaState(C, Fe, ph, en)
integer, intent(in) :: ph,me integer, intent(in) :: ph,en
real(pReal), intent(in), dimension(3,3) :: & real(pReal), intent(in), dimension(3,3) :: &
Fe Fe
real(pReal), intent(in), dimension(6,6) :: & real(pReal), intent(in), dimension(6,6) :: &
@ -48,8 +48,8 @@ submodule(phase) damage
end subroutine isobrittle_deltaState end subroutine isobrittle_deltaState
module subroutine anisobrittle_dotState(S, ph, me) module subroutine anisobrittle_dotState(S, ph, en)
integer, intent(in) :: ph,me integer, intent(in) :: ph,en
real(pReal), intent(in), dimension(3,3) :: & real(pReal), intent(in), dimension(3,3) :: &
S S
end subroutine anisobrittle_dotState end subroutine anisobrittle_dotState
@ -125,6 +125,29 @@ module subroutine damage_init
end subroutine damage_init end subroutine damage_init
!--------------------------------------------------------------------------------------------------
!> @brief calculate stress (P)
!--------------------------------------------------------------------------------------------------
module function phase_damage_constitutive(Delta_t,co,ip,el) result(converged_)
real(pReal), intent(in) :: Delta_t
integer, intent(in) :: &
co, &
ip, &
el
logical :: converged_
integer :: &
ph, en
ph = material_phaseID(co,(el-1)*discretization_nIPs + ip)
en = material_phaseEntry(co,(el-1)*discretization_nIPs + ip)
converged_ = .not. integrateDamageState(Delta_t,ph,en)
end function phase_damage_constitutive
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief returns the degraded/modified elasticity matrix !> @brief returns the degraded/modified elasticity matrix
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -144,6 +167,26 @@ module function phase_damage_C(C_homogenized,ph,en) result(C)
end function phase_damage_C end function phase_damage_C
!--------------------------------------------------------------------------------------------------
!> @brief Restore data after homog cutback.
!--------------------------------------------------------------------------------------------------
module subroutine damage_restore(ce)
integer, intent(in) :: ce
integer :: &
co
do co = 1,homogenization_Nconstituents(material_homogenizationID(ce))
if (damageState(material_phaseID(co,ce))%sizeState > 0) &
damageState(material_phaseID(co,ce))%state( :,material_phaseEntry(co,ce)) = &
damageState(material_phaseID(co,ce))%state0(:,material_phaseEntry(co,ce))
enddo
end subroutine damage_restore
!---------------------------------------------------------------------------------------------- !----------------------------------------------------------------------------------------------
!< @brief returns local part of nonlocal damage driving force !< @brief returns local part of nonlocal damage driving force
!---------------------------------------------------------------------------------------------- !----------------------------------------------------------------------------------------------
@ -173,23 +216,20 @@ module function phase_f_phi(phi,co,ce) result(f)
end function phase_f_phi end function phase_f_phi
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief integrate stress, state with adaptive 1st order explicit Euler method !> @brief integrate stress, state with adaptive 1st order explicit Euler method
!> using Fixed Point Iteration to adapt the stepsize !> using Fixed Point Iteration to adapt the stepsize
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module function integrateDamageState(dt,co,ce) result(broken) function integrateDamageState(Delta_t,ph,en) result(broken)
real(pReal), intent(in) :: dt real(pReal), intent(in) :: Delta_t
integer, intent(in) :: & integer, intent(in) :: &
ce, & ph, &
co en
logical :: broken logical :: broken
integer :: & integer :: &
NiterationState, & !< number of iterations in state loop NiterationState, & !< number of iterations in state loop
ph, &
me, &
size_so size_so
real(pReal) :: & real(pReal) :: &
zeta zeta
@ -199,8 +239,6 @@ module function integrateDamageState(dt,co,ce) result(broken)
logical :: & logical :: &
converged_ converged_
ph = material_phaseID(co,ce)
me = material_phaseEntry(co,ce)
if (damageState(ph)%sizeState == 0) then if (damageState(ph)%sizeState == 0) then
broken = .false. broken = .false.
@ -208,37 +246,37 @@ module function integrateDamageState(dt,co,ce) result(broken)
endif endif
converged_ = .true. converged_ = .true.
broken = phase_damage_collectDotState(ph,me) broken = phase_damage_collectDotState(ph,en)
if(broken) return if(broken) return
size_so = damageState(ph)%sizeDotState size_so = damageState(ph)%sizeDotState
damageState(ph)%state(1:size_so,me) = damageState(ph)%subState0(1:size_so,me) & damageState(ph)%state(1:size_so,en) = damageState(ph)%state0 (1:size_so,en) &
+ damageState(ph)%dotState (1:size_so,me) * dt + damageState(ph)%dotState(1:size_so,en) * Delta_t
source_dotState(1:size_so,2) = 0.0_pReal source_dotState(1:size_so,2) = 0.0_pReal
iteration: do NiterationState = 1, num%nState iteration: do NiterationState = 1, num%nState
if(nIterationState > 1) source_dotState(1:size_so,2) = source_dotState(1:size_so,1) if(nIterationState > 1) source_dotState(1:size_so,2) = source_dotState(1:size_so,1)
source_dotState(1:size_so,1) = damageState(ph)%dotState(:,me) source_dotState(1:size_so,1) = damageState(ph)%dotState(:,en)
broken = phase_damage_collectDotState(ph,me) broken = phase_damage_collectDotState(ph,en)
if(broken) exit iteration if(broken) exit iteration
zeta = damper(damageState(ph)%dotState(:,me),source_dotState(1:size_so,1),source_dotState(1:size_so,2)) zeta = damper(damageState(ph)%dotState(:,en),source_dotState(1:size_so,1),source_dotState(1:size_so,2))
damageState(ph)%dotState(:,me) = damageState(ph)%dotState(:,me) * zeta & damageState(ph)%dotState(:,en) = damageState(ph)%dotState(:,en) * zeta &
+ source_dotState(1:size_so,1)* (1.0_pReal - zeta) + source_dotState(1:size_so,1)* (1.0_pReal - zeta)
r(1:size_so) = damageState(ph)%state (1:size_so,me) & r(1:size_so) = damageState(ph)%state (1:size_so,en) &
- damageState(ph)%subState0(1:size_so,me) & - damageState(ph)%State0 (1:size_so,en) &
- damageState(ph)%dotState (1:size_so,me) * dt - damageState(ph)%dotState(1:size_so,en) * Delta_t
damageState(ph)%state(1:size_so,me) = damageState(ph)%state(1:size_so,me) - r(1:size_so) damageState(ph)%state(1:size_so,en) = damageState(ph)%state(1:size_so,en) - r(1:size_so)
converged_ = converged_ .and. converged(r(1:size_so), & converged_ = converged_ .and. converged(r(1:size_so), &
damageState(ph)%state(1:size_so,me), & damageState(ph)%state(1:size_so,en), &
damageState(ph)%atol(1:size_so)) damageState(ph)%atol(1:size_so))
if(converged_) then if(converged_) then
broken = phase_damage_deltaState(mechanical_F_e(ph,me),ph,me) broken = phase_damage_deltaState(mechanical_F_e(ph,en),ph,en)
exit iteration exit iteration
endif endif
@ -300,11 +338,11 @@ end subroutine damage_results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the rate of change of microstructure !> @brief contains the constitutive equation for calculating the rate of change of microstructure
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function phase_damage_collectDotState(ph,me) result(broken) function phase_damage_collectDotState(ph,en) result(broken)
integer, intent(in) :: & integer, intent(in) :: &
ph, & ph, &
me !< counter in source loop en !< counter in source loop
logical :: broken logical :: broken
@ -315,11 +353,11 @@ function phase_damage_collectDotState(ph,me) result(broken)
sourceType: select case (phase_damage(ph)) sourceType: select case (phase_damage(ph))
case (DAMAGE_ANISOBRITTLE_ID) sourceType case (DAMAGE_ANISOBRITTLE_ID) sourceType
call anisobrittle_dotState(mechanical_S(ph,me), ph,me) ! correct stress? call anisobrittle_dotState(mechanical_S(ph,en), ph,en) ! correct stress?
end select sourceType end select sourceType
broken = broken .or. any(IEEE_is_NaN(damageState(ph)%dotState(:,me))) broken = broken .or. any(IEEE_is_NaN(damageState(ph)%dotState(:,en)))
endif endif
@ -358,11 +396,11 @@ end function phase_K_phi
!> @brief for constitutive models having an instantaneous change of state !> @brief for constitutive models having an instantaneous change of state
!> will return false if delta state is not needed/supported by the constitutive model !> will return false if delta state is not needed/supported by the constitutive model
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function phase_damage_deltaState(Fe, ph, me) result(broken) function phase_damage_deltaState(Fe, ph, en) result(broken)
integer, intent(in) :: & integer, intent(in) :: &
ph, & ph, &
me en
real(pReal), intent(in), dimension(3,3) :: & real(pReal), intent(in), dimension(3,3) :: &
Fe !< elastic deformation gradient Fe !< elastic deformation gradient
integer :: & integer :: &
@ -379,13 +417,13 @@ function phase_damage_deltaState(Fe, ph, me) result(broken)
sourceType: select case (phase_damage(ph)) sourceType: select case (phase_damage(ph))
case (DAMAGE_ISOBRITTLE_ID) sourceType case (DAMAGE_ISOBRITTLE_ID) sourceType
call isobrittle_deltaState(phase_homogenizedC(ph,me), Fe, ph,me) call isobrittle_deltaState(phase_homogenizedC(ph,en), Fe, ph,en)
broken = any(IEEE_is_NaN(damageState(ph)%deltaState(:,me))) broken = any(IEEE_is_NaN(damageState(ph)%deltaState(:,en)))
if(.not. broken) then if(.not. broken) then
myOffset = damageState(ph)%offsetDeltaState myOffset = damageState(ph)%offsetDeltaState
mySize = damageState(ph)%sizeDeltaState mySize = damageState(ph)%sizeDeltaState
damageState(ph)%state(myOffset + 1: myOffset + mySize,me) = & damageState(ph)%state(myOffset + 1: myOffset + mySize,en) = &
damageState(ph)%state(myOffset + 1: myOffset + mySize,me) + damageState(ph)%deltaState(1:mySize,me) damageState(ph)%state(myOffset + 1: myOffset + mySize,en) + damageState(ph)%deltaState(1:mySize,en)
endif endif
end select sourceType end select sourceType
@ -436,13 +474,13 @@ module subroutine phase_set_phi(phi,co,ce)
end subroutine phase_set_phi end subroutine phase_set_phi
module function damage_phi(ph,me) result(phi) module function damage_phi(ph,en) result(phi)
integer, intent(in) :: ph, me integer, intent(in) :: ph, en
real(pReal) :: phi real(pReal) :: phi
phi = current(ph)%phi(me) phi = current(ph)%phi(en)
end function damage_phi end function damage_phi

36
src/phase_damage_anisobrittle.f90
View File

@ -40,7 +40,7 @@ module function anisobrittle_init() result(mySources)
phase, & phase, &
sources, & sources, &
src src
integer :: Nmembers,p integer :: Nmembers,ph
integer, dimension(:), allocatable :: N_cl integer, dimension(:), allocatable :: N_cl
character(len=pStringLen) :: extmsg = '' character(len=pStringLen) :: extmsg = ''
@ -56,12 +56,12 @@ module function anisobrittle_init() result(mySources)
allocate(param(phases%length)) allocate(param(phases%length))
do p = 1, phases%length do ph = 1, phases%length
if(mySources(p)) then if(mySources(ph)) then
phase => phases%get(p) phase => phases%get(ph)
sources => phase%get('damage') sources => phase%get('damage')
associate(prm => param(p)) associate(prm => param(ph))
src => sources%get(1) src => sources%get(1)
N_cl = src%get_as1dInt('N_cl',defaultVal=emptyIntArray) N_cl = src%get_as1dInt('N_cl',defaultVal=emptyIntArray)
@ -92,15 +92,13 @@ module function anisobrittle_init() result(mySources)
if (any(prm%g_crit < 0.0_pReal)) extmsg = trim(extmsg)//' g_crit' if (any(prm%g_crit < 0.0_pReal)) extmsg = trim(extmsg)//' g_crit'
if (any(prm%s_crit < 0.0_pReal)) extmsg = trim(extmsg)//' s_crit' if (any(prm%s_crit < 0.0_pReal)) extmsg = trim(extmsg)//' s_crit'
Nmembers = count(material_phaseID==p) Nmembers = count(material_phaseID==ph)
call phase_allocateState(damageState(p),Nmembers,1,1,0) call phase_allocateState(damageState(ph),Nmembers,1,1,0)
damageState(p)%atol = src%get_asFloat('atol_phi',defaultVal=1.0e-9_pReal) damageState(ph)%atol = src%get_asFloat('atol_phi',defaultVal=1.0e-9_pReal)
if(any(damageState(p)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' atol_phi' if(any(damageState(ph)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' atol_phi'
end associate end associate
!--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(damage_anisoBrittle)') if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(damage_anisoBrittle)')
endif endif
@ -112,10 +110,10 @@ end function anisobrittle_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief !> @brief
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine anisobrittle_dotState(S, ph,me) module subroutine anisobrittle_dotState(S, ph,en)
integer, intent(in) :: & integer, intent(in) :: &
ph,me ph,en
real(pReal), intent(in), dimension(3,3) :: & real(pReal), intent(in), dimension(3,3) :: &
S S
@ -126,15 +124,15 @@ module subroutine anisobrittle_dotState(S, ph,me)
associate(prm => param(ph)) associate(prm => param(ph))
damageState(ph)%dotState(1,me) = 0.0_pReal damageState(ph)%dotState(1,en) = 0.0_pReal
do i = 1, prm%sum_N_cl do i = 1, prm%sum_N_cl
traction_d = math_tensordot(S,prm%cleavage_systems(1:3,1:3,1,i)) traction_d = math_tensordot(S,prm%cleavage_systems(1:3,1:3,1,i))
traction_t = math_tensordot(S,prm%cleavage_systems(1:3,1:3,2,i)) traction_t = math_tensordot(S,prm%cleavage_systems(1:3,1:3,2,i))
traction_n = math_tensordot(S,prm%cleavage_systems(1:3,1:3,3,i)) traction_n = math_tensordot(S,prm%cleavage_systems(1:3,1:3,3,i))
traction_crit = prm%g_crit(i)*damage_phi(ph,me)**2.0_pReal traction_crit = prm%g_crit(i)*damage_phi(ph,en)**2.0_pReal
damageState(ph)%dotState(1,me) = damageState(ph)%dotState(1,me) & damageState(ph)%dotState(1,en) = damageState(ph)%dotState(1,en) &
+ prm%dot_o / prm%s_crit(i) & + prm%dot_o / prm%s_crit(i) &
* ((max(0.0_pReal, abs(traction_d) - traction_crit)/traction_crit)**prm%q + & * ((max(0.0_pReal, abs(traction_d) - traction_crit)/traction_crit)**prm%q + &
(max(0.0_pReal, abs(traction_t) - traction_crit)/traction_crit)**prm%q + & (max(0.0_pReal, abs(traction_t) - traction_crit)/traction_crit)**prm%q + &
@ -171,10 +169,10 @@ end subroutine anisobrittle_results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the velocity gradient !> @brief contains the constitutive equation for calculating the velocity gradient
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine damage_anisobrittle_LiAndItsTangent(Ld, dLd_dTstar, S, ph,me) module subroutine damage_anisobrittle_LiAndItsTangent(Ld, dLd_dTstar, S, ph,en)
integer, intent(in) :: & integer, intent(in) :: &
ph,me ph,en
real(pReal), intent(in), dimension(3,3) :: & real(pReal), intent(in), dimension(3,3) :: &
S S
real(pReal), intent(out), dimension(3,3) :: & real(pReal), intent(out), dimension(3,3) :: &
@ -193,7 +191,7 @@ module subroutine damage_anisobrittle_LiAndItsTangent(Ld, dLd_dTstar, S, ph,me)
dLd_dTstar = 0.0_pReal dLd_dTstar = 0.0_pReal
associate(prm => param(ph)) associate(prm => param(ph))
do i = 1,prm%sum_N_cl do i = 1,prm%sum_N_cl
traction_crit = prm%g_crit(i)*damage_phi(ph,me)**2.0_pReal traction_crit = prm%g_crit(i)*damage_phi(ph,en)**2.0_pReal
traction_d = math_tensordot(S,prm%cleavage_systems(1:3,1:3,1,i)) traction_d = math_tensordot(S,prm%cleavage_systems(1:3,1:3,1,i))
if (abs(traction_d) > traction_crit + tol_math_check) then if (abs(traction_d) > traction_crit + tol_math_check) then

47
src/phase_damage_isobrittle.f90
View File

@ -13,7 +13,15 @@ submodule(phase:damage) isobrittle
output output
end type tParameters end type tParameters
type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters (len Ninstances) type :: tIsobrittleState
real(pReal), pointer, dimension(:) :: & !< vectors along Nmembers
r_W !< ratio between actual and critical strain energy density
end type tIsobrittleState
type(tParameters), allocatable, dimension(:) :: param !< containers of constitutive parameters (len Ninstances)
type(tIsobrittleState), allocatable, dimension(:) :: &
deltaState, &
state
contains contains
@ -44,13 +52,15 @@ module function isobrittle_init() result(mySources)
phases => config_material%get('phase') phases => config_material%get('phase')
allocate(param(phases%length)) allocate(param(phases%length))
allocate(state(phases%length))
allocate(deltaState(phases%length))
do ph = 1, phases%length do ph = 1, phases%length
if(mySources(ph)) then if(mySources(ph)) then
phase => phases%get(ph) phase => phases%get(ph)
sources => phase%get('damage') sources => phase%get('damage')
associate(prm => param(ph)) associate(prm => param(ph), dlt => deltaState(ph), stt => state(ph))
src => sources%get(1) src => sources%get(1)
prm%W_crit = src%get_asFloat('W_crit') prm%W_crit = src%get_asFloat('W_crit')
@ -69,10 +79,12 @@ module function isobrittle_init() result(mySources)
damageState(ph)%atol = src%get_asFloat('atol_phi',defaultVal=1.0e-9_pReal) damageState(ph)%atol = src%get_asFloat('atol_phi',defaultVal=1.0e-9_pReal)
if(any(damageState(ph)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' atol_phi' if(any(damageState(ph)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' atol_phi'
stt%r_W => damageState(ph)%state(1,:)
dlt%r_W => damageState(ph)%deltaState(1,:)
end associate end associate
!--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(damage_isobrittle)') if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(damage_isobrittle)')
endif endif
@ -85,29 +97,27 @@ end function isobrittle_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates derived quantities from state !> @brief calculates derived quantities from state
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine isobrittle_deltaState(C, Fe, ph,me) module subroutine isobrittle_deltaState(C, Fe, ph,en)
integer, intent(in) :: ph,me integer, intent(in) :: ph,en
real(pReal), intent(in), dimension(3,3) :: & real(pReal), intent(in), dimension(3,3) :: &
Fe Fe
real(pReal), intent(in), dimension(6,6) :: & real(pReal), intent(in), dimension(6,6) :: &
C C
real(pReal), dimension(6) :: & real(pReal), dimension(6) :: &
strain epsilon
real(pReal) :: & real(pReal) :: &
strainenergy r_W
strain = 0.5_pReal*math_sym33to6(matmul(transpose(Fe),Fe)-math_I3) epsilon = 0.5_pReal*math_sym33to6(matmul(transpose(Fe),Fe)-math_I3)
associate(prm => param(ph)) associate(prm => param(ph), stt => state(ph), dlt => deltaState(ph))
strainenergy = 2.0_pReal*sum(strain*matmul(C,strain))/prm%W_crit
! ToDo: check strainenergy = 2.0_pReal*dot_product(strain,matmul(C,strain))/prm%W_crit r_W = 2.0_pReal*dot_product(epsilon,matmul(C,epsilon))/prm%W_crit
dlt%r_W(en) = merge(r_W - stt%r_W(en), 0.0_pReal, r_W > stt%r_W(en))
damageState(ph)%deltaState(1,me) = merge(strainenergy - damageState(ph)%state(1,me), &
damageState(ph)%subState0(1,me) - damageState(ph)%state(1,me), &
strainenergy > damageState(ph)%subState0(1,me))
end associate end associate
end subroutine isobrittle_deltaState end subroutine isobrittle_deltaState
@ -124,14 +134,15 @@ module subroutine isobrittle_results(phase,group)
integer :: o integer :: o
associate(prm => param(phase), & associate(prm => param(phase), stt => damageState(phase)%state) ! point to state and output r_W (is scalar, not 1D vector)
stt => damageState(phase)%state)
outputsLoop: do o = 1,size(prm%output) outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o))) select case(trim(prm%output(o)))
case ('f_phi') case ('f_phi')
call results_writeDataset(stt,group,trim(prm%output(o)),'driving force','J/m³') call results_writeDataset(stt,group,trim(prm%output(o)),'driving force','J/m³') ! Wrong, this is dimensionless
end select end select
enddo outputsLoop enddo outputsLoop
end associate end associate
end subroutine isobrittle_results end subroutine isobrittle_results

43
src/phase_mechanical.f90
View File

@ -44,9 +44,9 @@ submodule(phase) mechanical
interface interface
module subroutine eigendeformation_init(phases) module subroutine eigen_init(phases)
class(tNode), pointer :: phases class(tNode), pointer :: phases
end subroutine eigendeformation_init end subroutine eigen_init
module subroutine elastic_init(phases) module subroutine elastic_init(phases)
class(tNode), pointer :: phases class(tNode), pointer :: phases
@ -197,8 +197,7 @@ module subroutine mechanical_init(materials,phases)
Nmembers Nmembers
class(tNode), pointer :: & class(tNode), pointer :: &
num_crystallite, & num_crystallite, &
material, &
constituents, &
phase, & phase, &
mech mech
@ -303,7 +302,7 @@ module subroutine mechanical_init(materials,phases)
end select end select
call eigendeformation_init(phases) call eigen_init(phases)
end subroutine mechanical_init end subroutine mechanical_init
@ -977,9 +976,9 @@ end subroutine mechanical_forward
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculate stress (P) !> @brief calculate stress (P)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module function crystallite_stress(dt,co,ip,el) result(converged_) module function phase_mechanical_constitutive(Delta_t,co,ip,el) result(converged_)
real(pReal), intent(in) :: dt real(pReal), intent(in) :: Delta_t
integer, intent(in) :: & integer, intent(in) :: &
co, & co, &
ip, & ip, &
@ -1009,16 +1008,12 @@ module function crystallite_stress(dt,co,ip,el) result(converged_)
subLi0 = phase_mechanical_Li0(ph)%data(1:3,1:3,en) subLi0 = phase_mechanical_Li0(ph)%data(1:3,1:3,en)
subLp0 = phase_mechanical_Lp0(ph)%data(1:3,1:3,en) subLp0 = phase_mechanical_Lp0(ph)%data(1:3,1:3,en)
subState0 = plasticState(ph)%State0(:,en) subState0 = plasticState(ph)%State0(:,en)
if (damageState(ph)%sizeState > 0) &
damageState(ph)%subState0(:,en) = damageState(ph)%state0(:,en)
subFp0 = phase_mechanical_Fp0(ph)%data(1:3,1:3,en) subFp0 = phase_mechanical_Fp0(ph)%data(1:3,1:3,en)
subFi0 = phase_mechanical_Fi0(ph)%data(1:3,1:3,en) subFi0 = phase_mechanical_Fi0(ph)%data(1:3,1:3,en)
subF0 = phase_mechanical_F0(ph)%data(1:3,1:3,en) subF0 = phase_mechanical_F0(ph)%data(1:3,1:3,en)
subFrac = 0.0_pReal subFrac = 0.0_pReal
subStep = 1.0_pReal/num%subStepSizeCryst
todo = .true. todo = .true.
subStep = 1.0_pReal/num%subStepSizeCryst
converged_ = .false. ! pretend failed step of 1/subStepSizeCryst converged_ = .false. ! pretend failed step of 1/subStepSizeCryst
todo = .true. todo = .true.
@ -1038,9 +1033,6 @@ module function crystallite_stress(dt,co,ip,el) result(converged_)
subFp0 = phase_mechanical_Fp(ph)%data(1:3,1:3,en) subFp0 = phase_mechanical_Fp(ph)%data(1:3,1:3,en)
subFi0 = phase_mechanical_Fi(ph)%data(1:3,1:3,en) subFi0 = phase_mechanical_Fi(ph)%data(1:3,1:3,en)
subState0 = plasticState(ph)%state(:,en) subState0 = plasticState(ph)%state(:,en)
if (damageState(ph)%sizeState > 0) &
damageState(ph)%subState0(:,en) = damageState(ph)%state(:,en)
endif endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! cut back (reduced time and restore) ! cut back (reduced time and restore)
@ -1054,9 +1046,6 @@ module function crystallite_stress(dt,co,ip,el) result(converged_)
phase_mechanical_Li(ph)%data(1:3,1:3,en) = subLi0 phase_mechanical_Li(ph)%data(1:3,1:3,en) = subLi0
endif endif
plasticState(ph)%state(:,en) = subState0 plasticState(ph)%state(:,en) = subState0
if (damageState(ph)%sizeState > 0) &
damageState(ph)%state(:,en) = damageState(ph)%subState0(:,en)
todo = subStep > num%subStepMinCryst ! still on track or already done (beyond repair) todo = subStep > num%subStepMinCryst ! still on track or already done (beyond repair)
endif endif
@ -1065,13 +1054,12 @@ module function crystallite_stress(dt,co,ip,el) result(converged_)
if (todo) then if (todo) then
subF = subF0 & subF = subF0 &
+ subStep * (phase_mechanical_F(ph)%data(1:3,1:3,en) - phase_mechanical_F0(ph)%data(1:3,1:3,en)) + subStep * (phase_mechanical_F(ph)%data(1:3,1:3,en) - phase_mechanical_F0(ph)%data(1:3,1:3,en))
converged_ = .not. integrateState(subF0,subF,subFp0,subFi0,subState0(1:sizeDotState),subStep * dt,co,ip,el) converged_ = .not. integrateState(subF0,subF,subFp0,subFi0,subState0(1:sizeDotState),subStep * Delta_t,co,ip,el)
converged_ = converged_ .and. .not. integrateDamageState(subStep * dt,co,(el-1)*discretization_nIPs + ip)
endif endif
enddo cutbackLooping enddo cutbackLooping
end function crystallite_stress end function phase_mechanical_constitutive
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -1104,12 +1092,13 @@ module subroutine mechanical_restore(ce,includeL)
end subroutine mechanical_restore end subroutine mechanical_restore
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Calculate tangent (dPdF). !> @brief Calculate tangent (dPdF).
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module function phase_mechanical_dPdF(dt,co,ce) result(dPdF) module function phase_mechanical_dPdF(Delta_t,co,ce) result(dPdF)
real(pReal), intent(in) :: dt real(pReal), intent(in) :: Delta_t
integer, intent(in) :: & integer, intent(in) :: &
co, & !< counter in constituent loop co, & !< counter in constituent loop
ce ce
@ -1159,11 +1148,11 @@ module function phase_mechanical_dPdF(dt,co,ce) result(dPdF)
lhs_3333 = 0.0_pReal; rhs_3333 = 0.0_pReal lhs_3333 = 0.0_pReal; rhs_3333 = 0.0_pReal
do o=1,3; do p=1,3 do o=1,3; do p=1,3
lhs_3333(1:3,1:3,o,p) = lhs_3333(1:3,1:3,o,p) & lhs_3333(1:3,1:3,o,p) = lhs_3333(1:3,1:3,o,p) &
+ matmul(invSubFi0,dLidFi(1:3,1:3,o,p)) * dt + matmul(invSubFi0,dLidFi(1:3,1:3,o,p)) * Delta_t
lhs_3333(1:3,o,1:3,p) = lhs_3333(1:3,o,1:3,p) & lhs_3333(1:3,o,1:3,p) = lhs_3333(1:3,o,1:3,p) &
+ invFi*invFi(p,o) + invFi*invFi(p,o)
rhs_3333(1:3,1:3,o,p) = rhs_3333(1:3,1:3,o,p) & rhs_3333(1:3,1:3,o,p) = rhs_3333(1:3,1:3,o,p) &
- matmul(invSubFi0,dLidS(1:3,1:3,o,p)) * dt - matmul(invSubFi0,dLidS(1:3,1:3,o,p)) * Delta_t
enddo; enddo enddo; enddo
call math_invert(temp_99,error,math_3333to99(lhs_3333)) call math_invert(temp_99,error,math_3333to99(lhs_3333))
if (error) then if (error) then
@ -1192,7 +1181,7 @@ module function phase_mechanical_dPdF(dt,co,ce) result(dPdF)
temp_3333(1:3,1:3,p,o) = matmul(matmul(temp_33_2,dLpdS(1:3,1:3,p,o)), invFi) & temp_3333(1:3,1:3,p,o) = matmul(matmul(temp_33_2,dLpdS(1:3,1:3,p,o)), invFi) &
+ matmul(temp_33_3,dLidS(1:3,1:3,p,o)) + matmul(temp_33_3,dLidS(1:3,1:3,p,o))
enddo; enddo enddo; enddo
lhs_3333 = math_mul3333xx3333(dSdFe,temp_3333) * dt & lhs_3333 = math_mul3333xx3333(dSdFe,temp_3333) * Delta_t &
+ math_mul3333xx3333(dSdFi,dFidS) + math_mul3333xx3333(dSdFi,dFidS)
call math_invert(temp_99,error,math_eye(9)+math_3333to99(lhs_3333)) call math_invert(temp_99,error,math_eye(9)+math_3333to99(lhs_3333))
@ -1208,7 +1197,7 @@ module function phase_mechanical_dPdF(dt,co,ce) result(dPdF)
! calculate dFpinvdF ! calculate dFpinvdF
temp_3333 = math_mul3333xx3333(dLpdS,dSdF) temp_3333 = math_mul3333xx3333(dLpdS,dSdF)
do o=1,3; do p=1,3 do o=1,3; do p=1,3
dFpinvdF(1:3,1:3,p,o) = - matmul(invSubFp0, matmul(temp_3333(1:3,1:3,p,o),invFi)) * dt dFpinvdF(1:3,1:3,p,o) = - matmul(invSubFp0, matmul(temp_3333(1:3,1:3,p,o),invFi)) * Delta_t
enddo; enddo enddo; enddo
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

4
src/phase_mechanical_eigen.f90
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@ -32,7 +32,7 @@ submodule(phase:mechanical) eigen
contains contains
module subroutine eigendeformation_init(phases) module subroutine eigen_init(phases)
class(tNode), pointer :: & class(tNode), pointer :: &
phases phases
@ -68,7 +68,7 @@ module subroutine eigendeformation_init(phases)
where(damage_anisobrittle_init()) model_damage = KINEMATICS_cleavage_opening_ID where(damage_anisobrittle_init()) model_damage = KINEMATICS_cleavage_opening_ID
end subroutine eigendeformation_init end subroutine eigen_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

4
src/phase_thermal.f90
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@ -216,7 +216,7 @@ module function phase_K_T(co,ce) result(K)
end function phase_K_T end function phase_K_T
module function thermal_stress(Delta_t,ph,en) result(converged_) ! ?? why is this called "stress" when it seems closer to "updateState" ?? module function phase_thermal_constitutive(Delta_t,ph,en) result(converged_)
real(pReal), intent(in) :: Delta_t real(pReal), intent(in) :: Delta_t
integer, intent(in) :: ph, en integer, intent(in) :: ph, en
@ -225,7 +225,7 @@ module function thermal_stress(Delta_t,ph,en) result(converged_) ! ??
converged_ = .not. integrateThermalState(Delta_t,ph,en) converged_ = .not. integrateThermalState(Delta_t,ph,en)
end function thermal_stress end function phase_thermal_constitutive
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

17
src/prec.f90
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@ -33,16 +33,14 @@ module prec
sizeDotState = 0, & !< size of dot state, i.e. state(1:sizeDot) follows time evolution by dotState rates sizeDotState = 0, & !< size of dot state, i.e. state(1:sizeDot) follows time evolution by dotState rates
offsetDeltaState = 0, & !< index offset of delta state offsetDeltaState = 0, & !< index offset of delta state
sizeDeltaState = 0 !< size of delta state, i.e. state(offset+1:offset+sizeDelta) follows time evolution by deltaState increments sizeDeltaState = 0 !< size of delta state, i.e. state(offset+1:offset+sizeDelta) follows time evolution by deltaState increments
! http://stackoverflow.com/questions/3948210 real(pReal), allocatable, dimension(:) :: &
real(pReal), pointer, dimension(:), contiguous :: &
atol atol
real(pReal), pointer, dimension(:,:), contiguous :: & ! a pointer is needed here because we might point to state/doState. However, they will never point to something, but are rather allocated and, hence, contiguous ! http://stackoverflow.com/questions/3948210
real(pReal), pointer, dimension(:,:), contiguous :: & !< is basically an allocatable+target, but in a type needs to be pointer
state0, & state0, &
state, & !< state state, & !< state
dotState, & !< rate of state change dotState, & !< rate of state change
deltaState !< increment of state change deltaState !< increment of state change
real(pReal), allocatable, dimension(:,:) :: &
subState0
end type end type
type, extends(tState) :: tPlasticState type, extends(tState) :: tPlasticState
@ -56,12 +54,9 @@ module prec
real(pReal), private, parameter :: PREAL_EPSILON = epsilon(0.0_pReal) !< minimum positive number such that 1.0 + EPSILON /= 1.0. real(pReal), private, parameter :: PREAL_EPSILON = epsilon(0.0_pReal) !< minimum positive number such that 1.0 + EPSILON /= 1.0.
real(pReal), private, parameter :: PREAL_MIN = tiny(0.0_pReal) !< smallest normalized floating point number real(pReal), private, parameter :: PREAL_MIN = tiny(0.0_pReal) !< smallest normalized floating point number
integer, dimension(0), parameter :: & integer, dimension(0), parameter :: emptyIntArray = [integer::]
emptyIntArray = [integer::] real(pReal), dimension(0), parameter :: emptyRealArray = [real(pReal)::]
real(pReal), dimension(0), parameter :: & character(len=pStringLen), dimension(0), parameter :: emptyStringArray = [character(len=pStringLen)::]
emptyRealArray = [real(pReal)::]
character(len=pStringLen), dimension(0), parameter :: &
emptyStringArray = [character(len=pStringLen)::]
private :: & private :: &
selfTest selfTest

2
src/rotations.f90
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@ -1131,7 +1131,7 @@ pure function ho2ax(ho) result(ax)
do i=3,16 do i=3,16
hm = hm*hmag_squared hm = hm*hmag_squared
s = s + tfit(i) * hm s = s + tfit(i) * hm
end do enddo
ax = [ho/sqrt(hmag_squared), 2.0_pReal*acos(s)] ax = [ho/sqrt(hmag_squared), 2.0_pReal*acos(s)]
end if end if