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DAMASK_EICMD
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Merge branch 'development' into 38-introduce-rudimentary-PETSc-based-FEM-solver

This commit is contained in:
Martin Diehl 2018-09-15 08:38:30 +02:00
parent 9b7552aa19 42fdf47027
commit 5e33900664
39 changed files with 1584 additions and 26483 deletions
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20
.gitlab-ci.yml
View File

@ -29,6 +29,11 @@ before_script:
done
- source $DAMASKROOT/env/DAMASK.sh
- cd $DAMASKROOT/PRIVATE/testing
- echo Job start:" $(date)"
###################################################################################################
after_script:
- echo Job end:" $(date)"
###################################################################################################
variables:
@ -47,6 +52,7 @@ variables:
# ===============================================================================================
# ++++++++++++ Compiler ++++++++++++++++++++++++++++++++++++++++++++++
IntelCompiler16_0: "Compiler/Intel/16.0 Libraries/IMKL/2016"
IntelCompiler16_4: "Compiler/Intel/16.4 Libraries/IMKL/2016-4"
IntelCompiler17_0: "Compiler/Intel/17.0 Libraries/IMKL/2017"
IntelCompiler18_1: "Compiler/Intel/18.1 Libraries/IMKL/2018"
GNUCompiler7_3: "Compiler/GNU/7.3"
@ -347,7 +353,7 @@ TextureComponents:
Marc_compileIfort2017:
stage: compileMarc2017
script:
- module load $IntelCompiler17_0 $MSC2017
- module load $IntelCompiler16_4 $MSC2017
- Marc_compileIfort/test.py -m 2017
except:
- master
@ -357,7 +363,7 @@ Marc_compileIfort2017:
Hex_elastic:
stage: marc
script:
- module load $IntelCompiler17_0 $MSC
- module load $IntelCompiler16_4 $MSC
- Hex_elastic/test.py
except:
- master
@ -366,7 +372,7 @@ Hex_elastic:
CubicFCC_elastic:
stage: marc
script:
- module load $IntelCompiler17_0 $MSC
- module load $IntelCompiler16_4 $MSC
- CubicFCC_elastic/test.py
except:
- master
@ -375,7 +381,7 @@ CubicFCC_elastic:
CubicBCC_elastic:
stage: marc
script:
- module load $IntelCompiler17_0 $MSC
- module load $IntelCompiler16_4 $MSC
- CubicBCC_elastic/test.py
except:
- master
@ -384,7 +390,7 @@ CubicBCC_elastic:
J2_plasticBehavior:
stage: marc
script:
- module load $IntelCompiler17_0 $MSC
- module load $IntelCompiler16_4 $MSC
- J2_plasticBehavior/test.py
except:
- master
@ -394,7 +400,7 @@ J2_plasticBehavior:
Abaqus_compile2017:
stage: compileAbaqus2017
script:
- module load $IntelCompiler16_0 $Abaqus2017
- module load $IntelCompiler16_4 $Abaqus2017
- Abaqus_compileIfort/test.py -a 2017
except:
- master
@ -410,7 +416,7 @@ SpectralExample:
AbaqusExample:
stage: example
script:
- module load $IntelCompiler16_0 $Abaqus
- module load $IntelCompiler16_4 $Abaqus
- Abaqus_example/test.py
only:
- development

2
PRIVATE

@ -1 +1 @@
Subproject commit a764ade044735df35fac93a5204446291ee29abc
Subproject commit 2c40bb79f9a57d2178eb7be0e533fd5104f9f87e

2
VERSION
View File

@ -1 +1 @@
v2.0.2-474-g38fd517c
v2.0.2-540-gce6e6679

2
examples/ConfigFiles/Phase_Phenopowerlaw_BCC-Martensite.config
View File

@ -18,5 +18,5 @@ tau0_slip 405.8e6 456.7e6 # per family
tausat_slip 872.9e6 971.2e6 # per family
h0_slipslip 563.0e9
interaction_slipslip 1 1 1.4 1.4 1.4 1.4
w0_slip 2.0
a_slip 2.0
(output) totalshear

52
installation/mods_MarcMentat/2016/Marc_tools/comp_damask
View File

@ -1,52 +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"
$DFORTRAN $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

52
installation/mods_MarcMentat/2016/Marc_tools/comp_damask_h
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@ -1,52 +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"
$DFORTHIGH $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

52
installation/mods_MarcMentat/2016/Marc_tools/comp_damask_l
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@ -1,52 +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"
$DFORTLOW $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

4112
installation/mods_MarcMentat/2016/Marc_tools/run_damask
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File diff suppressed because it is too large Load Diff

4112
installation/mods_MarcMentat/2016/Marc_tools/run_damask_h
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4112
installation/mods_MarcMentat/2016/Marc_tools/run_damask_l
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8
installation/mods_MarcMentat/2016/Mentat_bin/kill7
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@ -1,8 +0,0 @@
#!/bin/sh
if [ "$1" = "" ]; then
echo "usage: $0 job_name"
exit 1
fi
echo STOP > $1.cnt

8
installation/mods_MarcMentat/2016/Mentat_bin/kill8
View File

@ -1,8 +0,0 @@
#!/bin/sh
if [ "$1" = "" ]; then
echo "usage: $0 job_name"
exit 1
fi
echo STOP > $1.cnt

8
installation/mods_MarcMentat/2016/Mentat_bin/kill9
View File

@ -1,8 +0,0 @@
#!/bin/sh
if [ "$1" = "" ]; then
echo "usage: $0 job_name"
exit 1
fi
echo STOP > $1.cnt

187
installation/mods_MarcMentat/2016/Mentat_bin/submit7
View File

@ -1,187 +0,0 @@
#!/bin/sh
#
# The exit status of this script is read by Mentat.
# Normal exit status is 0.
#
DIR=%INSTALLDIR%/marc%VERSION%
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
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
assem_recov_nthread=$9
shift 9 # cannot use $10, $11, ...
nthread=$1
nsolver=$2
mode=$3
gpu=$4
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$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_h" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$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

187
installation/mods_MarcMentat/2016/Mentat_bin/submit8
View File

@ -1,187 +0,0 @@
#!/bin/sh
#
# The exit status of this script is read by Mentat.
# Normal exit status is 0.
#
DIR=%INSTALLDIR%/marc%VERSION%
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
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
assem_recov_nthread=$9
shift 9 # cannot use $10, $11, ...
nthread=$1
nsolver=$2
mode=$3
gpu=$4
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$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" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$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

187
installation/mods_MarcMentat/2016/Mentat_bin/submit9
View File

@ -1,187 +0,0 @@
#!/bin/sh
#
# The exit status of this script is read by Mentat.
# Normal exit status is 0.
#
DIR=%INSTALLDIR%/marc%VERSION%
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
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
assem_recov_nthread=$9
shift 9 # cannot use $10, $11, ...
nthread=$1
nsolver=$2
mode=$3
gpu=$4
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$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_l" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$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

52
installation/mods_MarcMentat/2017/Marc_tools/comp_damask
View File

@ -1,52 +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"
$DFORTRAN $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

52
installation/mods_MarcMentat/2017/Marc_tools/comp_damask_h
View File

@ -1,52 +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"
$DFORTHIGH $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

52
installation/mods_MarcMentat/2017/Marc_tools/comp_damask_l
View File

@ -1,52 +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"
$DFORTLOW $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

4122
installation/mods_MarcMentat/2017/Marc_tools/run_damask
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4122
installation/mods_MarcMentat/2017/Marc_tools/run_damask_h
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File diff suppressed because it is too large Load Diff

4122
installation/mods_MarcMentat/2017/Marc_tools/run_damask_l
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File diff suppressed because it is too large Load Diff

8
installation/mods_MarcMentat/2017/Mentat_bin/kill7
View File

@ -1,8 +0,0 @@
#!/bin/sh
if [ "$1" = "" ]; then
echo "usage: $0 job_name"
exit 1
fi
echo STOP > $1.cnt

8
installation/mods_MarcMentat/2017/Mentat_bin/kill8
View File

@ -1,8 +0,0 @@
#!/bin/sh
if [ "$1" = "" ]; then
echo "usage: $0 job_name"
exit 1
fi
echo STOP > $1.cnt

8
installation/mods_MarcMentat/2017/Mentat_bin/kill9
View File

@ -1,8 +0,0 @@
#!/bin/sh
if [ "$1" = "" ]; then
echo "usage: $0 job_name"
exit 1
fi
echo STOP > $1.cnt

187
installation/mods_MarcMentat/2017/Mentat_bin/submit7
View File

@ -1,187 +0,0 @@
#!/bin/sh
#
# The exit status of this script is read by Mentat.
# Normal exit status is 0.
#
DIR=%INSTALLDIR%/marc%VERSION%
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
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
assem_recov_nthread=$9
shift 9 # cannot use $10, $11, ...
nthread=$1
nsolver=$2
mode=$3
gpu=$4
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$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_h" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$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

187
installation/mods_MarcMentat/2017/Mentat_bin/submit8
View File

@ -1,187 +0,0 @@
#!/bin/sh
#
# The exit status of this script is read by Mentat.
# Normal exit status is 0.
#
DIR=%INSTALLDIR%/marc%VERSION%
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
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
assem_recov_nthread=$9
shift 9 # cannot use $10, $11, ...
nthread=$1
nsolver=$2
mode=$3
gpu=$4
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$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" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$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

187
installation/mods_MarcMentat/2017/Mentat_bin/submit9
View File

@ -1,187 +0,0 @@
#!/bin/sh
#
# The exit status of this script is read by Mentat.
# Normal exit status is 0.
#
DIR=%INSTALLDIR%/marc%VERSION%
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
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
assem_recov_nthread=$9
shift 9 # cannot use $10, $11, ...
nthread=$1
nsolver=$2
mode=$3
gpu=$4
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$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_l" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$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

25
installation/mods_MarcMentat/apply_DAMASK_modifications.sh
View File

@ -58,15 +58,9 @@ echo "Editor: $EDITOR"
echo ''
echo 'adapting Marc tools...'
theDIR=$INSTALLDIR/marc$VERSION/tools
for filename in 'comp_damask' \
'comp_damask_l' \
'comp_damask_h' \
'comp_damask_mp' \
for filename in 'comp_damask_mp' \
'comp_damask_lmp' \
'comp_damask_hmp' \
'run_damask' \
'run_damask_l' \
'run_damask_h' \
'run_damask_mp' \
'run_damask_lmp' \
'run_damask_hmp' \
@ -85,15 +79,9 @@ for filename in 'edit_window' \
'submit4' \
'submit5' \
'submit6' \
'submit7' \
'submit8' \
'submit9' \
'kill4' \
'kill5' \
'kill6' \
'kill7' \
'kill8' \
'kill9'; do
'kill6'; do
cp $SCRIPTLOCATION/$VERSION/Mentat_bin/$filename $theDIR
echo $theDIR/$filename | xargs perl -pi -e "s:%INSTALLDIR%:${INSTALLDIR}:g"
echo $theDIR/$filename | xargs perl -pi -e "s:%VERSION%:${VERSION}:g"
@ -122,8 +110,8 @@ echo ''
echo 'setting file access rights...'
for filename in marc$VERSION/tools/run_damask* \
marc$VERSION/tools/comp_damask* \
mentat$VERSION/bin/submit{4..9} \
mentat$VERSION/bin/kill{4..9} ; do
mentat$VERSION/bin/submit{4..6} \
mentat$VERSION/bin/kill{4..6} ; do
chmod 755 $INSTALLDIR/${filename}
done
@ -142,10 +130,7 @@ if [ -d "$BIN_DIR" ]; then
echo 'creating symlinks ...'
echo''
theDIR=$INSTALLDIR/marc$VERSION/tools
for filename in 'run_damask' \
'run_damask_l' \
'run_damask_h' \
'run_damask_mp' \
for filename in 'run_damask_mp' \
'run_damask_lmp' \
'run_damask_hmp'; do
echo ${filename:4}$VERSION

12
installation/mods_MarcMentat/installation.txt
View File

@ -21,16 +21,10 @@ The structure of this directory should be (VERSION = 20XX or 20XX.Y)
./installation.txt this text
./apply_MPIE_modifications script file to apply modifications to the installation
./VERSION/Marc_tools/comp_user.original original file from installation
./VERSION/Marc_tools/comp_damask modified version using -O1 optimization
./VERSION/Marc_tools/comp_damask_l modified version using -O0 optimization
./VERSION/Marc_tools/comp_damask_h modified version using -O2 optimization
./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 modified version using -O1 optimization
./VERSION/Marc_tools/run_damask_l modified version using -O0 optimization
./VERSION/Marc_tools/run_damask_h modified version using -O2 optimization
./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
@ -42,14 +36,8 @@ The structure of this directory should be (VERSION = 20XX or 20XX.Y)
./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/submit7 modified version of original calling run_hmp_marc
./VERSION/Mentat_bin/submit8 modified version of original calling run_mp_marc
./VERSION/Mentat_bin/submit9 modified version of original calling run_lmp_marc
./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_bin/kill7 kill file for submit7, identical to original kill1
./VERSION/Mentat_bin/kill8 kill file for submit8, identical to original kill1
./VERSION/Mentat_bin/kill9 kill file for submit9, 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

6
src/CMakeLists.txt
View File

@ -25,8 +25,12 @@ add_library(IO OBJECT "IO.f90")
add_dependencies(IO DAMASK_INTERFACE)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:IO>)
add_library(HDF5_UTILITIES OBJECT "HDF5_utilities.f90")
add_dependencies(HDF5_UTILITIES IO)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:HDF5_UTILITIES>)
add_library(NUMERICS OBJECT "numerics.f90")
add_dependencies(NUMERICS IO)
add_dependencies(NUMERICS HDF5_UTILITIES)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:NUMERICS>)
add_library(DEBUG OBJECT "debug.f90")

325
src/DAMASK_spectral.f90
View File

@ -27,9 +27,7 @@ program DAMASK_spectral
getSolverJobName, &
interface_restartInc
use IO, only: &
IO_read, &
IO_isBlank, &
IO_open_file, &
IO_stringPos, &
IO_stringValue, &
IO_floatValue, &
@ -38,8 +36,7 @@ program DAMASK_spectral
IO_lc, &
IO_intOut, &
IO_warning, &
IO_timeStamp, &
IO_EOF
IO_timeStamp
use debug, only: &
debug_level, &
debug_spectral, &
@ -90,7 +87,6 @@ program DAMASK_spectral
! variables related to information from load case and geom file
real(pReal), dimension(9) :: temp_valueVector = 0.0_pReal !< temporarily from loadcase file when reading in tensors (initialize to 0.0)
logical, dimension(9) :: temp_maskVector = .false. !< temporarily from loadcase file when reading in tensors
integer(pInt), parameter :: FILEUNIT = 234_pInt !< file unit, DAMASK IO does not support newunit feature
integer(pInt), allocatable, dimension(:) :: chunkPos
integer(pInt) :: &
@ -118,7 +114,7 @@ program DAMASK_spectral
stagIterate
integer(pInt) :: &
i, j, k, l, field, &
errorID, &
errorID = 0_pInt, &
cutBackLevel = 0_pInt, & !< cut back level \f$ t = \frac{t_{inc}}{2^l} \f$
stepFraction = 0_pInt !< fraction of current time interval
integer(pInt) :: &
@ -127,7 +123,8 @@ program DAMASK_spectral
totalIncsCounter = 0_pInt, & !< total # of increments
convergedCounter = 0_pInt, & !< # of converged increments
notConvergedCounter = 0_pInt, & !< # of non-converged increments
resUnit = 0_pInt, & !< file unit for results writing
fileUnit = 0_pInt, & !< file unit for reading load case and writing results
myStat, &
statUnit = 0_pInt, & !< file unit for statistics output
lastRestartWritten = 0_pInt, & !< total increment # at which last restart information was written
stagIter
@ -136,6 +133,7 @@ program DAMASK_spectral
incInfo, & !< string parsed to solution with information about current load case
workingDir
type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases
type(tLoadCase) :: newLoadCase
type(tSolutionState), allocatable, dimension(:) :: solres
integer(MPI_OFFSET_KIND) :: fileOffset
integer(MPI_OFFSET_KIND), dimension(:), allocatable :: outputSize
@ -143,6 +141,12 @@ program DAMASK_spectral
integer(pInt), parameter :: maxRealOut = maxByteOut/pReal
integer(pLongInt), dimension(2) :: outputIndex
integer :: ierr
procedure(basic_init), pointer :: &
mech_init
procedure(basic_forward), pointer :: &
mech_forward
procedure(basic_solution), pointer :: &
mech_solution
external :: &
quit
@ -162,15 +166,40 @@ program DAMASK_spectral
if (any(thermal_type == THERMAL_conduction_ID )) nActiveFields = nActiveFields + 1
if (any(damage_type == DAMAGE_nonlocal_ID )) nActiveFields = nActiveFields + 1
allocate(solres(nActiveFields))
allocate(newLoadCase%ID(nActiveFields))
!--------------------------------------------------------------------------------------------------
! reading basic information from load case file and allocate data structure containing load cases
call IO_open_file(FILEUNIT,trim(loadCaseFile))
rewind(FILEUNIT)
! assign mechanics solver depending on selected type
select case (spectral_solver)
case (DAMASK_spectral_SolverBasic_label)
mech_init => basic_init
mech_forward => basic_forward
mech_solution => basic_solution
case (DAMASK_spectral_SolverPolarisation_label)
if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) &
call IO_warning(42_pInt, ext_msg='debug Divergence')
mech_init => polarisation_init
mech_forward => polarisation_forward
mech_solution => polarisation_solution
case default
call IO_error(error_ID = 891_pInt, ext_msg = trim(spectral_solver))
end select
!--------------------------------------------------------------------------------------------------
! reading information from load case file and to sanity checks
allocate (loadCases(0)) ! array of load cases
open(newunit=fileunit,iostat=myStat,file=trim(loadCaseFile),action='read')
if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=trim(loadCaseFile))
do
line = IO_read(FILEUNIT)
if (trim(line) == IO_EOF) exit
read(fileUnit, '(A)', iostat=myStat) line
if ( myStat /= 0_pInt) exit
if (IO_isBlank(line)) cycle ! skip empty lines
currentLoadCase = currentLoadCase + 1_pInt
chunkPos = IO_stringPos(line)
do i = 1_pInt, chunkPos(1) ! reading compulsory parameters for loadcase
select case (IO_lc(IO_stringValue(line,chunkPos,i)))
@ -181,83 +210,65 @@ program DAMASK_spectral
case('n','incs','increments','steps','logincs','logincrements','logsteps')
N_n = N_n + 1_pInt
end select
enddo ! count all identifiers to allocate memory and do sanity check
enddo
enddo
if ((N_def /= N_n) .or. (N_n /= N_t) .or. N_n < 1_pInt) & ! sanity check
call IO_error(error_ID=837_pInt,el=currentLoadCase,ext_msg = trim(loadCaseFile)) ! error message for incomplete loadcase
if ((N_def /= N_n) .or. (N_n /= N_t) .or. N_n < 1_pInt) & ! sanity check
call IO_error(error_ID=837_pInt,ext_msg = trim(loadCaseFile)) ! error message for incomplete loadcase
allocate (loadCases(N_n)) ! array of load cases
loadCases%stress%myType='stress'
do i = 1, size(loadCases)
allocate(loadCases(i)%ID(nActiveFields))
newLoadCase%stress%myType='stress'
field = 1
loadCases(i)%ID(field) = FIELD_MECH_ID ! mechanical active by default
newLoadCase%ID(field) = FIELD_MECH_ID ! mechanical active by default
thermalActive: if (any(thermal_type == THERMAL_conduction_ID)) then
field = field + 1
loadCases(i)%ID(field) = FIELD_THERMAL_ID
newLoadCase%ID(field) = FIELD_THERMAL_ID
endif thermalActive
damageActive: if (any(damage_type == DAMAGE_nonlocal_ID)) then
field = field + 1
loadCases(i)%ID(field) = FIELD_DAMAGE_ID
newLoadCase%ID(field) = FIELD_DAMAGE_ID
endif damageActive
enddo
!--------------------------------------------------------------------------------------------------
! reading the load case and assign values to the allocated data structure
rewind(FILEUNIT)
do
line = IO_read(FILEUNIT)
if (trim(line) == IO_EOF) exit
if (IO_isBlank(line)) cycle ! skip empty lines
currentLoadCase = currentLoadCase + 1_pInt
chunkPos = IO_stringPos(line)
do i = 1_pInt, chunkPos(1)
readIn: do i = 1_pInt, chunkPos(1)
select case (IO_lc(IO_stringValue(line,chunkPos,i)))
case('fdot','dotf','l','velocitygrad','velgrad','velocitygradient','f') ! assign values for the deformation BC matrix
temp_valueVector = 0.0_pReal
if (IO_lc(IO_stringValue(line,chunkPos,i)) == 'fdot'.or. & ! in case of Fdot, set type to fdot
IO_lc(IO_stringValue(line,chunkPos,i)) == 'dotf') then
loadCases(currentLoadCase)%deformation%myType = 'fdot'
newLoadCase%deformation%myType = 'fdot'
else if (IO_lc(IO_stringValue(line,chunkPos,i)) == 'f') then
loadCases(currentLoadCase)%deformation%myType = 'f'
newLoadCase%deformation%myType = 'f'
else
loadCases(currentLoadCase)%deformation%myType = 'l'
newLoadCase%deformation%myType = 'l'
endif
do j = 1_pInt, 9_pInt
temp_maskVector(j) = IO_stringValue(line,chunkPos,i+j) /= '*' ! true if not a *
if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j) ! read value where applicable
enddo
loadCases(currentLoadCase)%deformation%maskLogical = & ! logical mask in 3x3 notation
transpose(reshape(temp_maskVector,[ 3,3]))
loadCases(currentLoadCase)%deformation%maskFloat = & ! float (1.0/0.0) mask in 3x3 notation
merge(ones,zeros,loadCases(currentLoadCase)%deformation%maskLogical)
loadCases(currentLoadCase)%deformation%values = math_plain9to33(temp_valueVector) ! values in 3x3 notation
newLoadCase%deformation%maskLogical = transpose(reshape(temp_maskVector,[ 3,3])) ! logical mask in 3x3 notation
newLoadCase%deformation%maskFloat = merge(ones,zeros,newLoadCase%deformation%maskLogical)! float (1.0/0.0) mask in 3x3 notation
newLoadCase%deformation%values = math_plain9to33(temp_valueVector) ! values in 3x3 notation
case('p','pk1','piolakirchhoff','stress', 's')
temp_valueVector = 0.0_pReal
do j = 1_pInt, 9_pInt
temp_maskVector(j) = IO_stringValue(line,chunkPos,i+j) /= '*' ! true if not an asterisk
if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j) ! read value where applicable
enddo
loadCases(currentLoadCase)%stress%maskLogical = transpose(reshape(temp_maskVector,[ 3,3]))
loadCases(currentLoadCase)%stress%maskFloat = merge(ones,zeros,&
loadCases(currentLoadCase)%stress%maskLogical)
loadCases(currentLoadCase)%stress%values = math_plain9to33(temp_valueVector)
newLoadCase%stress%maskLogical = transpose(reshape(temp_maskVector,[ 3,3]))
newLoadCase%stress%maskFloat = merge(ones,zeros,newLoadCase%stress%maskLogical)
newLoadCase%stress%values = math_plain9to33(temp_valueVector)
case('t','time','delta') ! increment time
loadCases(currentLoadCase)%time = IO_floatValue(line,chunkPos,i+1_pInt)
newLoadCase%time = IO_floatValue(line,chunkPos,i+1_pInt)
case('n','incs','increments','steps') ! number of increments
loadCases(currentLoadCase)%incs = IO_intValue(line,chunkPos,i+1_pInt)
newLoadCase%incs = IO_intValue(line,chunkPos,i+1_pInt)
case('logincs','logincrements','logsteps') ! number of increments (switch to log time scaling)
loadCases(currentLoadCase)%incs = IO_intValue(line,chunkPos,i+1_pInt)
loadCases(currentLoadCase)%logscale = 1_pInt
newLoadCase%incs = IO_intValue(line,chunkPos,i+1_pInt)
newLoadCase%logscale = 1_pInt
case('freq','frequency','outputfreq') ! frequency of result writings
loadCases(currentLoadCase)%outputfrequency = IO_intValue(line,chunkPos,i+1_pInt)
newLoadCase%outputfrequency = IO_intValue(line,chunkPos,i+1_pInt)
case('r','restart','restartwrite') ! frequency of writing restart information
loadCases(currentLoadCase)%restartfrequency = &
newLoadCase%restartfrequency = &
max(0_pInt,IO_intValue(line,chunkPos,i+1_pInt))
case('guessreset','dropguessing')
loadCases(currentLoadCase)%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory
case('euler') ! rotation of currentLoadCase given in euler angles
newLoadCase%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory
case('euler') ! rotation of load case given in euler angles
temp_valueVector = 0.0_pReal
l = 1_pInt ! assuming values given in degrees
k = 1_pInt ! assuming keyword indicating degree/radians present
@ -272,108 +283,90 @@ program DAMASK_spectral
temp_valueVector(j) = IO_floatValue(line,chunkPos,i+k+j)
enddo
if (l == 1_pInt) temp_valueVector(1:3) = temp_valueVector(1:3) * inRad ! convert to rad
loadCases(currentLoadCase)%rotation = math_EulerToR(temp_valueVector(1:3)) ! convert rad Eulers to rotation matrix
case('rotation','rot') ! assign values for the rotation of currentLoadCase matrix
newLoadCase%rotation = math_EulerToR(temp_valueVector(1:3)) ! convert rad Eulers to rotation matrix
case('rotation','rot') ! assign values for the rotation matrix
temp_valueVector = 0.0_pReal
do j = 1_pInt, 9_pInt
temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j)
enddo
loadCases(currentLoadCase)%rotation = math_plain9to33(temp_valueVector)
newLoadCase%rotation = math_plain9to33(temp_valueVector)
end select
enddo; enddo
close(FILEUNIT)
!--------------------------------------------------------------------------------------------------
! consistency checks and output of load case
loadCases(1)%followFormerTrajectory = .false. ! cannot guess along trajectory for first inc of first currentLoadCase
errorID = 0_pInt
if (worldrank == 0) then
checkLoadcases: do currentLoadCase = 1_pInt, size(loadCases)
enddo readIn
newLoadCase%followFormerTrajectory = merge(.true.,.false.,currentLoadCase > 1_pInt) ! by default, guess from previous load case
reportAndCheck: if (worldrank == 0) then
write (loadcase_string, '(i6)' ) currentLoadCase
write(6,'(1x,a,i6)') 'load case: ', currentLoadCase
if (.not. loadCases(currentLoadCase)%followFormerTrajectory) &
write(6,'(2x,a)') 'drop guessing along trajectory'
if (loadCases(currentLoadCase)%deformation%myType == 'l') then
if (.not. newLoadCase%followFormerTrajectory) write(6,'(2x,a)') 'drop guessing along trajectory'
if (newLoadCase%deformation%myType == 'l') then
do j = 1_pInt, 3_pInt
if (any(loadCases(currentLoadCase)%deformation%maskLogical(j,1:3) .eqv. .true.) .and. &
any(loadCases(currentLoadCase)%deformation%maskLogical(j,1:3) .eqv. .false.)) &
errorID = 832_pInt ! each row should be either fully or not at all defined
if (any(newLoadCase%deformation%maskLogical(j,1:3) .eqv. .true.) .and. &
any(newLoadCase%deformation%maskLogical(j,1:3) .eqv. .false.)) errorID = 832_pInt ! each row should be either fully or not at all defined
enddo
write(6,'(2x,a)') 'velocity gradient:'
else if (loadCases(currentLoadCase)%deformation%myType == 'f') then
else if (newLoadCase%deformation%myType == 'f') then
write(6,'(2x,a)') 'deformation gradient at end of load case:'
else
write(6,'(2x,a)') 'deformation gradient rate:'
endif
do i = 1_pInt, 3_pInt; do j = 1_pInt, 3_pInt
if(loadCases(currentLoadCase)%deformation%maskLogical(i,j)) then
write(6,'(2x,f12.7)',advance='no') loadCases(currentLoadCase)%deformation%values(i,j)
if(newLoadCase%deformation%maskLogical(i,j)) then
write(6,'(2x,f12.7)',advance='no') newLoadCase%deformation%values(i,j)
else
write(6,'(2x,12a)',advance='no') ' * '
endif
enddo; write(6,'(/)',advance='no')
enddo
if (any(loadCases(currentLoadCase)%stress%maskLogical .eqv. &
loadCases(currentLoadCase)%deformation%maskLogical)) errorID = 831_pInt ! exclusive or masking only
if (any(loadCases(currentLoadCase)%stress%maskLogical .and. &
transpose(loadCases(currentLoadCase)%stress%maskLogical) .and. &
if (any(newLoadCase%stress%maskLogical .eqv. &
newLoadCase%deformation%maskLogical)) errorID = 831_pInt ! exclusive or masking only
if (any(newLoadCase%stress%maskLogical .and. &
transpose(newLoadCase%stress%maskLogical) .and. &
reshape([ .false.,.true.,.true.,.true.,.false.,.true.,.true.,.true.,.false.],[ 3,3]))) &
errorID = 838_pInt ! no rotation is allowed by stress BC
write(6,'(2x,a)') 'stress / GPa:'
do i = 1_pInt, 3_pInt; do j = 1_pInt, 3_pInt
if(loadCases(currentLoadCase)%stress%maskLogical(i,j)) then
write(6,'(2x,f12.7)',advance='no') loadCases(currentLoadCase)%stress%values(i,j)*1e-9_pReal
if(newLoadCase%stress%maskLogical(i,j)) then
write(6,'(2x,f12.7)',advance='no') newLoadCase%stress%values(i,j)*1e-9_pReal
else
write(6,'(2x,12a)',advance='no') ' * '
endif
enddo; write(6,'(/)',advance='no')
enddo
if (any(abs(math_mul33x33(loadCases(currentLoadCase)%rotation, &
math_transpose33(loadCases(currentLoadCase)%rotation))-math_I3) > &
if (any(abs(math_mul33x33(newLoadCase%rotation, &
transpose(newLoadCase%rotation))-math_I3) > &
reshape(spread(tol_math_check,1,9),[ 3,3]))&
.or. abs(math_det33(loadCases(currentLoadCase)%rotation)) > &
.or. abs(math_det33(newLoadCase%rotation)) > &
1.0_pReal + tol_math_check) errorID = 846_pInt ! given rotation matrix contains strain
if (any(dNeq(loadCases(currentLoadCase)%rotation, math_I3))) &
if (any(dNeq(newLoadCase%rotation, math_I3))) &
write(6,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'rotation of loadframe:',&
math_transpose33(loadCases(currentLoadCase)%rotation)
if (loadCases(currentLoadCase)%time < 0.0_pReal) errorID = 834_pInt ! negative time increment
write(6,'(2x,a,f12.6)') 'time: ', loadCases(currentLoadCase)%time
if (loadCases(currentLoadCase)%incs < 1_pInt) errorID = 835_pInt ! non-positive incs count
write(6,'(2x,a,i5)') 'increments: ', loadCases(currentLoadCase)%incs
if (loadCases(currentLoadCase)%outputfrequency < 1_pInt) errorID = 836_pInt ! non-positive result frequency
write(6,'(2x,a,i5)') 'output frequency: ', &
loadCases(currentLoadCase)%outputfrequency
write(6,'(2x,a,i5,/)') 'restart frequency: ', &
loadCases(currentLoadCase)%restartfrequency
transpose(newLoadCase%rotation)
if (newLoadCase%time < 0.0_pReal) errorID = 834_pInt ! negative time increment
write(6,'(2x,a,f12.6)') 'time: ', newLoadCase%time
if (newLoadCase%incs < 1_pInt) errorID = 835_pInt ! non-positive incs count
write(6,'(2x,a,i5)') 'increments: ', newLoadCase%incs
if (newLoadCase%outputfrequency < 1_pInt) errorID = 836_pInt ! non-positive result frequency
write(6,'(2x,a,i5)') 'output frequency: ', newLoadCase%outputfrequency
write(6,'(2x,a,i5,/)') 'restart frequency: ', newLoadCase%restartfrequency
if (errorID > 0_pInt) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message
enddo checkLoadcases
endif
endif reportAndCheck
loadCases = [loadCases,newLoadCase] ! load case is ok, append it
enddo
close(fileUnit)
!--------------------------------------------------------------------------------------------------
! doing initialization depending on selected solver
! doing initialization depending on active solvers
call Utilities_init()
do field = 1, nActiveFields
select case (loadCases(1)%ID(field))
case(FIELD_MECH_ID)
select case (spectral_solver)
case (DAMASK_spectral_SolverBasic_label)
call basic_init
case (DAMASK_spectral_SolverPolarisation_label)
if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) &
call IO_warning(42_pInt, ext_msg='debug Divergence')
call Polarisation_init
case default
call IO_error(error_ID = 891_pInt, ext_msg = trim(spectral_solver))
end select
call mech_init
case(FIELD_THERMAL_ID)
case(FIELD_THERMAL_ID)
call spectral_thermal_init
case(FIELD_DAMAGE_ID)
call spectral_damage_init()
call spectral_damage_init
end select
enddo
@ -382,22 +375,22 @@ program DAMASK_spectral
! write header of output file
if (worldrank == 0) then
writeHeader: if (interface_restartInc < 1_pInt) then
open(newunit=resUnit,file=trim(getSolverJobName())//&
open(newunit=fileUnit,file=trim(getSolverJobName())//&
'.spectralOut',form='UNFORMATTED',status='REPLACE')
write(resUnit) 'load:', trim(loadCaseFile) ! ... and write header
write(resUnit) 'workingdir:', trim(workingDir)
write(resUnit) 'geometry:', trim(geometryFile)
write(resUnit) 'grid:', grid
write(resUnit) 'size:', geomSize
write(resUnit) 'materialpoint_sizeResults:', materialpoint_sizeResults
write(resUnit) 'loadcases:', size(loadCases)
write(resUnit) 'frequencies:', loadCases%outputfrequency ! one entry per LoadCase
write(resUnit) 'times:', loadCases%time ! one entry per LoadCase
write(resUnit) 'logscales:', loadCases%logscale
write(resUnit) 'increments:', loadCases%incs ! one entry per LoadCase
write(resUnit) 'startingIncrement:', restartInc ! start with writing out the previous inc
write(resUnit) 'eoh'
close(resUnit) ! end of header
write(fileUnit) 'load:', trim(loadCaseFile) ! ... and write header
write(fileUnit) 'workingdir:', trim(workingDir)
write(fileUnit) 'geometry:', trim(geometryFile)
write(fileUnit) 'grid:', grid
write(fileUnit) 'size:', geomSize
write(fileUnit) 'materialpoint_sizeResults:', materialpoint_sizeResults
write(fileUnit) 'loadcases:', size(loadCases)
write(fileUnit) 'frequencies:', loadCases%outputfrequency ! one entry per LoadCase
write(fileUnit) 'times:', loadCases%time ! one entry per LoadCase
write(fileUnit) 'logscales:', loadCases%logscale
write(fileUnit) 'increments:', loadCases%incs ! one entry per LoadCase
write(fileUnit) 'startingIncrement:', restartInc ! start with writing out the previous inc
write(fileUnit) 'eoh'
close(fileUnit) ! end of header
open(newunit=statUnit,file=trim(getSolverJobName())//&
'.sta',form='FORMATTED',status='REPLACE')
write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file
@ -419,13 +412,13 @@ program DAMASK_spectral
call MPI_file_open(PETSC_COMM_WORLD, trim(getSolverJobName())//'.spectralOut', &
MPI_MODE_WRONLY + MPI_MODE_APPEND, &
MPI_INFO_NULL, &
resUnit, &
fileUnit, &
ierr)
if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_open')
call MPI_file_get_position(resUnit,fileOffset,ierr) ! get offset from header
call MPI_file_get_position(fileUnit,fileOffset,ierr) ! get offset from header
if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_get_position')
fileOffset = fileOffset + sum(outputSize(1:worldrank)) ! offset of my process in file (header + processes before me)
call MPI_file_seek (resUnit,fileOffset,MPI_SEEK_SET,ierr)
call MPI_file_seek (fileUnit,fileOffset,MPI_SEEK_SET,ierr)
if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_seek')
writeUndeformed: if (interface_restartInc < 1_pInt) then
@ -433,7 +426,7 @@ program DAMASK_spectral
do i = 1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
outputIndex = int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, & ! QUESTION: why not starting i at 0 instead of murky 1?
min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
call MPI_file_write(resUnit,reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)), &
call MPI_file_write(fileUnit,reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)), &
[(outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)]), &
int((outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)), &
MPI_DOUBLE, MPI_STATUS_IGNORE, ierr)
@ -442,13 +435,13 @@ program DAMASK_spectral
fileOffset = fileOffset + sum(outputSize) ! forward to current file position
endif writeUndeformed
!--------------------------------------------------------------------------------------------------
! looping over loadcases
! looping over load cases
loadCaseLooping: do currentLoadCase = 1_pInt, size(loadCases)
time0 = time ! currentLoadCase start time
time0 = time ! load case start time
guess = loadCases(currentLoadCase)%followFormerTrajectory ! change of load case? homogeneous guess for the first inc
!--------------------------------------------------------------------------------------------------
! loop over incs defined in input file for current currentLoadCase
! loop over incs defined in input file for current load case
incLooping: do inc = 1_pInt, loadCases(currentLoadCase)%incs
totalIncsCounter = totalIncsCounter + 1_pInt
@ -458,13 +451,13 @@ program DAMASK_spectral
if (loadCases(currentLoadCase)%logscale == 0_pInt) then ! linear scale
timeinc = loadCases(currentLoadCase)%time/real(loadCases(currentLoadCase)%incs,pReal)
else
if (currentLoadCase == 1_pInt) then ! 1st currentLoadCase of logarithmic scale
if (inc == 1_pInt) then ! 1st inc of 1st currentLoadCase of logarithmic scale
if (currentLoadCase == 1_pInt) then ! 1st load case of logarithmic scale
if (inc == 1_pInt) then ! 1st inc of 1st load case of logarithmic scale
timeinc = loadCases(1)%time*(2.0_pReal**real( 1_pInt-loadCases(1)%incs ,pReal)) ! assume 1st inc is equal to 2nd
else ! not-1st inc of 1st currentLoadCase of logarithmic scale
else ! not-1st inc of 1st load case of logarithmic scale
timeinc = loadCases(1)%time*(2.0_pReal**real(inc-1_pInt-loadCases(1)%incs ,pReal))
endif
else ! not-1st currentLoadCase of logarithmic scale
else ! not-1st load case of logarithmic scale
timeinc = time0 * &
( (1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc ,pReal)/&
real(loadCases(currentLoadCase)%incs ,pReal))&
@ -512,24 +505,14 @@ program DAMASK_spectral
do field = 1, nActiveFields
select case(loadCases(currentLoadCase)%ID(field))
case(FIELD_MECH_ID)
select case (spectral_solver)
case (DAMASK_spectral_SolverBasic_label)
call Basic_forward (&
call mech_forward (&
guess,timeinc,timeIncOld,remainingLoadCaseTime, &
deformation_BC = loadCases(currentLoadCase)%deformation, &
stress_BC = loadCases(currentLoadCase)%stress, &
rotation_BC = loadCases(currentLoadCase)%rotation)
case (DAMASK_spectral_SolverPolarisation_label)
call Polarisation_forward (&
guess,timeinc,timeIncOld,remainingLoadCaseTime, &
deformation_BC = loadCases(currentLoadCase)%deformation, &
stress_BC = loadCases(currentLoadCase)%stress, &
rotation_BC = loadCases(currentLoadCase)%rotation)
end select
case(FIELD_THERMAL_ID); call spectral_thermal_forward()
case(FIELD_DAMAGE_ID); call spectral_damage_forward()
case(FIELD_THERMAL_ID); call spectral_thermal_forward()
case(FIELD_DAMAGE_ID); call spectral_damage_forward()
end select
enddo
@ -541,20 +524,10 @@ program DAMASK_spectral
do field = 1, nActiveFields
select case(loadCases(currentLoadCase)%ID(field))
case(FIELD_MECH_ID)
select case (spectral_solver)
case (DAMASK_spectral_SolverBasic_label)
solres(field) = Basic_solution (&
incInfo,timeinc,timeIncOld, &
stress_BC = loadCases(currentLoadCase)%stress, &
rotation_BC = loadCases(currentLoadCase)%rotation)
case (DAMASK_spectral_SolverPolarisation_label)
solres(field) = Polarisation_solution (&
incInfo,timeinc,timeIncOld, &
stress_BC = loadCases(currentLoadCase)%stress, &
rotation_BC = loadCases(currentLoadCase)%rotation)
end select
solres(field) = mech_solution (&
incInfo,timeinc,timeIncOld, &
stress_BC = loadCases(currentLoadCase)%stress, &
rotation_BC = loadCases(currentLoadCase)%rotation)
case(FIELD_THERMAL_ID)
solres(field) = spectral_thermal_solution(timeinc,timeIncOld,remainingLoadCaseTime)
@ -595,7 +568,7 @@ program DAMASK_spectral
write(6,'(/,a)') ' cutting back '
else ! no more options to continue
call IO_warning(850_pInt)
call MPI_file_close(resUnit,ierr)
call MPI_file_close(fileUnit,ierr)
close(statUnit)
call quit(-1_pInt*(lastRestartWritten+1_pInt)) ! quit and provide information about last restart inc written
endif
@ -618,12 +591,12 @@ program DAMASK_spectral
write(6,'(1/,a)') ' ... writing results to file ......................................'
flush(6)
call materialpoint_postResults()
call MPI_file_seek (resUnit,fileOffset,MPI_SEEK_SET,ierr)
call MPI_file_seek (fileUnit,fileOffset,MPI_SEEK_SET,ierr)
if (ierr /= 0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_seek')
do i=1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
outputIndex=int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, &
min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
call MPI_file_write(resUnit,reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)),&
call MPI_file_write(fileUnit,reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)),&
[(outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)]), &
int((outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)),&
MPI_DOUBLE, MPI_STATUS_IGNORE, ierr)
@ -651,10 +624,9 @@ program DAMASK_spectral
convergedCounter, ' out of ', &
notConvergedCounter + convergedCounter, ' (', &
real(convergedCounter, pReal)/&
real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, &
' %) increments converged!'
real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, ' %) increments converged!'
flush(6)
call MPI_file_close(resUnit,ierr)
call MPI_file_close(fileUnit,ierr)
close(statUnit)
if (notConvergedCounter > 0_pInt) call quit(3_pInt) ! error if some are not converged
@ -673,10 +645,13 @@ end program DAMASK_spectral
!--------------------------------------------------------------------------------------------------
subroutine quit(stop_id)
#include <petsc/finclude/petscsys.h>
use MPI
#ifdef _OPENMP
use MPI, only: &
MPI_finalize
#endif
use prec, only: &
pInt
implicit none
integer(pInt), intent(in) :: stop_id
integer, dimension(8) :: dateAndTime ! type default integer

1334
src/HDF5_utilities.f90 Normal file
View File

File diff suppressed because it is too large Load Diff

4
src/IO.f90
View File

@ -1477,6 +1477,8 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
msg = 'illegal texture transformation specified'
case (160_pInt)
msg = 'no entries in config part'
case (161_pInt)
msg = 'config part found twice'
case (165_pInt)
msg = 'homogenization configuration'
case (170_pInt)
@ -1574,7 +1576,7 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
case (845_pInt)
msg = 'incomplete information in spectral mesh header'
case (846_pInt)
msg = 'not a rotation defined for loadcase rotation'
msg = 'rotation for load case rotation ill-defined (R:RT != I)'
case (847_pInt)
msg = 'update of gamma operator not possible when pre-calculated'
case (880_pInt)

30
src/config.f90
View File

@ -141,23 +141,23 @@ subroutine config_init()
select case (trim(part))
case (trim(material_partPhase))
call parseFile(line,phase_name,config_phase,fileContent(i+1:))
call parseFile(phase_name,config_phase,line,fileContent(i+1:))
if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Phase parsed'; flush(6)
case (trim(material_partMicrostructure))
call parseFile(line,microstructure_name,config_microstructure,fileContent(i+1:))
call parseFile(microstructure_name,config_microstructure,line,fileContent(i+1:))
if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Microstructure parsed'; flush(6)
case (trim(material_partCrystallite))
call parseFile(line,crystallite_name,config_crystallite,fileContent(i+1:))
call parseFile(crystallite_name,config_crystallite,line,fileContent(i+1:))
if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Crystallite parsed'; flush(6)
case (trim(material_partHomogenization))
call parseFile(line,homogenization_name,config_homogenization,fileContent(i+1:))
call parseFile(homogenization_name,config_homogenization,line,fileContent(i+1:))
if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Homogenization parsed'; flush(6)
case (trim(material_partTexture))
call parseFile(line,texture_name,config_texture,fileContent(i+1:))
call parseFile(texture_name,config_texture,line,fileContent(i+1:))
if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Texture parsed'; flush(6)
end select
@ -180,7 +180,7 @@ end subroutine config_init
!--------------------------------------------------------------------------------------------------
!> @brief parses the material.config file
!--------------------------------------------------------------------------------------------------
subroutine parseFile(line,sectionNames,part,&
subroutine parseFile(sectionNames,part,line, &
fileContent)
use prec, only: &
pStringLen
@ -189,16 +189,18 @@ subroutine parseFile(line,sectionNames,part,&
IO_getTag
implicit none
character(len=pStringLen), intent(out) :: line
character(len=64), allocatable, dimension(:), intent(out) :: sectionNames
type(tPartitionedStringList), allocatable, dimension(:), intent(out) :: part
character(len=pStringLen), dimension(:), intent(in) :: fileContent
character(len=64), allocatable, dimension(:), intent(out) :: sectionNames
type(tPartitionedStringList), allocatable, dimension(:), intent(inout) :: part
character(len=pStringLen), intent(inout) :: line
character(len=pStringLen), dimension(:), intent(in) :: fileContent
integer(pInt), allocatable, dimension(:) :: partPosition ! position of [] tags + last line in section
integer(pInt), allocatable, dimension(:) :: partPosition ! position of [] tags + last line in section
integer(pInt) :: i, j
logical :: echo
echo = .false.
if (allocated(part)) call IO_error(161_pInt,ext_msg=trim(line))
allocate(partPosition(0))
do i = 1_pInt, size(fileContent)
@ -351,7 +353,7 @@ end subroutine finalize
!--------------------------------------------------------------------------------------------------
!> @brief cleans entire array of linke lists
!> @details called when variable goes out of scope.
!> @details called when variable goes out of scope and deallocates the list at each array entry
!--------------------------------------------------------------------------------------------------
subroutine finalizeArray(this)
@ -361,11 +363,11 @@ subroutine finalizeArray(this)
type(tPartitionedStringList), pointer :: temp ! bug in Gfortran?
do i=1, size(this)
!if (associated(this(i)%next)) then
if (associated(this(i)%next)) then
temp => this(i)%next
!deallocate(this(i)) !internal compiler error: in gfc_build_final_call, at fortran/trans.c:975
deallocate(temp)
!endif
endif
enddo
end subroutine finalizeArray

92
src/crystallite.f90
View File

@ -114,6 +114,7 @@ module crystallite
end enum
integer(kind(undefined_ID)),dimension(:,:), allocatable, private :: &
crystallite_outputID !< ID of each post result output
procedure(), pointer :: integrateState
public :: &
crystallite_init, &
@ -122,6 +123,7 @@ module crystallite
crystallite_push33ToRef, &
crystallite_postResults
private :: &
integrateState, &
crystallite_integrateStateFPI, &
crystallite_integrateStateEuler, &
crystallite_integrateStateAdaptiveEuler, &
@ -149,6 +151,7 @@ subroutine crystallite_init
debug_crystallite, &
debug_levelBasic
use numerics, only: &
numerics_integrator, &
worldrank, &
usePingPong
use math, only: &
@ -174,10 +177,11 @@ subroutine crystallite_init
use config, only: &
config_deallocate, &
config_crystallite, &
crystallite_name
crystallite_name, &
material_Nphase
use constitutive, only: &
constitutive_initialFi, &
constitutive_microstructure ! derived (shortcut) quantities of given state
constitutive_microstructure ! derived (shortcut) quantities of given state
implicit none
@ -187,7 +191,8 @@ subroutine crystallite_init
i, & !< counter in integration point loop
e, & !< counter in element loop
o = 0_pInt, & !< counter in output loop
r, & !< counter in crystallite loop
r, &
ph, & !< counter in crystallite loop
cMax, & !< maximum number of integration point components
iMax, & !< maximum number of integration points
eMax, & !< maximum number of elements
@ -269,6 +274,20 @@ subroutine crystallite_init
allocate(crystallite_sizePostResult(maxval(crystallite_Noutput), &
size(config_crystallite)), source=0_pInt)
select case(numerics_integrator(1))
case(1_pInt)
integrateState => crystallite_integrateStateFPI
case(2_pInt)
integrateState => crystallite_integrateStateEuler
case(3_pInt)
integrateState => crystallite_integrateStateAdaptiveEuler
case(4_pInt)
integrateState => crystallite_integrateStateRK4
case(5_pInt)
integrateState => crystallite_integrateStateRKCK45
end select
do c = 1_pInt, size(config_crystallite)
#if defined(__GFORTRAN__)
@ -421,6 +440,19 @@ subroutine crystallite_init
enddo
!$OMP END PARALLEL DO
!--------------------------------------------------------------------------------------------------
! propagate dependent states to materialpoint and boundary value problem level
! do ph = 1_pInt,material_Nphase
! plasticState(ph)%partionedState0(plasticState(ph)%offsetDeltaState+plasticState(ph)%sizeDeltaState: &
! plasticState(ph)%sizeState,:) &
! = plasticState(ph)%state(plasticState(ph)%offsetDeltaState+plasticState(ph)%sizeDeltaState: &
! plasticState(ph)%sizeState,:)
! plasticState(ph)%state0 (plasticState(ph)%offsetDeltaState+plasticState(ph)%sizeDeltaState: &
! plasticState(ph)%sizeState,:) &
! = plasticState(ph)%state(plasticState(ph)%offsetDeltaState+plasticState(ph)%sizeDeltaState: &
! plasticState(ph)%sizeState,:)
! enddo
call crystallite_stressAndItsTangent(.true.) ! request elastic answers
crystallite_fallbackdPdF = crystallite_dPdF ! use initial elastic stiffness as fallback
@ -494,8 +526,6 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
subStepMinCryst, &
subStepSizeCryst, &
stepIncreaseCryst, &
numerics_integrator, &
numerics_integrationMode, &
numerics_timeSyncing
use debug, only: &
debug_level, &
@ -614,6 +644,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
if (crystallite_requested(c,i,e)) then
plasticState (phaseAt(c,i,e))%subState0( :,phasememberAt(c,i,e)) = &
plasticState (phaseAt(c,i,e))%partionedState0(:,phasememberAt(c,i,e))
do mySource = 1_pInt, phase_Nsources(phaseAt(c,i,e))
sourceState(phaseAt(c,i,e))%p(mySource)%subState0( :,phasememberAt(c,i,e)) = &
sourceState(phaseAt(c,i,e))%p(mySource)%partionedState0(:,phasememberAt(c,i,e))
@ -647,7 +678,6 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
endif singleRun
NiterationCrystallite = 0_pInt
numerics_integrationMode = 1_pInt
cutbackLooping: do while (any(crystallite_todo(:,startIP:endIP,FEsolving_execELem(1):FEsolving_execElem(2))))
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) &
@ -990,7 +1020,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
timeSyncing2: if(numerics_timeSyncing) then
if (any(.not. crystallite_localPlasticity .and. .not. crystallite_todo .and. .not. crystallite_converged &
.and. crystallite_subStep <= subStepMinCryst)) then ! no way of rescuing a nonlocal ip that violated the lower time step limit, ...
.and. crystallite_subStep <= subStepMinCryst)) then ! no way of rescuing a nonlocal ip that violated the lower time step limit, ...
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) then
elementLooping4: do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNcomponents = homogenization_Ngrains(mesh_element(3,e))
@ -1004,7 +1034,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
enddo elementLooping4
endif
where(.not. crystallite_localPlasticity)
crystallite_todo = .false. ! ... so let all nonlocal ips die peacefully
crystallite_todo = .false. ! ... so let all nonlocal ips die peacefully
crystallite_subStep = 0.0_pReal
endwhere
endif
@ -1025,25 +1055,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
! --- integrate --- requires fully defined state array (basic + dependent state)
if (any(crystallite_todo)) then
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) then
write(6,'(/,a,i3)') '<< CRYST >> using state integrator ',numerics_integrator(numerics_integrationMode)
flush(6)
endif
select case(numerics_integrator(numerics_integrationMode))
case(1_pInt)
call crystallite_integrateStateFPI()
case(2_pInt)
call crystallite_integrateStateEuler()
case(3_pInt)
call crystallite_integrateStateAdaptiveEuler()
case(4_pInt)
call crystallite_integrateStateRK4()
case(5_pInt)
call crystallite_integrateStateRKCK45()
end select
endif
if (any(crystallite_todo)) call integrateState()
where(.not. crystallite_converged .and. crystallite_subStep > subStepMinCryst) & ! do not try non-converged & fully cutbacked any further
crystallite_todo = .true.
@ -1056,9 +1068,9 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
elementLooping5: do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNcomponents = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
do c = 1,myNcomponents
if (.not. crystallite_converged(c,i,e)) then ! respond fully elastically (might be not required due to becoming terminally ill anyway)
if (.not. crystallite_converged(c,i,e)) then ! respond fully elastically (might be not required due to becoming terminally ill anyway)
if(iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) &
write(6,'(a,i8,1x,a,i8,a,1x,i2,1x,i3,/)') '<< CRYST >> no convergence: respond fully elastic at el (elFE) ip ipc ', &
e,'(',mesh_element(1,e),')',i,c
@ -2009,8 +2021,7 @@ subroutine crystallite_integrateStateAdaptiveEuler()
debug_levelExtensive, &
debug_levelSelective
use numerics, only: &
rTol_crystalliteState, &
numerics_integrationMode
rTol_crystalliteState
use FEsolving, only: &
FEsolving_execElem, &
FEsolving_execIP
@ -2078,7 +2089,6 @@ subroutine crystallite_integrateStateAdaptiveEuler()
sourceStateResiduum = 0.0_pReal
relSourceStateResiduum = 0.0_pReal
integrationMode: if (numerics_integrationMode == 1_pInt) then
!$OMP PARALLEL
! --- DOT STATE (EULER INTEGRATION) ---
@ -2178,7 +2188,6 @@ subroutine crystallite_integrateStateAdaptiveEuler()
enddo; enddo; enddo
!$OMP ENDDO
!$OMP END PARALLEL
endif integrationMode
! --- STRESS INTEGRATION (EULER INTEGRATION) ---
@ -2198,9 +2207,6 @@ subroutine crystallite_integrateStateAdaptiveEuler()
enddo; enddo; enddo
!$OMP END PARALLEL DO
if (numerics_integrationMode == 1_pInt) then
!$OMP PARALLEL
! --- DOT STATE (HEUN METHOD) ---
@ -2319,17 +2325,6 @@ subroutine crystallite_integrateStateAdaptiveEuler()
!$OMP ENDDO
!$OMP END PARALLEL
elseif (numerics_integrationMode > 1) then ! stiffness calculation
!$OMP PARALLEL DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
crystallite_converged(g,i,e) = crystallite_todo(g,i,e) .or. crystallite_converged(g,i,e) ! ... converged per definitionem
enddo; enddo; enddo
!$OMP END PARALLEL DO
endif
! --- NONLOCAL CONVERGENCE CHECK ---
@ -2360,7 +2355,6 @@ subroutine crystallite_integrateStateEuler()
debug_levelExtensive, &
debug_levelSelective
use numerics, only: &
numerics_integrationMode, &
numerics_timeSyncing
use FEsolving, only: &
FEsolving_execElem, &
@ -2407,7 +2401,6 @@ eIter = FEsolving_execElem(1:2)
singleRun = (eIter(1) == eIter(2) .and. iIter(1,eIter(1)) == iIter(2,eIter(2)))
if (numerics_integrationMode == 1_pInt) then
!$OMP PARALLEL
! --- DOT STATE ---
@ -2512,7 +2505,6 @@ eIter = FEsolving_execElem(1:2)
enddo; enddo; enddo
!$OMP ENDDO
!$OMP END PARALLEL
endif
!$OMP PARALLEL

3
src/debug.f90
View File

@ -109,6 +109,9 @@ subroutine debug_init
character(len=65536) :: tag, line
write(6,'(/,a)') ' <<<+- debug init -+>>>'
#ifdef DEBUG
write(6,'(a)') achar(27)//'[31m <<<+- DEBUG version -+>>>'//achar(27)//'[0m'
#endif
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"

9
src/numerics.f90
View File

@ -26,9 +26,8 @@ module numerics
worldsize = 0_pInt !< MPI worldsize (/=0 for MPI simulations only)
integer(4), protected, public :: &
DAMASK_NumThreadsInt = 0 !< value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive
integer(pInt), public :: &
numerics_integrationMode = 0_pInt !< integrationMode 1 = central solution; integrationMode 2 = perturbation, Default 0: undefined, is not read from file
integer(pInt), dimension(2) , protected, public :: &
!< ToDo: numerics_integrator is an array for historical reasons, only element 1 is used!
integer(pInt), dimension(2), protected, public :: &
numerics_integrator = 1_pInt !< method used for state integration (central & perturbed state), Default 1: fix-point iteration for both states
real(pReal), protected, public :: &
relevantStrain = 1.0e-7_pReal, & !< strain increment considered significant (used by crystallite to determine whether strain inc is considered significant)
@ -314,9 +313,7 @@ subroutine numerics_init
case ('atol_crystallitestress')
aTol_crystalliteStress = IO_floatValue(line,chunkPos,2_pInt)
case ('integrator')
numerics_integrator(1) = IO_intValue(line,chunkPos,2_pInt)
case ('integratorstiffness')
numerics_integrator(2) = IO_intValue(line,chunkPos,2_pInt)
numerics_integrator = IO_intValue(line,chunkPos,2_pInt)
case ('usepingpong')
usepingpong = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
case ('timesyncing')

17
src/plastic_nonlocal.f90
View File

@ -2382,8 +2382,7 @@ use, intrinsic :: &
use prec, only: dNeq0, &
dNeq, &
dEq0
use numerics, only: numerics_integrationMode, &
numerics_timeSyncing
use numerics, only: numerics_timeSyncing
use IO, only: IO_error
use debug, only: debug_level, &
debug_constitutive, &
@ -2942,14 +2941,12 @@ rhoDot = rhoDotFlux &
+ rhoDotAthermalAnnihilation &
+ rhoDotThermalAnnihilation
if (numerics_integrationMode == 1_pInt) then ! save rates for output if in central integration mode
rhoDotFluxOutput(1:ns,1:8,1_pInt,ip,el) = rhoDotFlux(1:ns,1:8)
rhoDotMultiplicationOutput(1:ns,1:2,1_pInt,ip,el) = rhoDotMultiplication(1:ns,[1,3])
rhoDotSingle2DipoleGlideOutput(1:ns,1:2,1_pInt,ip,el) = rhoDotSingle2DipoleGlide(1:ns,9:10)
rhoDotAthermalAnnihilationOutput(1:ns,1:2,1_pInt,ip,el) = rhoDotAthermalAnnihilation(1:ns,9:10)
rhoDotThermalAnnihilationOutput(1:ns,1:2,1_pInt,ip,el) = rhoDotThermalAnnihilation(1:ns,9:10)
rhoDotEdgeJogsOutput(1:ns,1_pInt,ip,el) = 2.0_pReal * rhoDotThermalAnnihilation(1:ns,1)
endif
rhoDotFluxOutput(1:ns,1:8,1_pInt,ip,el) = rhoDotFlux(1:ns,1:8)
rhoDotMultiplicationOutput(1:ns,1:2,1_pInt,ip,el) = rhoDotMultiplication(1:ns,[1,3])
rhoDotSingle2DipoleGlideOutput(1:ns,1:2,1_pInt,ip,el) = rhoDotSingle2DipoleGlide(1:ns,9:10)
rhoDotAthermalAnnihilationOutput(1:ns,1:2,1_pInt,ip,el) = rhoDotAthermalAnnihilation(1:ns,9:10)
rhoDotThermalAnnihilationOutput(1:ns,1:2,1_pInt,ip,el) = rhoDotThermalAnnihilation(1:ns,9:10)
rhoDotEdgeJogsOutput(1:ns,1_pInt,ip,el) = 2.0_pReal * rhoDotThermalAnnihilation(1:ns,1)
#ifdef DEBUG