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DAMASK_EICMD
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Merge remote-tracking branch 'origin/development' into dislotwin-parameters

This commit is contained in:
Martin Diehl 2022-10-23 12:31:30 +02:00
parent 0c83245d4b 71c686b508
commit 7831aa5ce8
26 changed files with 364 additions and 963 deletions
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12
.github/workflows/Fortran.yml vendored
View File

@ -2,7 +2,7 @@ name: Grid and Mesh Solver
on: [push] on: [push]
env: env:
PETSC_VERSION: '3.17.1' PETSC_VERSION: '3.18.0'
HOMEBREW_NO_ANALYTICS: 'ON' # Make Homebrew installation a little quicker HOMEBREW_NO_ANALYTICS: 'ON' # Make Homebrew installation a little quicker
HOMEBREW_NO_AUTO_UPDATE: 'ON' HOMEBREW_NO_AUTO_UPDATE: 'ON'
HOMEBREW_NO_BOTTLE_SOURCE_FALLBACK: 'ON' HOMEBREW_NO_BOTTLE_SOURCE_FALLBACK: 'ON'
@ -158,7 +158,10 @@ jobs:
if: contains( matrix.intel_v, 'classic') if: contains( matrix.intel_v, 'classic')
run: | run: |
cd petsc-${PETSC_VERSION} cd petsc-${PETSC_VERSION}
./configure --with-fc=mpiifort --with-cc=mpiicc --with-cxx=mpiicpc \ ./configure \
--with-fc='mpiifort -fc=ifort -diag-disable=10441' \
--with-cc='mpiicc -cc=icc -diag-disable=10441' \
--with-cxx='mpiicpc -cxx=icpc -diag-disable=10441' \
--download-fftw --download-hdf5 --download-hdf5-fortran-bindings=1 --download-zlib --download-fftw --download-hdf5 --download-hdf5-fortran-bindings=1 --download-zlib
make all make all
@ -166,7 +169,10 @@ jobs:
if: contains( matrix.intel_v, 'llvm') if: contains( matrix.intel_v, 'llvm')
run: | run: |
cd petsc-${PETSC_VERSION} cd petsc-${PETSC_VERSION}
./configure --with-fc=mpiifort --with-cc="mpiicc -cc=icx" --with-cxx="mpiicpc -cxx=icpx" \ ./configure \
--with-fc='mpiifort -fc=ifx' \
--with-cc='mpiicc -cc=icx' \
--with-cxx='mpiicpc -cxx=icpx' \
--download-fftw --download-hdf5 --download-hdf5-fortran-bindings=1 --download-zlib --download-fftw --download-hdf5 --download-hdf5-fortran-bindings=1 --download-zlib
make all make all

9
.github/workflows/Python.yml vendored
View File

@ -24,7 +24,7 @@ jobs:
- name: Install dependencies - name: Install dependencies
run: | run: |
python -m pip install --upgrade pip python -m pip install --upgrade pip
pip install pytest pandas scipy h5py vtk matplotlib pyyaml pip install pytest pandas scipy h5py vtk matplotlib pyyaml build
- name: Strip git hash (Unix) - name: Strip git hash (Unix)
if: runner.os != 'Windows' if: runner.os != 'Windows'
@ -39,6 +39,13 @@ jobs:
$VERSION,$_ = $VERSION -Split '-g',2,"simplematch" $VERSION,$_ = $VERSION -Split '-g',2,"simplematch"
$VERSION | Out-File VERSION $VERSION | Out-File VERSION
- name: Build and Install
run: |
cd python
python -m build
python -m pip install dist/*.whl
python -c 'import damask;print(damask.__version__)'
- name: Install and run unit tests (Unix) - name: Install and run unit tests (Unix)
if: runner.os != 'Windows' if: runner.os != 'Windows'
run: | run: |

7
.gitlab-ci.yml
View File

@ -63,6 +63,13 @@ create_testroot:
################################################################################################### ###################################################################################################
setuptools:
stage: python
script:
- sed -i 's/-[[:digit:]]*-.*//' VERSION
- cd python
- python3 -m build --wheel --no-isolation
pytest: pytest:
stage: python stage: python
script: script:

2
CMakeLists.txt
View File

@ -11,7 +11,7 @@ endif()
project(Prerequisites LANGUAGES) project(Prerequisites LANGUAGES)
set(ENV{PKG_CONFIG_PATH} "$ENV{PETSC_DIR}/$ENV{PETSC_ARCH}/lib/pkgconfig:$ENV{PKG_CONFIG_PATH}") set(ENV{PKG_CONFIG_PATH} "$ENV{PETSC_DIR}/$ENV{PETSC_ARCH}/lib/pkgconfig:$ENV{PKG_CONFIG_PATH}")
pkg_check_modules(PETSC_MIN REQUIRED PETSc>=3.12.0 QUIET) #CMake does not support version range pkg_check_modules(PETSC_MIN REQUIRED PETSc>=3.12.0 QUIET) #CMake does not support version range
pkg_check_modules(PETSC REQUIRED PETSc<3.18.0) pkg_check_modules(PETSC REQUIRED PETSc<3.19.0)
pkg_get_variable(CMAKE_Fortran_COMPILER PETSc fcompiler) pkg_get_variable(CMAKE_Fortran_COMPILER PETSc fcompiler)
pkg_get_variable(CMAKE_C_COMPILER PETSc ccompiler) pkg_get_variable(CMAKE_C_COMPILER PETSc ccompiler)

2
PRIVATE

@ -1 +1 @@
Subproject commit 8c0a24006f355ce8d7602daa77a33348183a2bc7 Subproject commit 36c2fe3cde7fc1397ddd0fef71b2f4b40b72bba8

2
VERSION
View File

@ -1 +1 @@
3.0.0-alpha6-561-geb562ac41 3.0.0-alpha7-26-gb9f354a49

4
install/MarcMentat/2022.1/Marc_tools/comp_damask_hmp.patch vendored
View File

@ -32,7 +32,7 @@
$LOAD ${program} $DIR/lib/main.o\ $LOAD ${program} $DIR/lib/main.o\
@@ -33,9 +42,13 @@ echo "program: $program" @@ -33,9 +42,13 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
@ -46,4 +46,4 @@
/bin/rm $userobj /bin/rm $userobj
+ /bin/rm $DIRJOB/*.mod + /bin/rm $DIRJOB/*.mod
+ /bin/rm $DIRJOB/*.smod + /bin/rm $DIRJOB/*.smod
+ /bin/rm $DIRJOB/*_genmod.f90 + /bin/rm $DIRJOB/*_genmod.f90

4
install/MarcMentat/2022.1/Marc_tools/comp_damask_lmp.patch vendored
View File

@ -32,7 +32,7 @@
$LOAD ${program} $DIR/lib/main.o\ $LOAD ${program} $DIR/lib/main.o\
@@ -33,9 +42,13 @@ echo "program: $program" @@ -33,9 +42,13 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
@ -46,4 +46,4 @@
/bin/rm $userobj /bin/rm $userobj
+ /bin/rm $DIRJOB/*.mod + /bin/rm $DIRJOB/*.mod
+ /bin/rm $DIRJOB/*.smod + /bin/rm $DIRJOB/*.smod
+ /bin/rm $DIRJOB/*_genmod.f90 + /bin/rm $DIRJOB/*_genmod.f90

4
install/MarcMentat/2022.1/Marc_tools/comp_damask_mp.patch vendored
View File

@ -32,7 +32,7 @@
$LOAD ${program} $DIR/lib/main.o\ $LOAD ${program} $DIR/lib/main.o\
@@ -33,9 +42,13 @@ echo "program: $program" @@ -33,9 +42,13 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
@ -46,4 +46,4 @@
/bin/rm $userobj /bin/rm $userobj
+ /bin/rm $DIRJOB/*.mod + /bin/rm $DIRJOB/*.mod
+ /bin/rm $DIRJOB/*.smod + /bin/rm $DIRJOB/*.smod
+ /bin/rm $DIRJOB/*_genmod.f90 + /bin/rm $DIRJOB/*_genmod.f90

38
install/MarcMentat/2022.1/Marc_tools/include_linux64.patch vendored
View File

@ -1,6 +1,6 @@
--- ---
+++ +++
@@ -166,6 +166,11 @@ if test -n "$MSCCOSIM_HOME"; then @@ -166,6 +166,15 @@
MARC_COSIM_LIB="$MSCCOSIM_HOME/Cosim$MSCCOSIM_VERSION/Dcosim$MSCCOSIM_VERSION/lib" MARC_COSIM_LIB="$MSCCOSIM_HOME/Cosim$MSCCOSIM_VERSION/Dcosim$MSCCOSIM_VERSION/lib"
fi fi
@ -16,17 +16,7 @@
# AEM # AEM
if test "$MARCDLLOUTDIR" = ""; then if test "$MARCDLLOUTDIR" = ""; then
DLLOUTDIR="$MARC_LIB" DLLOUTDIR="$MARC_LIB"
@@ -477,8 +486,8 @@ if test "$MARC_INTEGER_SIZE" = "i4" ; then @@ -594,7 +603,7 @@
I8DEFINES=
I8CDEFINES=
else
- I8FFLAGS="-i8"
+ I8FFLAGS="-i8 -integer-size 64"
I8DEFINES="-DI64"
I8CDEFINES="-U_DOUBLE -D_SINGLE"
fi
@@ -594,7 +605,7 @@ then
PROFILE=" $PROFILE -pg" PROFILE=" $PROFILE -pg"
fi fi
@ -35,7 +25,7 @@
if test "$MTHREAD" = "OPENMP" if test "$MTHREAD" = "OPENMP"
then then
FORT_OPT=" $FORT_OPT -qopenmp" FORT_OPT=" $FORT_OPT -qopenmp"
@@ -607,7 +616,7 @@ else @@ -607,7 +616,7 @@
FORT_OPT=" $FORT_OPT -save -zero" FORT_OPT=" $FORT_OPT -save -zero"
fi fi
if test "$MARCHDF_HDF" = "HDF"; then if test "$MARCHDF_HDF" = "HDF"; then
@ -44,7 +34,7 @@
fi fi
FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \ FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
@@ -621,6 +630,29 @@ FORTNA="$FCOMP $FORT_OPT -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \ @@ -621,6 +630,29 @@
# for compiling free form f90 files. high opt, integer(4) # for compiling free form f90 files. high opt, integer(4)
FORTF90="$FCOMP -c -O3" FORTF90="$FCOMP -c -O3"
@ -74,7 +64,7 @@
if test "$MARCDEBUG" = "ON" if test "$MARCDEBUG" = "ON"
then then
FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \ FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
@@ -778,7 +806,7 @@ SECLIBS="-L$MARC_LIB -llapi" @@ -778,7 +810,7 @@
SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \ SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \
-L$MARC_MKL \ -L$MARC_MKL \
@ -83,21 +73,3 @@
SOLVERLIBS_DLL=${SOLVERLIBS} SOLVERLIBS_DLL=${SOLVERLIBS}
if test "$AEM_DLL" -eq 1 if test "$AEM_DLL" -eq 1
@@ -802,7 +830,7 @@ then
OPENSSL=NONE
fi
-SYSLIBS=" $OPENMP -lpthread -shared-intel -cxxlib $MARC_RPC_LIB"
+SYSLIBS=" $OPENMP -lpthread -cxxlib $MARC_RPC_LIB"
# Uncomment the following lines to turn on the trace and comment out the next 4 lines
# if test $MPITYPE = intelmpi
@@ -812,7 +840,7 @@ SYSLIBS=" $OPENMP -lpthread -shared-intel -cxxlib $MARC_RPC_LIB"
# 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 $MARC_RPC_LIB"
+ SYSLIBS="-L${MPI_ROOT}/lib/release -lmpi -L${MPI_ROOT}/lib -lmpifort -lrt $OPENMP -threads -lpthread -cxxlib $MARC_RPC_LIB"
fi
if test "$ZLIB" = "ZLIB"; then

271
install/MarcMentat/2022.1/Marc_tools/run_damask_hmp.patch vendored
View File

@ -1,6 +1,6 @@
--- ---
+++ +++
@@ -302,7 +302,23 @@ fi @@ -302,7 +302,23 @@
. "$DIR/getarch" . "$DIR/getarch"
@ -24,7 +24,7 @@
# #
# #
@@ -405,7 +421,7 @@ sid= @@ -405,7 +421,7 @@
did= did=
vid= vid=
user= user=
@ -33,16 +33,7 @@
objs= objs=
qid=background qid=background
cpu= cpu=
@@ -573,7 +589,7 @@ do @@ -676,50 +692,19 @@
justlist=yes
;;
-fe* | -FE*)
- feature=$value
+ feature=$value
;;
-pr* | -PR*)
@@ -676,50 +692,19 @@ do
esac esac
;; ;;
-u* | -U*) -u* | -U*)
@ -99,39 +90,7 @@
;; ;;
-obj | -OBJ) -obj | -OBJ)
objs="$value" objs="$value"
@@ -739,19 +724,19 @@ do @@ -1207,12 +1192,12 @@
;;
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
;;
@@ -1207,12 +1192,12 @@ post file $DIRPID/$pid.t16 or $DIRPID/$pid.t19 or $DIRPID/$pid.h5 not accessible
fi fi
fi fi
fi fi
@ -147,16 +106,7 @@
fi fi
fi fi
if test "$objs" if test "$objs"
@@ -1386,7 +1371,7 @@ else @@ -1531,7 +1516,7 @@
else
error="$error
job id required"
- fi
+fi
fi
case $qid in
@@ -1531,7 +1516,7 @@ Program name : $prog
Marc shared lib : $progdll Marc shared lib : $progdll
Version type : $mode Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info Job ID : $DIRJID/$jid$extra_job_info
@ -165,7 +115,7 @@
User objects/libs : $objs User objects/libs : $objs
Restart file job ID : $rid Restart file job ID : $rid
Substructure file ID : $sid Substructure file ID : $sid
@@ -1564,7 +1549,7 @@ Program name : $prog @@ -1564,7 +1549,7 @@
Marc shared lib : $progdll Marc shared lib : $progdll
Version type : $mode Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info Job ID : $DIRJID/$jid$extra_job_info
@ -174,7 +124,7 @@
User objects/libs : $objs User objects/libs : $objs
Restart file job ID : $rid Restart file job ID : $rid
Substructure file ID : $sid Substructure file ID : $sid
@@ -1687,7 +1672,7 @@ Program name ($prog)? $ECHOTXT" @@ -1687,7 +1672,7 @@
;; ;;
esac esac
fi fi
@ -183,7 +133,7 @@
read value read value
if test "$value" if test "$value"
then then
@@ -1696,50 +1681,19 @@ Program name ($prog)? $ECHOTXT" @@ -1696,50 +1681,19 @@
user= user=
;; ;;
*) *)
@ -209,16 +159,13 @@
- fi - fi
+ user=$value + user=$value
case $user in case $user in
- \/*) \/*)
- ;; ;;
- *) *)
+ \/*)
+ ;;
+ *)
user=`pwd`/$user user=`pwd`/$user
- usersubname=`pwd`/$usersubname - usersubname=`pwd`/$usersubname
- ;; ;;
- esac esac
- if test ! -f $usersubname - if test ! -f $usersubname
- then - then
- if test -f $usersubname.f - if test -f $usersubname.f
@ -235,8 +182,6 @@
- usersubname=$usersubname.F90 - usersubname=$usersubname.F90
- fi - fi
- fi - fi
+ ;;
+ esac
+ usernoext=$user + usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` + usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` + usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
@ -245,7 +190,7 @@
;; ;;
esac esac
fi fi
@@ -2274,11 +2228,12 @@ fi @@ -2274,11 +2228,12 @@
# #
# user subroutine used # user subroutine used
# #
@ -260,7 +205,7 @@
case $program in case $program in
\/* | \.\/*) \/* | \.\/*)
bd= bd=
@@ -2391,7 +2346,7 @@ fi @@ -2391,7 +2346,7 @@
fi fi
if test "$user" if test "$user"
then then
@ -269,7 +214,7 @@
usersub=1 usersub=1
fi fi
export execpath export execpath
@@ -3274,44 +3229,27 @@ then @@ -3274,44 +3229,27 @@
echo echo
if test "$user" if test "$user"
then then
@ -319,21 +264,15 @@
fi fi
@@ -3331,10 +3269,11 @@ then @@ -3331,6 +3269,7 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
- $SFLIB \
+ $DAMASK \ + $DAMASK \
+ $SFLIB \ $SFLIB \
$OPENSSL_LIB \ $OPENSSL_LIB \
$SYSLIBS \ $SYSLIBS \
- $SECLIBS || \ @@ -3344,6 +3283,9 @@
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
exit 1
@@ -3344,6 +3283,9 @@ else
prgsav=yes prgsav=yes
fi fi
/bin/rm $userobj 2>/dev/null /bin/rm $userobj 2>/dev/null
@ -343,7 +282,7 @@
# #
# run marc # run marc
@@ -3390,7 +3332,7 @@ if test $dllrun -eq 0; then @@ -3390,7 +3332,7 @@
fi fi
else else
if test $cpdll = yes; then if test $cpdll = yes; then
@ -352,7 +291,7 @@
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi fi
if test $rmdll = yes if test $rmdll = yes
@@ -3556,7 +3498,7 @@ then @@ -3556,7 +3498,7 @@
# first copy over the user sub if local directories # first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local" if test ${dirstatus[$counter]} = "local"
then then
@ -361,7 +300,7 @@
fi fi
# do the compilation on the other machine # do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared" if test ${dirstatus[$counter]} = "shared"
@@ -3569,21 +3511,21 @@ then @@ -3569,21 +3511,21 @@
remoteuser=$DIR1/`$BASENAME $user` remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null $RSH $i /bin/rm $remoteprog 2> /dev/null
echo echo
@ -386,7 +325,7 @@
fi fi
fi fi
fi fi
@@ -3593,39 +3535,27 @@ then @@ -3593,39 +3535,27 @@
if test "$userhost" if test "$userhost"
then then
echo echo
@ -432,21 +371,15 @@
fi # if test $user fi # if test $user
@@ -3645,10 +3575,11 @@ then @@ -3645,6 +3575,7 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
- $SFLIB \
+ $DAMASK \ + $DAMASK \
+ $SFLIB \ $SFLIB \
$OPENSSL_LIB \ $OPENSSL_LIB \
$SYSLIBS \ $SYSLIBS \
- $SECLIBS || \ @@ -3686,6 +3617,9 @@
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
echo " $PRODUCT Exit number 3"
@@ -3686,6 +3617,9 @@ else # if test $link
prgsav=yes prgsav=yes
fi # if test $link fi # if test $link
/bin/rm $userobj 2>/dev/null /bin/rm $userobj 2>/dev/null
@ -456,69 +389,7 @@
# #
# run marc # run marc
@@ -3744,42 +3678,42 @@ then @@ -3779,7 +3713,7 @@
counter=0
if test -f "$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 else
#dllrun >0 #dllrun >0
if test $cpdll = yes; then if test $cpdll = yes; then
@ -527,7 +398,7 @@
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi fi
if test $rmdll = yes;then if test $rmdll = yes;then
@@ -3904,7 +3838,7 @@ then @@ -3904,7 +3838,7 @@
# first copy over the user sub if local directories # first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local" if test ${dirstatus[$counter]} = "local"
then then
@ -536,7 +407,7 @@
fi fi
# do the compilation on the other machine # do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared" if test ${dirstatus[$counter]} = "shared"
@@ -3917,20 +3851,20 @@ then @@ -3917,20 +3851,20 @@
remoteuser=$DIR1/`$BASENAME $user` remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null $RSH $i /bin/rm $remoteprog 2> /dev/null
echo echo
@ -560,7 +431,7 @@
fi fi
fi fi
fi fi
@@ -3940,37 +3874,25 @@ then @@ -3940,37 +3874,25 @@
if test "$userhost" if test "$userhost"
then then
echo echo
@ -604,7 +475,7 @@
fi # if test $user fi # if test $user
@@ -3990,10 +3912,11 @@ then @@ -3990,6 +3912,7 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
@ -612,12 +483,7 @@
$SFLIB \ $SFLIB \
$OPENSSL_LIB \ $OPENSSL_LIB \
$SYSLIBS \ $SYSLIBS \
- $SECLIBS || \ @@ -4030,7 +3953,9 @@
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
exit 1
@@ -4030,7 +3953,9 @@ else # if test $link
prgsav=yes prgsav=yes
fi # if test $link fi # if test $link
/bin/rm $userobj 2>/dev/null /bin/rm $userobj 2>/dev/null
@ -628,78 +494,7 @@
# done if no job id given # done if no job id given
if test -z "$jid" if test -z "$jid"
then then
@@ -4070,7 +3995,7 @@ if test $ddm_arc -gt 0; then @@ -4149,7 +4074,7 @@
RUN_JOB="$BINDIR/exeddm $RUN_JOB -ddm $ddm_arc "
fi
-$RUN_JOB
+ $RUN_JOB
if test $nprocd -gt 1
then
@@ -4114,42 +4039,42 @@ then
counter=0
if test -f "$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 else
#dllrun >0 #dllrun >0
if test $cpdll = yes; then if test $cpdll = yes; then

271
install/MarcMentat/2022.1/Marc_tools/run_damask_lmp.patch vendored
View File

@ -1,6 +1,6 @@
--- ---
+++ +++
@@ -302,7 +302,23 @@ fi @@ -302,7 +302,23 @@
. "$DIR/getarch" . "$DIR/getarch"
@ -24,7 +24,7 @@
# #
# #
@@ -405,7 +421,7 @@ sid= @@ -405,7 +421,7 @@
did= did=
vid= vid=
user= user=
@ -33,16 +33,7 @@
objs= objs=
qid=background qid=background
cpu= cpu=
@@ -573,7 +589,7 @@ do @@ -676,50 +692,19 @@
justlist=yes
;;
-fe* | -FE*)
- feature=$value
+ feature=$value
;;
-pr* | -PR*)
@@ -676,50 +692,19 @@ do
esac esac
;; ;;
-u* | -U*) -u* | -U*)
@ -99,39 +90,7 @@
;; ;;
-obj | -OBJ) -obj | -OBJ)
objs="$value" objs="$value"
@@ -739,19 +724,19 @@ do @@ -1207,12 +1192,12 @@
;;
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
;;
@@ -1207,12 +1192,12 @@ post file $DIRPID/$pid.t16 or $DIRPID/$pid.t19 or $DIRPID/$pid.h5 not accessible
fi fi
fi fi
fi fi
@ -147,16 +106,7 @@
fi fi
fi fi
if test "$objs" if test "$objs"
@@ -1386,7 +1371,7 @@ else @@ -1531,7 +1516,7 @@
else
error="$error
job id required"
- fi
+fi
fi
case $qid in
@@ -1531,7 +1516,7 @@ Program name : $prog
Marc shared lib : $progdll Marc shared lib : $progdll
Version type : $mode Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info Job ID : $DIRJID/$jid$extra_job_info
@ -165,7 +115,7 @@
User objects/libs : $objs User objects/libs : $objs
Restart file job ID : $rid Restart file job ID : $rid
Substructure file ID : $sid Substructure file ID : $sid
@@ -1564,7 +1549,7 @@ Program name : $prog @@ -1564,7 +1549,7 @@
Marc shared lib : $progdll Marc shared lib : $progdll
Version type : $mode Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info Job ID : $DIRJID/$jid$extra_job_info
@ -174,7 +124,7 @@
User objects/libs : $objs User objects/libs : $objs
Restart file job ID : $rid Restart file job ID : $rid
Substructure file ID : $sid Substructure file ID : $sid
@@ -1687,7 +1672,7 @@ Program name ($prog)? $ECHOTXT" @@ -1687,7 +1672,7 @@
;; ;;
esac esac
fi fi
@ -183,7 +133,7 @@
read value read value
if test "$value" if test "$value"
then then
@@ -1696,50 +1681,19 @@ Program name ($prog)? $ECHOTXT" @@ -1696,50 +1681,19 @@
user= user=
;; ;;
*) *)
@ -209,16 +159,13 @@
- fi - fi
+ user=$value + user=$value
case $user in case $user in
- \/*) \/*)
- ;; ;;
- *) *)
+ \/*)
+ ;;
+ *)
user=`pwd`/$user user=`pwd`/$user
- usersubname=`pwd`/$usersubname - usersubname=`pwd`/$usersubname
- ;; ;;
- esac esac
- if test ! -f $usersubname - if test ! -f $usersubname
- then - then
- if test -f $usersubname.f - if test -f $usersubname.f
@ -235,8 +182,6 @@
- usersubname=$usersubname.F90 - usersubname=$usersubname.F90
- fi - fi
- fi - fi
+ ;;
+ esac
+ usernoext=$user + usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` + usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` + usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
@ -245,7 +190,7 @@
;; ;;
esac esac
fi fi
@@ -2274,11 +2228,12 @@ fi @@ -2274,11 +2228,12 @@
# #
# user subroutine used # user subroutine used
# #
@ -260,7 +205,7 @@
case $program in case $program in
\/* | \.\/*) \/* | \.\/*)
bd= bd=
@@ -2391,7 +2346,7 @@ fi @@ -2391,7 +2346,7 @@
fi fi
if test "$user" if test "$user"
then then
@ -269,7 +214,7 @@
usersub=1 usersub=1
fi fi
export execpath export execpath
@@ -3274,44 +3229,27 @@ then @@ -3274,44 +3229,27 @@
echo echo
if test "$user" if test "$user"
then then
@ -319,21 +264,15 @@
fi fi
@@ -3331,10 +3269,11 @@ then @@ -3331,6 +3269,7 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
- $SFLIB \
+ $DAMASK \ + $DAMASK \
+ $SFLIB \ $SFLIB \
$OPENSSL_LIB \ $OPENSSL_LIB \
$SYSLIBS \ $SYSLIBS \
- $SECLIBS || \ @@ -3344,6 +3283,9 @@
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
exit 1
@@ -3344,6 +3283,9 @@ else
prgsav=yes prgsav=yes
fi fi
/bin/rm $userobj 2>/dev/null /bin/rm $userobj 2>/dev/null
@ -343,7 +282,7 @@
# #
# run marc # run marc
@@ -3390,7 +3332,7 @@ if test $dllrun -eq 0; then @@ -3390,7 +3332,7 @@
fi fi
else else
if test $cpdll = yes; then if test $cpdll = yes; then
@ -352,7 +291,7 @@
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi fi
if test $rmdll = yes if test $rmdll = yes
@@ -3556,7 +3498,7 @@ then @@ -3556,7 +3498,7 @@
# first copy over the user sub if local directories # first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local" if test ${dirstatus[$counter]} = "local"
then then
@ -361,7 +300,7 @@
fi fi
# do the compilation on the other machine # do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared" if test ${dirstatus[$counter]} = "shared"
@@ -3569,21 +3511,21 @@ then @@ -3569,21 +3511,21 @@
remoteuser=$DIR1/`$BASENAME $user` remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null $RSH $i /bin/rm $remoteprog 2> /dev/null
echo echo
@ -386,7 +325,7 @@
fi fi
fi fi
fi fi
@@ -3593,39 +3535,27 @@ then @@ -3593,39 +3535,27 @@
if test "$userhost" if test "$userhost"
then then
echo echo
@ -432,21 +371,15 @@
fi # if test $user fi # if test $user
@@ -3645,10 +3575,11 @@ then @@ -3645,6 +3575,7 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
- $SFLIB \
+ $DAMASK \ + $DAMASK \
+ $SFLIB \ $SFLIB \
$OPENSSL_LIB \ $OPENSSL_LIB \
$SYSLIBS \ $SYSLIBS \
- $SECLIBS || \ @@ -3686,6 +3617,9 @@
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
echo " $PRODUCT Exit number 3"
@@ -3686,6 +3617,9 @@ else # if test $link
prgsav=yes prgsav=yes
fi # if test $link fi # if test $link
/bin/rm $userobj 2>/dev/null /bin/rm $userobj 2>/dev/null
@ -456,69 +389,7 @@
# #
# run marc # run marc
@@ -3744,42 +3678,42 @@ then @@ -3779,7 +3713,7 @@
counter=0
if test -f "$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 else
#dllrun >0 #dllrun >0
if test $cpdll = yes; then if test $cpdll = yes; then
@ -527,7 +398,7 @@
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi fi
if test $rmdll = yes;then if test $rmdll = yes;then
@@ -3904,7 +3838,7 @@ then @@ -3904,7 +3838,7 @@
# first copy over the user sub if local directories # first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local" if test ${dirstatus[$counter]} = "local"
then then
@ -536,7 +407,7 @@
fi fi
# do the compilation on the other machine # do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared" if test ${dirstatus[$counter]} = "shared"
@@ -3917,20 +3851,20 @@ then @@ -3917,20 +3851,20 @@
remoteuser=$DIR1/`$BASENAME $user` remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null $RSH $i /bin/rm $remoteprog 2> /dev/null
echo echo
@ -560,7 +431,7 @@
fi fi
fi fi
fi fi
@@ -3940,37 +3874,25 @@ then @@ -3940,37 +3874,25 @@
if test "$userhost" if test "$userhost"
then then
echo echo
@ -604,7 +475,7 @@
fi # if test $user fi # if test $user
@@ -3990,10 +3912,11 @@ then @@ -3990,6 +3912,7 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
@ -612,12 +483,7 @@
$SFLIB \ $SFLIB \
$OPENSSL_LIB \ $OPENSSL_LIB \
$SYSLIBS \ $SYSLIBS \
- $SECLIBS || \ @@ -4030,7 +3953,9 @@
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
exit 1
@@ -4030,7 +3953,9 @@ else # if test $link
prgsav=yes prgsav=yes
fi # if test $link fi # if test $link
/bin/rm $userobj 2>/dev/null /bin/rm $userobj 2>/dev/null
@ -628,78 +494,7 @@
# done if no job id given # done if no job id given
if test -z "$jid" if test -z "$jid"
then then
@@ -4070,7 +3995,7 @@ if test $ddm_arc -gt 0; then @@ -4149,7 +4074,7 @@
RUN_JOB="$BINDIR/exeddm $RUN_JOB -ddm $ddm_arc "
fi
-$RUN_JOB
+ $RUN_JOB
if test $nprocd -gt 1
then
@@ -4114,42 +4039,42 @@ then
counter=0
if test -f "$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 else
#dllrun >0 #dllrun >0
if test $cpdll = yes; then if test $cpdll = yes; then

311
install/MarcMentat/2022.1/Marc_tools/run_damask_mp.patch vendored
View File

@ -1,8 +1,6 @@
diff --git "a/C:\\Users\\f.roters\\Documents\\Forschung\\FEM\\Kristallplastizit\303\244t\\Programme\\Userroutinen\\Marc\\Marc_mods\\2022.1\\Marc_tools\\run_marc.original" "b/C:\\Users\\f.roters\\Documents\\Forschung\\FEM\\Kristallplastizit\303\244t\\Programme\\Userroutinen\\Marc\\Marc_mods\\2022.1\\Marc_tools\\run_damask_mp" ---
index 88a3027..85beabe 100644 +++
--- "a/C:\\Users\\f.roters\\Documents\\Forschung\\FEM\\Kristallplastizit\303\244t\\Programme\\Userroutinen\\Marc\\Marc_mods\\2022.1\\Marc_tools\\run_marc.original" @@ -302,7 +302,23 @@
+++ "b/C:\\Users\\f.roters\\Documents\\Forschung\\FEM\\Kristallplastizit\303\244t\\Programme\\Userroutinen\\Marc\\Marc_mods\\2022.1\\Marc_tools\\run_damask_mp"
@@ -302,7 +302,23 @@ fi
. "$DIR/getarch" . "$DIR/getarch"
@ -26,7 +24,7 @@ index 88a3027..85beabe 100644
# #
# #
@@ -405,7 +421,7 @@ sid= @@ -405,7 +421,7 @@
did= did=
vid= vid=
user= user=
@ -35,16 +33,7 @@ index 88a3027..85beabe 100644
objs= objs=
qid=background qid=background
cpu= cpu=
@@ -573,7 +589,7 @@ do @@ -676,50 +692,19 @@
justlist=yes
;;
-fe* | -FE*)
- feature=$value
+ feature=$value
;;
-pr* | -PR*)
@@ -676,50 +692,19 @@ do
esac esac
;; ;;
-u* | -U*) -u* | -U*)
@ -101,39 +90,7 @@ index 88a3027..85beabe 100644
;; ;;
-obj | -OBJ) -obj | -OBJ)
objs="$value" objs="$value"
@@ -739,19 +724,19 @@ do @@ -1207,12 +1192,12 @@
;;
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
;;
@@ -1207,12 +1192,12 @@ post file $DIRPID/$pid.t16 or $DIRPID/$pid.t19 or $DIRPID/$pid.h5 not accessible
fi fi
fi fi
fi fi
@ -149,16 +106,7 @@ index 88a3027..85beabe 100644
fi fi
fi fi
if test "$objs" if test "$objs"
@@ -1386,7 +1371,7 @@ else @@ -1531,7 +1516,7 @@
else
error="$error
job id required"
- fi
+fi
fi
case $qid in
@@ -1531,7 +1516,7 @@ Program name : $prog
Marc shared lib : $progdll Marc shared lib : $progdll
Version type : $mode Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info Job ID : $DIRJID/$jid$extra_job_info
@ -167,16 +115,7 @@ index 88a3027..85beabe 100644
User objects/libs : $objs User objects/libs : $objs
Restart file job ID : $rid Restart file job ID : $rid
Substructure file ID : $sid Substructure file ID : $sid
@@ -1548,8 +1533,6 @@ GPGPU option : $gpuids @@ -1564,7 +1549,7 @@
Host file name : $host" > $jid.log
if test "$iprintsimufact" = true ; then
echo "DDM with ARC Mapper : $ddm_arc" >> $jid.log
- echo "Mapper directory : $MESHERDIR" >> $jid.log
- echo "Meshing directory : $MESHERDIR" >> $jid.log
fi
echo \
"Message passing type : $itree
@@ -1564,7 +1547,7 @@ Program name : $prog
Marc shared lib : $progdll Marc shared lib : $progdll
Version type : $mode Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info Job ID : $DIRJID/$jid$extra_job_info
@ -185,16 +124,7 @@ index 88a3027..85beabe 100644
User objects/libs : $objs User objects/libs : $objs
Restart file job ID : $rid Restart file job ID : $rid
Substructure file ID : $sid Substructure file ID : $sid
@@ -1579,6 +1562,8 @@ Solver processes : $nsolverprint @@ -1687,7 +1672,7 @@
Solver threads : $ntsprint"
if test "$iprintsimufact" = true ; then
echo "DDM with ARC Mapper : $ddm_arc"
+ echo "Mapper directory : $MESHERDIR" >> $jid.log
+ echo "Meshing directory : $MESHERDIR" >> $jid.log
fi
echo \
"GPGPU option : $gpuids
@@ -1687,7 +1672,7 @@ Program name ($prog)? $ECHOTXT"
;; ;;
esac esac
fi fi
@ -203,7 +133,7 @@ index 88a3027..85beabe 100644
read value read value
if test "$value" if test "$value"
then then
@@ -1696,50 +1681,19 @@ Program name ($prog)? $ECHOTXT" @@ -1696,50 +1681,19 @@
user= user=
;; ;;
*) *)
@ -229,16 +159,13 @@ index 88a3027..85beabe 100644
- fi - fi
+ user=$value + user=$value
case $user in case $user in
- \/*) \/*)
- ;; ;;
- *) *)
+ \/*)
+ ;;
+ *)
user=`pwd`/$user user=`pwd`/$user
- usersubname=`pwd`/$usersubname - usersubname=`pwd`/$usersubname
- ;; ;;
- esac esac
- if test ! -f $usersubname - if test ! -f $usersubname
- then - then
- if test -f $usersubname.f - if test -f $usersubname.f
@ -255,8 +182,6 @@ index 88a3027..85beabe 100644
- usersubname=$usersubname.F90 - usersubname=$usersubname.F90
- fi - fi
- fi - fi
+ ;;
+ esac
+ usernoext=$user + usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` + usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` + usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
@ -265,7 +190,7 @@ index 88a3027..85beabe 100644
;; ;;
esac esac
fi fi
@@ -2274,11 +2228,12 @@ fi @@ -2274,11 +2228,12 @@
# #
# user subroutine used # user subroutine used
# #
@ -280,7 +205,7 @@ index 88a3027..85beabe 100644
case $program in case $program in
\/* | \.\/*) \/* | \.\/*)
bd= bd=
@@ -2391,7 +2346,7 @@ fi @@ -2391,7 +2346,7 @@
fi fi
if test "$user" if test "$user"
then then
@ -289,7 +214,7 @@ index 88a3027..85beabe 100644
usersub=1 usersub=1
fi fi
export execpath export execpath
@@ -3274,44 +3229,27 @@ then @@ -3274,44 +3229,27 @@
echo echo
if test "$user" if test "$user"
then then
@ -315,7 +240,7 @@ index 88a3027..85beabe 100644
if test $MACHINENAME = "CRAY" if test $MACHINENAME = "CRAY"
then then
- $FORTRAN $usersub || \ - $FORTRAN $usersub || \
+ $DFORTRANMP $user || \ + $DFORTHIGHMP $user || \
{ {
- echo "$0: compile failed for $user.f" - echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user" + echo "$0: compile failed for $user"
@ -324,7 +249,7 @@ index 88a3027..85beabe 100644
/bin/rm $program 2>/dev/null /bin/rm $program 2>/dev/null
else else
- $FORTRAN $usersub -o $userobj || \ - $FORTRAN $usersub -o $userobj || \
+ $DFORTRANMP $user -o $userobj || \ + $DFORTHIGHMP $user -o $userobj || \
{ {
- echo "$0: compile failed for $user.f" - echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user" + echo "$0: compile failed for $user"
@ -339,21 +264,15 @@ index 88a3027..85beabe 100644
fi fi
@@ -3331,10 +3269,11 @@ then @@ -3331,6 +3269,7 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
- $SFLIB \
+ $DAMASK \ + $DAMASK \
+ $SFLIB \ $SFLIB \
$OPENSSL_LIB \ $OPENSSL_LIB \
$SYSLIBS \ $SYSLIBS \
- $SECLIBS || \ @@ -3344,6 +3283,9 @@
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
exit 1
@@ -3344,6 +3283,9 @@ else
prgsav=yes prgsav=yes
fi fi
/bin/rm $userobj 2>/dev/null /bin/rm $userobj 2>/dev/null
@ -363,7 +282,7 @@ index 88a3027..85beabe 100644
# #
# run marc # run marc
@@ -3390,7 +3332,7 @@ if test $dllrun -eq 0; then @@ -3390,7 +3332,7 @@
fi fi
else else
if test $cpdll = yes; then if test $cpdll = yes; then
@ -372,7 +291,7 @@ index 88a3027..85beabe 100644
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi fi
if test $rmdll = yes if test $rmdll = yes
@@ -3556,7 +3498,7 @@ then @@ -3556,7 +3498,7 @@
# first copy over the user sub if local directories # first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local" if test ${dirstatus[$counter]} = "local"
then then
@ -381,12 +300,12 @@ index 88a3027..85beabe 100644
fi fi
# do the compilation on the other machine # do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared" if test ${dirstatus[$counter]} = "shared"
@@ -3569,21 +3511,21 @@ then @@ -3569,21 +3511,21 @@
remoteuser=$DIR1/`$BASENAME $user` remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null $RSH $i /bin/rm $remoteprog 2> /dev/null
echo echo
- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog - $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog
+ $RSH $i $DIR2/tools/comp_damask_mp $DIR2 $DIR1 $remoteuser $remoteprog + $RSH $i $DIR2/tools/comp_damask_hmp $DIR2 $DIR1 $remoteuser $remoteprog
# check if successful, the new executable should be there # check if successful, the new executable should be there
line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` line=`$RSH $i /bin/ls $remoteprog 2> /dev/null`
if test "$line" if test "$line"
@ -406,7 +325,7 @@ index 88a3027..85beabe 100644
fi fi
fi fi
fi fi
@@ -3593,39 +3535,27 @@ then @@ -3593,39 +3535,27 @@
if test "$userhost" if test "$userhost"
then then
echo echo
@ -426,7 +345,7 @@ index 88a3027..85beabe 100644
if test $MACHINENAME = "CRAY" if test $MACHINENAME = "CRAY"
then then
- $FORTRAN $usersub || \ - $FORTRAN $usersub || \
+ $DFORTRANMP $user || \ + $DFORTHIGHMP $user || \
{ {
- echo "$0: compile failed for $user.f" - echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user" + echo "$0: compile failed for $user"
@ -436,7 +355,7 @@ index 88a3027..85beabe 100644
/bin/rm $program 2>/dev/null /bin/rm $program 2>/dev/null
else else
- $FORTRAN $usersub -o $userobj || \ - $FORTRAN $usersub -o $userobj || \
+ $DFORTRANMP $user -o $userobj || \ + $DFORTHIGHMP $user -o $userobj || \
{ {
- echo "$0: compile failed for $user.f" - echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user" + echo "$0: compile failed for $user"
@ -452,21 +371,15 @@ index 88a3027..85beabe 100644
fi # if test $user fi # if test $user
@@ -3645,10 +3575,11 @@ then @@ -3645,6 +3575,7 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
- $SFLIB \
+ $DAMASK \ + $DAMASK \
+ $SFLIB \ $SFLIB \
$OPENSSL_LIB \ $OPENSSL_LIB \
$SYSLIBS \ $SYSLIBS \
- $SECLIBS || \ @@ -3686,6 +3617,9 @@
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
echo " $PRODUCT Exit number 3"
@@ -3686,6 +3617,9 @@ else # if test $link
prgsav=yes prgsav=yes
fi # if test $link fi # if test $link
/bin/rm $userobj 2>/dev/null /bin/rm $userobj 2>/dev/null
@ -476,69 +389,7 @@ index 88a3027..85beabe 100644
# #
# run marc # run marc
@@ -3744,42 +3678,42 @@ then @@ -3779,7 +3713,7 @@
counter=0
if test -f "$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 else
#dllrun >0 #dllrun >0
if test $cpdll = yes; then if test $cpdll = yes; then
@ -547,7 +398,7 @@ index 88a3027..85beabe 100644
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi fi
if test $rmdll = yes;then if test $rmdll = yes;then
@@ -3904,7 +3838,7 @@ then @@ -3904,7 +3838,7 @@
# first copy over the user sub if local directories # first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local" if test ${dirstatus[$counter]} = "local"
then then
@ -556,12 +407,12 @@ index 88a3027..85beabe 100644
fi fi
# do the compilation on the other machine # do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared" if test ${dirstatus[$counter]} = "shared"
@@ -3917,20 +3851,20 @@ then @@ -3917,20 +3851,20 @@
remoteuser=$DIR1/`$BASENAME $user` remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null $RSH $i /bin/rm $remoteprog 2> /dev/null
echo echo
- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog - $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog
+ $RSH $i $DIR2/tools/comp_damask_mp $DIR2 $DIR1 $remoteuser $remoteprog + $RSH $i $DIR2/tools/comp_damask_hmp $DIR2 $DIR1 $remoteuser $remoteprog
# check if successful, the new executable should be there # check if successful, the new executable should be there
line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` line=`$RSH $i /bin/ls $remoteprog 2> /dev/null`
if test "$line" if test "$line"
@ -580,7 +431,7 @@ index 88a3027..85beabe 100644
fi fi
fi fi
fi fi
@@ -3940,37 +3874,25 @@ then @@ -3940,37 +3874,25 @@
if test "$userhost" if test "$userhost"
then then
echo echo
@ -600,7 +451,7 @@ index 88a3027..85beabe 100644
if test $MACHINENAME = "CRAY" if test $MACHINENAME = "CRAY"
then then
- $FORTRAN $usersub || \ - $FORTRAN $usersub || \
+ $DFORTRANMP $user || \ + $DFORTHIGHMP $user || \
{ {
- echo "$0: compile failed for $user.f" - echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user" + echo "$0: compile failed for $user"
@ -609,7 +460,7 @@ index 88a3027..85beabe 100644
/bin/rm $program 2>/dev/null /bin/rm $program 2>/dev/null
else else
- $FORTRAN $usersub -o $userobj || \ - $FORTRAN $usersub -o $userobj || \
+ $DFORTRANMP $user -o $userobj || \ + $DFORTHIGHMP $user -o $userobj || \
{ {
- echo "$0: compile failed for $user.f" - echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user" + echo "$0: compile failed for $user"
@ -624,7 +475,7 @@ index 88a3027..85beabe 100644
fi # if test $user fi # if test $user
@@ -3990,10 +3912,11 @@ then @@ -3990,6 +3912,7 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
@ -632,12 +483,7 @@ index 88a3027..85beabe 100644
$SFLIB \ $SFLIB \
$OPENSSL_LIB \ $OPENSSL_LIB \
$SYSLIBS \ $SYSLIBS \
- $SECLIBS || \ @@ -4030,7 +3953,9 @@
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
exit 1
@@ -4030,7 +3953,9 @@ else # if test $link
prgsav=yes prgsav=yes
fi # if test $link fi # if test $link
/bin/rm $userobj 2>/dev/null /bin/rm $userobj 2>/dev/null
@ -648,78 +494,7 @@ index 88a3027..85beabe 100644
# done if no job id given # done if no job id given
if test -z "$jid" if test -z "$jid"
then then
@@ -4070,7 +3995,7 @@ if test $ddm_arc -gt 0; then @@ -4149,7 +4074,7 @@
RUN_JOB="$BINDIR/exeddm $RUN_JOB -ddm $ddm_arc "
fi
-$RUN_JOB
+ $RUN_JOB
if test $nprocd -gt 1
then
@@ -4114,42 +4039,42 @@ then
counter=0
if test -f "$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 else
#dllrun >0 #dllrun >0
if test $cpdll = yes; then if test $cpdll = yes; then

6
install/MarcMentat/2022.1/Mentat_bin/submit4.patch vendored
View File

@ -1,6 +1,6 @@
--- ---
+++ +++
@@ -63,10 +64,10 @@ doe_nparallel=$6 @@ -63,10 +63,10 @@
if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then
slv="-iam sfm" slv="-iam sfm"
fi fi
@ -13,7 +13,7 @@
slv="-iam datfit" slv="-iam datfit"
fi fi
@@ -91,6 +92,7 @@ if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then @@ -91,6 +91,7 @@
srcfile="-u $srcfile -save y" srcfile="-u $srcfile -save y"
;; ;;
runsaved) runsaved)
@ -21,7 +21,7 @@
srcfile="-prog $srcfile" srcfile="-prog $srcfile"
;; ;;
esac esac
@@ -189,12 +191,12 @@ unset PYTHONHOME @@ -189,12 +190,12 @@
unset PYTHONPATH unset PYTHONPATH
if [ "$doe_first" = "-" ]; then # submit of regular Marc job if [ "$doe_first" = "-" ]; then # submit of regular Marc job

6
install/MarcMentat/2022.1/Mentat_bin/submit5.patch vendored
View File

@ -1,6 +1,6 @@
--- ---
+++ +++
@@ -63,10 +64,10 @@ doe_nparallel=$6 @@ -63,10 +63,10 @@
if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then
slv="-iam sfm" slv="-iam sfm"
fi fi
@ -13,7 +13,7 @@
slv="-iam datfit" slv="-iam datfit"
fi fi
@@ -91,6 +92,7 @@ if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then @@ -91,6 +91,7 @@
srcfile="-u $srcfile -save y" srcfile="-u $srcfile -save y"
;; ;;
runsaved) runsaved)
@ -21,7 +21,7 @@
srcfile="-prog $srcfile" srcfile="-prog $srcfile"
;; ;;
esac esac
@@ -189,12 +191,12 @@ unset PYTHONHOME @@ -189,12 +190,12 @@
unset PYTHONPATH unset PYTHONPATH
if [ "$doe_first" = "-" ]; then # submit of regular Marc job if [ "$doe_first" = "-" ]; then # submit of regular Marc job

6
install/MarcMentat/2022.1/Mentat_bin/submit6.patch vendored
View File

@ -1,6 +1,6 @@
--- ---
+++ +++
@@ -63,10 +64,10 @@ doe_nparallel=$6 @@ -63,10 +63,10 @@
if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then
slv="-iam sfm" slv="-iam sfm"
fi fi
@ -13,7 +13,7 @@
slv="-iam datfit" slv="-iam datfit"
fi fi
@@ -91,6 +92,7 @@ if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then @@ -91,6 +91,7 @@
srcfile="-u $srcfile -save y" srcfile="-u $srcfile -save y"
;; ;;
runsaved) runsaved)
@ -21,7 +21,7 @@
srcfile="-prog $srcfile" srcfile="-prog $srcfile"
;; ;;
esac esac
@@ -189,12 +191,12 @@ unset PYTHONHOME @@ -189,12 +190,12 @@
unset PYTHONPATH unset PYTHONPATH
if [ "$doe_first" = "-" ]; then # submit of regular Marc job if [ "$doe_first" = "-" ]; then # submit of regular Marc job

15
install/MarcMentat/2022.1/Mentat_menus/job_run.ms.patch vendored
View File

@ -1,6 +1,6 @@
--- ---
+++ +++
@@ -261,11 +261,18 @@ popmenu job_run_popmenu { @@ -261,12 +261,19 @@
} }
button { button {
position +25 = position +25 =
@ -10,21 +10,21 @@
help "job_run#Job Submission And Control" help "job_run#Job Submission And Control"
popmenu job_submit_adv_pm popmenu job_submit_adv_pm
} }
+ button { button {
+ position +18 = + position +18 =
+ size 7 4 + size 7 4
+ text "DAMASK" + text "DAMASK"
+ help "damask_run#Job Submission And Control" + help "damask_run#Job Submission And Control"
+ popmenu damask + popmenu damask
+ } + }
button { + button {
position 0 +4 position 0 +4
size 12 4 size 12 4
@@ -1189,6 +1196,135 @@ popmenu job_submit_adv_pm { text "UPDATE"
} @@ -1190,6 +1197,135 @@
+#-------------------------------------------------------------------------------------------------- #--------------------------------------------------------------------------------------------------
+popmenu damask { +popmenu damask {
+ +
+#ifdef QT_MENTAT +#ifdef QT_MENTAT
@ -153,6 +153,7 @@
+ mode permanent + mode permanent
+} +}
+ +
#-------------------------------------------------------------------------------------------------- +#--------------------------------------------------------------------------------------------------
popmenu job_exit_msg_pm { popmenu job_exit_msg_pm {
text "EXIT MESSAGE"

17
python/setup.cfg
View File

@ -6,7 +6,7 @@ author_email = damask@mpie.de
url = https://damask.mpie.de url = https://damask.mpie.de
description = DAMASK processing tools description = DAMASK processing tools
long_description = Pre- and post-processing tools for DAMASK long_description = Pre- and post-processing tools for DAMASK
license: AGPL3 license = AGPL3
classifiers = classifiers =
Intended Audience :: Science/Research Intended Audience :: Science/Research
Topic :: Scientific/Engineering Topic :: Scientific/Engineering
@ -19,12 +19,11 @@ packages = find:
include_package_data = true include_package_data = true
python_requires = >= 3.8 python_requires = >= 3.8
install_requires = install_requires =
importlib-metadata; python_version<"3.8" pandas>=0.24 # requires numpy
pandas; python_version<="0.24" # requires numpy numpy>=1.17 # needed for default_rng
numpy; python_version<="1.17" # needed for default_rng scipy>=1.2
scipy; python_version<="1.2" h5py>=2.9 # requires numpy
h5py; python_version<="2.9" # requires numpy vtk>=8.1
vtk; python_version<="8.1" matplotlib>=3.0 # requires numpy, pillow
matplotlib; python_version<="3.0" # requires numpy, pillow pyyaml>=3.12
pyyaml; python_version<="3.12"
setup_requires = setuptools setup_requires = setuptools

2
src/CLI.f90
View File

@ -7,7 +7,7 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
#define PETSC_MAJOR 3 #define PETSC_MAJOR 3
#define PETSC_MINOR_MIN 12 #define PETSC_MINOR_MIN 12
#define PETSC_MINOR_MAX 17 #define PETSC_MINOR_MAX 18
module CLI module CLI
use, intrinsic :: ISO_fortran_env use, intrinsic :: ISO_fortran_env

12
src/CMakeLists.txt
View File

@ -1,7 +1,8 @@
# special flags for some files # special flags for some files
if(CMAKE_Fortran_COMPILER_ID STREQUAL "GNU") if(CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
# long lines for interaction matrix # long lines for interaction matrix
SET_SOURCE_FILES_PROPERTIES("lattice.f90" PROPERTIES COMPILE_FLAGS "-ffree-line-length-240") set_source_files_properties("lattice.f90" PROPERTIES COMPILE_FLAGS "-ffree-line-length-240")
set_source_files_properties("parallelization.f90" PROPERTIES COMPILE_FLAGS "-ffree-line-length-none")
endif() endif()
file(GLOB damask-sources CONFIGURE_DEPENDS *.f90 *.c) file(GLOB damask-sources CONFIGURE_DEPENDS *.f90 *.c)
@ -14,6 +15,15 @@ elseif(PROJECT_NAME STREQUAL "damask-mesh")
file(GLOB solver-sources CONFIGURE_DEPENDS mesh/*.f90) file(GLOB solver-sources CONFIGURE_DEPENDS mesh/*.f90)
endif() endif()
foreach(solver-source ${solver-sources})
file(READ ${solver-source} content)
string(FIND "${content}" "CHKERR" found)
if(NOT ${found} EQUAL -1)
set_source_files_properties(${solver-source} PROPERTIES COMPILE_FLAGS "-ffree-line-length-none")
endif()
endforeach()
if(NOT CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY") if(NOT CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
add_executable(${executable-name} ${damask-sources} ${solver-sources}) add_executable(${executable-name} ${damask-sources} ${solver-sources})
install(TARGETS ${executable-name} RUNTIME DESTINATION bin) install(TARGETS ${executable-name} RUNTIME DESTINATION bin)

108
src/HDF5_utilities.f90
View File

@ -673,13 +673,9 @@ subroutine HDF5_read_real1(dataset,loc_id,datasetName,parallel)
totalShape !< shape of the dataset (all processes) totalShape !< shape of the dataset (all processes)
integer :: hdferr integer :: hdferr
!---------------------------------------------------------------------------------------------------
! determine shape of dataset
myShape = int(shape(dataset),HSIZE_T)
if (any(myShape(1:size(myShape)-1) == 0)) return !< empty dataset (last dimension can be empty)
!--------------------------------------------------------------------------------------------------- myShape = int(shape(dataset),HSIZE_T)
! initialize HDF5 data structures
if (present(parallel)) then if (present(parallel)) then
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel) myStart, totalShape, loc_id,myShape,datasetName,parallel)
@ -687,6 +683,7 @@ subroutine HDF5_read_real1(dataset,loc_id,datasetName,parallel)
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel_default) myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
end if end if
if (any(totalShape == 0)) return
call H5Dread_f(dset_id, H5T_NATIVE_DOUBLE,dataset,totalShape, hdferr,& call H5Dread_f(dset_id, H5T_NATIVE_DOUBLE,dataset,totalShape, hdferr,&
file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id) file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id)
@ -713,13 +710,9 @@ subroutine HDF5_read_real2(dataset,loc_id,datasetName,parallel)
totalShape !< shape of the dataset (all processes) totalShape !< shape of the dataset (all processes)
integer :: hdferr integer :: hdferr
!---------------------------------------------------------------------------------------------------
! determine shape of dataset
myShape = int(shape(dataset),HSIZE_T)
if (any(myShape(1:size(myShape)-1) == 0)) return !< empty dataset (last dimension can be empty)
!--------------------------------------------------------------------------------------------------- myShape = int(shape(dataset),HSIZE_T)
! initialize HDF5 data structures
if (present(parallel)) then if (present(parallel)) then
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel) myStart, totalShape, loc_id,myShape,datasetName,parallel)
@ -727,6 +720,7 @@ subroutine HDF5_read_real2(dataset,loc_id,datasetName,parallel)
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel_default) myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
end if end if
if (any(totalShape == 0)) return
call H5Dread_f(dset_id, H5T_NATIVE_DOUBLE,dataset,totalShape, hdferr,& call H5Dread_f(dset_id, H5T_NATIVE_DOUBLE,dataset,totalShape, hdferr,&
file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id) file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id)
@ -753,13 +747,9 @@ subroutine HDF5_read_real3(dataset,loc_id,datasetName,parallel)
totalShape !< shape of the dataset (all processes) totalShape !< shape of the dataset (all processes)
integer :: hdferr integer :: hdferr
!---------------------------------------------------------------------------------------------------
! determine shape of dataset
myShape = int(shape(dataset),HSIZE_T)
if (any(myShape(1:size(myShape)-1) == 0)) return !< empty dataset (last dimension can be empty)
!--------------------------------------------------------------------------------------------------- myShape = int(shape(dataset),HSIZE_T)
! initialize HDF5 data structures
if (present(parallel)) then if (present(parallel)) then
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel) myStart, totalShape, loc_id,myShape,datasetName,parallel)
@ -767,6 +757,7 @@ subroutine HDF5_read_real3(dataset,loc_id,datasetName,parallel)
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel_default) myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
end if end if
if (any(totalShape == 0)) return
call H5Dread_f(dset_id, H5T_NATIVE_DOUBLE,dataset,totalShape, hdferr,& call H5Dread_f(dset_id, H5T_NATIVE_DOUBLE,dataset,totalShape, hdferr,&
file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id) file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id)
@ -793,13 +784,10 @@ subroutine HDF5_read_real4(dataset,loc_id,datasetName,parallel)
totalShape !< shape of the dataset (all processes) totalShape !< shape of the dataset (all processes)
integer :: hdferr integer :: hdferr
!---------------------------------------------------------------------------------------------------
! determine shape of dataset
myShape = int(shape(dataset),HSIZE_T) myShape = int(shape(dataset),HSIZE_T)
if (any(myShape(1:size(myShape)-1) == 0)) return !< empty dataset (last dimension can be empty) if (any(myShape(1:size(myShape)-1) == 0)) return !< empty dataset (last dimension can be empty)
!---------------------------------------------------------------------------------------------------
! initialize HDF5 data structures
if (present(parallel)) then if (present(parallel)) then
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel) myStart, totalShape, loc_id,myShape,datasetName,parallel)
@ -807,6 +795,7 @@ subroutine HDF5_read_real4(dataset,loc_id,datasetName,parallel)
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel_default) myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
end if end if
if (any(totalShape == 0)) return
call H5Dread_f(dset_id, H5T_NATIVE_DOUBLE,dataset,totalShape, hdferr,& call H5Dread_f(dset_id, H5T_NATIVE_DOUBLE,dataset,totalShape, hdferr,&
file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id) file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id)
@ -833,13 +822,10 @@ subroutine HDF5_read_real5(dataset,loc_id,datasetName,parallel)
totalShape !< shape of the dataset (all processes) totalShape !< shape of the dataset (all processes)
integer :: hdferr integer :: hdferr
!---------------------------------------------------------------------------------------------------
! determine shape of dataset
myShape = int(shape(dataset),HSIZE_T) myShape = int(shape(dataset),HSIZE_T)
if (any(myShape(1:size(myShape)-1) == 0)) return !< empty dataset (last dimension can be empty) if (any(myShape(1:size(myShape)-1) == 0)) return !< empty dataset (last dimension can be empty)
!---------------------------------------------------------------------------------------------------
! initialize HDF5 data structures
if (present(parallel)) then if (present(parallel)) then
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel) myStart, totalShape, loc_id,myShape,datasetName,parallel)
@ -847,6 +833,7 @@ subroutine HDF5_read_real5(dataset,loc_id,datasetName,parallel)
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel_default) myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
end if end if
if (any(totalShape == 0)) return
call H5Dread_f(dset_id, H5T_NATIVE_DOUBLE,dataset,totalShape, hdferr,& call H5Dread_f(dset_id, H5T_NATIVE_DOUBLE,dataset,totalShape, hdferr,&
file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id) file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id)
@ -873,13 +860,10 @@ subroutine HDF5_read_real6(dataset,loc_id,datasetName,parallel)
totalShape !< shape of the dataset (all processes) totalShape !< shape of the dataset (all processes)
integer :: hdferr integer :: hdferr
!---------------------------------------------------------------------------------------------------
! determine shape of dataset
myShape = int(shape(dataset),HSIZE_T) myShape = int(shape(dataset),HSIZE_T)
if (any(myShape(1:size(myShape)-1) == 0)) return !< empty dataset (last dimension can be empty) if (any(myShape(1:size(myShape)-1) == 0)) return !< empty dataset (last dimension can be empty)
!---------------------------------------------------------------------------------------------------
! initialize HDF5 data structures
if (present(parallel)) then if (present(parallel)) then
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel) myStart, totalShape, loc_id,myShape,datasetName,parallel)
@ -887,6 +871,7 @@ subroutine HDF5_read_real6(dataset,loc_id,datasetName,parallel)
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel_default) myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
end if end if
if (any(totalShape == 0)) return
call H5Dread_f(dset_id, H5T_NATIVE_DOUBLE,dataset,totalShape, hdferr,& call H5Dread_f(dset_id, H5T_NATIVE_DOUBLE,dataset,totalShape, hdferr,&
file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id) file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id)
@ -913,13 +898,10 @@ subroutine HDF5_read_real7(dataset,loc_id,datasetName,parallel)
totalShape !< shape of the dataset (all processes) totalShape !< shape of the dataset (all processes)
integer :: hdferr integer :: hdferr
!---------------------------------------------------------------------------------------------------
! determine shape of dataset
myShape = int(shape(dataset),HSIZE_T) myShape = int(shape(dataset),HSIZE_T)
if (any(myShape(1:size(myShape)-1) == 0)) return !< empty dataset (last dimension can be empty) if (any(myShape(1:size(myShape)-1) == 0)) return !< empty dataset (last dimension can be empty)
!---------------------------------------------------------------------------------------------------
! initialize HDF5 data structures
if (present(parallel)) then if (present(parallel)) then
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel) myStart, totalShape, loc_id,myShape,datasetName,parallel)
@ -927,6 +909,7 @@ subroutine HDF5_read_real7(dataset,loc_id,datasetName,parallel)
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel_default) myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
end if end if
if (any(totalShape == 0)) return
call H5Dread_f(dset_id, H5T_NATIVE_DOUBLE,dataset,totalShape, hdferr,& call H5Dread_f(dset_id, H5T_NATIVE_DOUBLE,dataset,totalShape, hdferr,&
file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id) file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id)
@ -955,13 +938,8 @@ subroutine HDF5_read_int1(dataset,loc_id,datasetName,parallel)
totalShape !< shape of the dataset (all processes) totalShape !< shape of the dataset (all processes)
integer :: hdferr integer :: hdferr
!---------------------------------------------------------------------------------------------------
! determine shape of dataset
myShape = int(shape(dataset),HSIZE_T) myShape = int(shape(dataset),HSIZE_T)
if (any(myShape(1:size(myShape)-1) == 0)) return !< empty dataset (last dimension can be empty)
!---------------------------------------------------------------------------------------------------
! initialize HDF5 data structures
if (present(parallel)) then if (present(parallel)) then
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel) myStart, totalShape, loc_id,myShape,datasetName,parallel)
@ -969,6 +947,7 @@ subroutine HDF5_read_int1(dataset,loc_id,datasetName,parallel)
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel_default) myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
end if end if
if (any(totalShape == 0)) return
call H5Dread_f(dset_id, H5T_NATIVE_INTEGER,dataset,totalShape, hdferr,& call H5Dread_f(dset_id, H5T_NATIVE_INTEGER,dataset,totalShape, hdferr,&
file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id) file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id)
@ -995,13 +974,10 @@ subroutine HDF5_read_int2(dataset,loc_id,datasetName,parallel)
totalShape !< shape of the dataset (all processes) totalShape !< shape of the dataset (all processes)
integer :: hdferr integer :: hdferr
!---------------------------------------------------------------------------------------------------
! determine shape of dataset
myShape = int(shape(dataset),HSIZE_T) myShape = int(shape(dataset),HSIZE_T)
if (any(myShape(1:size(myShape)-1) == 0)) return !< empty dataset (last dimension can be empty) if (any(myShape(1:size(myShape)-1) == 0)) return !< empty dataset (last dimension can be empty)
!---------------------------------------------------------------------------------------------------
! initialize HDF5 data structures
if (present(parallel)) then if (present(parallel)) then
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel) myStart, totalShape, loc_id,myShape,datasetName,parallel)
@ -1009,6 +985,7 @@ subroutine HDF5_read_int2(dataset,loc_id,datasetName,parallel)
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel_default) myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
end if end if
if (any(totalShape == 0)) return
call H5Dread_f(dset_id, H5T_NATIVE_INTEGER,dataset,totalShape, hdferr,& call H5Dread_f(dset_id, H5T_NATIVE_INTEGER,dataset,totalShape, hdferr,&
file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id) file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id)
@ -1035,13 +1012,9 @@ subroutine HDF5_read_int3(dataset,loc_id,datasetName,parallel)
totalShape !< shape of the dataset (all processes) totalShape !< shape of the dataset (all processes)
integer :: hdferr integer :: hdferr
!---------------------------------------------------------------------------------------------------
! determine shape of dataset
myShape = int(shape(dataset),HSIZE_T)
if (any(myShape(1:size(myShape)-1) == 0)) return !< empty dataset (last dimension can be empty)
!--------------------------------------------------------------------------------------------------- myShape = int(shape(dataset),HSIZE_T)
! initialize HDF5 data structures
if (present(parallel)) then if (present(parallel)) then
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel) myStart, totalShape, loc_id,myShape,datasetName,parallel)
@ -1049,6 +1022,7 @@ subroutine HDF5_read_int3(dataset,loc_id,datasetName,parallel)
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel_default) myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
end if end if
if (any(totalShape == 0)) return
call H5Dread_f(dset_id, H5T_NATIVE_INTEGER,dataset,totalShape, hdferr,& call H5Dread_f(dset_id, H5T_NATIVE_INTEGER,dataset,totalShape, hdferr,&
file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id) file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id)
@ -1075,13 +1049,9 @@ subroutine HDF5_read_int4(dataset,loc_id,datasetName,parallel)
totalShape !< shape of the dataset (all processes) totalShape !< shape of the dataset (all processes)
integer :: hdferr integer :: hdferr
!---------------------------------------------------------------------------------------------------
! determine shape of dataset
myShape = int(shape(dataset),HSIZE_T)
if (any(myShape(1:size(myShape)-1) == 0)) return !< empty dataset (last dimension can be empty)
!--------------------------------------------------------------------------------------------------- myShape = int(shape(dataset),HSIZE_T)
! initialize HDF5 data structures
if (present(parallel)) then if (present(parallel)) then
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel) myStart, totalShape, loc_id,myShape,datasetName,parallel)
@ -1089,6 +1059,7 @@ subroutine HDF5_read_int4(dataset,loc_id,datasetName,parallel)
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel_default) myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
end if end if
if (any(totalShape == 0)) return
call H5Dread_f(dset_id, H5T_NATIVE_INTEGER,dataset,totalShape, hdferr,& call H5Dread_f(dset_id, H5T_NATIVE_INTEGER,dataset,totalShape, hdferr,&
file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id) file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id)
@ -1115,13 +1086,9 @@ subroutine HDF5_read_int5(dataset,loc_id,datasetName,parallel)
totalShape !< shape of the dataset (all processes) totalShape !< shape of the dataset (all processes)
integer :: hdferr integer :: hdferr
!---------------------------------------------------------------------------------------------------
! determine shape of dataset
myShape = int(shape(dataset),HSIZE_T)
if (any(myShape(1:size(myShape)-1) == 0)) return !< empty dataset (last dimension can be empty)
!--------------------------------------------------------------------------------------------------- myShape = int(shape(dataset),HSIZE_T)
! initialize HDF5 data structures
if (present(parallel)) then if (present(parallel)) then
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel) myStart, totalShape, loc_id,myShape,datasetName,parallel)
@ -1129,6 +1096,7 @@ subroutine HDF5_read_int5(dataset,loc_id,datasetName,parallel)
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel_default) myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
end if end if
if (any(totalShape == 0)) return
call H5Dread_f(dset_id, H5T_NATIVE_INTEGER,dataset,totalShape, hdferr,& call H5Dread_f(dset_id, H5T_NATIVE_INTEGER,dataset,totalShape, hdferr,&
file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id) file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id)
@ -1155,13 +1123,10 @@ subroutine HDF5_read_int6(dataset,loc_id,datasetName,parallel)
totalShape !< shape of the dataset (all processes) totalShape !< shape of the dataset (all processes)
integer :: hdferr integer :: hdferr
!---------------------------------------------------------------------------------------------------
! determine shape of dataset
myShape = int(shape(dataset),HSIZE_T) myShape = int(shape(dataset),HSIZE_T)
if (any(myShape(1:size(myShape)-1) == 0)) return !< empty dataset (last dimension can be empty) if (any(myShape(1:size(myShape)-1) == 0)) return !< empty dataset (last dimension can be empty)
!---------------------------------------------------------------------------------------------------
! initialize HDF5 data structures
if (present(parallel)) then if (present(parallel)) then
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel) myStart, totalShape, loc_id,myShape,datasetName,parallel)
@ -1169,6 +1134,7 @@ subroutine HDF5_read_int6(dataset,loc_id,datasetName,parallel)
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel_default) myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
end if end if
if (any(totalShape == 0)) return
call H5Dread_f(dset_id, H5T_NATIVE_INTEGER,dataset,totalShape, hdferr,& call H5Dread_f(dset_id, H5T_NATIVE_INTEGER,dataset,totalShape, hdferr,&
file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id) file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id)
@ -1195,13 +1161,10 @@ subroutine HDF5_read_int7(dataset,loc_id,datasetName,parallel)
totalShape !< shape of the dataset (all processes) totalShape !< shape of the dataset (all processes)
integer :: hdferr integer :: hdferr
!---------------------------------------------------------------------------------------------------
! determine shape of dataset
myShape = int(shape(dataset),HSIZE_T) myShape = int(shape(dataset),HSIZE_T)
if (any(myShape(1:size(myShape)-1) == 0)) return !< empty dataset (last dimension can be empty) if (any(myShape(1:size(myShape)-1) == 0)) return !< empty dataset (last dimension can be empty)
!---------------------------------------------------------------------------------------------------
! initialize HDF5 data structures
if (present(parallel)) then if (present(parallel)) then
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel) myStart, totalShape, loc_id,myShape,datasetName,parallel)
@ -1209,6 +1172,7 @@ subroutine HDF5_read_int7(dataset,loc_id,datasetName,parallel)
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, & call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
myStart, totalShape, loc_id,myShape,datasetName,parallel_default) myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
end if end if
if (any(totalShape == 0)) return
call H5Dread_f(dset_id, H5T_NATIVE_INTEGER,dataset,totalShape, hdferr,& call H5Dread_f(dset_id, H5T_NATIVE_INTEGER,dataset,totalShape, hdferr,&
file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id) file_space_id = filespace_id, xfer_prp = plist_id, mem_space_id = memspace_id)
@ -2031,6 +1995,12 @@ subroutine initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_
myStart(ubound(myStart)) = int(sum(readSize(1:worldrank)),HSIZE_T) myStart(ubound(myStart)) = int(sum(readSize(1:worldrank)),HSIZE_T)
globalShape = [localShape(1:ubound(localShape,1)-1),int(sum(readSize),HSIZE_T)] globalShape = [localShape(1:ubound(localShape,1)-1),int(sum(readSize),HSIZE_T)]
if (any(globalShape == 0)) then
call H5Pclose_f(plist_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
return
end if
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! create dataspace in memory (local shape) ! create dataspace in memory (local shape)
call H5Screate_simple_f(size(localShape), localShape, memspace_id, hdferr, localShape) call H5Screate_simple_f(size(localShape), localShape, memspace_id, hdferr, localShape)

10
src/grid/grid_thermal_spectral.f90
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@ -50,8 +50,8 @@ module grid_thermal_spectral
real(pReal), dimension(:,:,:), allocatable :: & real(pReal), dimension(:,:,:), allocatable :: &
T_current, & !< field of current temperature T_current, & !< field of current temperature
T_lastInc, & !< field of previous temperature T_lastInc, & !< field of previous temperature
T_stagInc !< field of staggered temperature T_stagInc, & !< field of staggered temperature
dotT_lastInc
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! reference diffusion tensor, mobility etc. ! reference diffusion tensor, mobility etc.
integer :: totalIter = 0 !< total iteration in current increment integer :: totalIter = 0 !< total iteration in current increment
@ -110,6 +110,7 @@ subroutine grid_thermal_spectral_init()
T_current = discretization_grid_getInitialCondition('T') T_current = discretization_grid_getInitialCondition('T')
T_lastInc = T_current T_lastInc = T_current
T_stagInc = T_current T_stagInc = T_current
dotT_lastInc = 0.0_pReal * T_current
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! initialize solver specific parts of PETSc ! initialize solver specific parts of PETSc
@ -152,6 +153,7 @@ subroutine grid_thermal_spectral_init()
call HDF5_read(T_current,groupHandle,'T',.false.) call HDF5_read(T_current,groupHandle,'T',.false.)
call HDF5_read(T_lastInc,groupHandle,'T_lastInc',.false.) call HDF5_read(T_lastInc,groupHandle,'T_lastInc',.false.)
call HDF5_read(dotT_lastInc,groupHandle,'dotT_lastInc',.false.)
end if restartRead end if restartRead
ce = 0 ce = 0
@ -261,9 +263,10 @@ subroutine grid_thermal_spectral_forward(cutBack)
ce = 0 ce = 0
do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1) do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1)
ce = ce + 1 ce = ce + 1
call homogenization_thermal_setField(T_current(i,j,k),(T_current(i,j,k)-T_lastInc(i,j,k))/params%Delta_t,ce) call homogenization_thermal_setField(T_current(i,j,k),dotT_lastInc(i,j,k),ce)
end do; end do; end do end do; end do; end do
else else
dotT_lastInc = (T_current - T_lastInc)/params%Delta_t
T_lastInc = T_current T_lastInc = T_current
call updateReference call updateReference
end if end if
@ -292,6 +295,7 @@ subroutine grid_thermal_spectral_restartWrite
groupHandle = HDF5_openGroup(fileHandle,'solver') groupHandle = HDF5_openGroup(fileHandle,'solver')
call HDF5_write(T,groupHandle,'T') call HDF5_write(T,groupHandle,'T')
call HDF5_write(T_lastInc,groupHandle,'T_lastInc') call HDF5_write(T_lastInc,groupHandle,'T_lastInc')
call HDF5_write(dotT_lastInc,groupHandle,'dotT_lastInc')
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
call HDF5_closeFile(fileHandle) call HDF5_closeFile(fileHandle)

12
src/mesh/FEM_utilities.f90
View File

@ -192,7 +192,8 @@ subroutine utilities_projectBCValues(localVec,section,field,comp,bcPointsIS,BCVa
call ISGetSize(bcPointsIS,nBcPoints,err_PETSc) call ISGetSize(bcPointsIS,nBcPoints,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
if (nBcPoints > 0) call ISGetIndicesF90(bcPointsIS,bcPoints,err_PETSc) if (nBcPoints > 0) call ISGetIndicesF90(bcPointsIS,bcPoints,err_PETSc)
call VecGetArrayF90(localVec,localArray,err_PETSc); CHKERRQ(err_PETSc) call VecGetArrayF90(localVec,localArray,err_PETSc)
CHKERRQ(err_PETSc)
do point = 1, nBcPoints do point = 1, nBcPoints
call PetscSectionGetFieldDof(section,bcPoints(point),field,numDof,err_PETSc) call PetscSectionGetFieldDof(section,bcPoints(point),field,numDof,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
@ -202,9 +203,12 @@ subroutine utilities_projectBCValues(localVec,section,field,comp,bcPointsIS,BCVa
localArray(dof) = localArray(dof) + BCValue + BCDotValue*timeinc localArray(dof) = localArray(dof) + BCValue + BCDotValue*timeinc
end do end do
end do end do
call VecRestoreArrayF90(localVec,localArray,err_PETSc); CHKERRQ(err_PETSc) call VecRestoreArrayF90(localVec,localArray,err_PETSc)
call VecAssemblyBegin(localVec, err_PETSc); CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call VecAssemblyEnd (localVec, err_PETSc); CHKERRQ(err_PETSc) call VecAssemblyBegin(localVec, err_PETSc)
CHKERRQ(err_PETSc)
call VecAssemblyEnd (localVec, err_PETSc)
CHKERRQ(err_PETSc)
if (nBcPoints > 0) call ISRestoreIndicesF90(bcPointsIS,bcPoints,err_PETSc) if (nBcPoints > 0) call ISRestoreIndicesF90(bcPointsIS,bcPoints,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)

3
src/mesh/discretization_mesh.f90
View File

@ -158,7 +158,8 @@ subroutine discretization_mesh_init(restart)
call MPI_Bcast(mesh_boundaries,mesh_Nboundaries,MPI_INTEGER,0_MPI_INTEGER_KIND,MPI_COMM_WORLD,err_MPI) call MPI_Bcast(mesh_boundaries,mesh_Nboundaries,MPI_INTEGER,0_MPI_INTEGER_KIND,MPI_COMM_WORLD,err_MPI)
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error' if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
call DMDestroy(globalMesh,err_PETSc); CHKERRQ(err_PETSc) call DMDestroy(globalMesh,err_PETSc)
CHKERRQ(err_PETSc)
call DMGetStratumSize(geomMesh,'depth',dimPlex,Nelems,err_PETSc) call DMGetStratumSize(geomMesh,'depth',dimPlex,Nelems,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)

168
src/mesh/mesh_mech_FEM.f90
View File

@ -146,8 +146,10 @@ subroutine FEM_mechanical_init(fieldBC)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! Setup FEM mech mesh ! Setup FEM mech mesh
call DMClone(geomMesh,mechanical_mesh,err_PETSc); CHKERRQ(err_PETSc) call DMClone(geomMesh,mechanical_mesh,err_PETSc)
call DMGetDimension(mechanical_mesh,dimPlex,err_PETSc); CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMGetDimension(mechanical_mesh,dimPlex,err_PETSc)
CHKERRQ(err_PETSc)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! Setup FEM mech discretization ! Setup FEM mech discretization
@ -162,24 +164,34 @@ subroutine FEM_mechanical_init(fieldBC)
call PetscQuadratureSetData(mechQuad,dimPlex,nc,int(nQuadrature,pPETSCINT),qPointsP,qWeightsP,err_PETSc) call PetscQuadratureSetData(mechQuad,dimPlex,nc,int(nQuadrature,pPETSCINT),qPointsP,qWeightsP,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call PetscFECreateDefault(PETSC_COMM_SELF,dimPlex,nc,PETSC_TRUE,prefix, & call PetscFECreateDefault(PETSC_COMM_SELF,dimPlex,nc,PETSC_TRUE,prefix, &
num%p_i,mechFE,err_PETSc); CHKERRQ(err_PETSc) num%p_i,mechFE,err_PETSc)
call PetscFESetQuadrature(mechFE,mechQuad,err_PETSc); CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call PetscFEGetDimension(mechFE,nBasis,err_PETSc); CHKERRQ(err_PETSc) call PetscFESetQuadrature(mechFE,mechQuad,err_PETSc)
CHKERRQ(err_PETSc)
call PetscFEGetDimension(mechFE,nBasis,err_PETSc)
CHKERRQ(err_PETSc)
nBasis = nBasis/nc nBasis = nBasis/nc
call DMAddField(mechanical_mesh,PETSC_NULL_DMLABEL,mechFE,err_PETSc) call DMAddField(mechanical_mesh,PETSC_NULL_DMLABEL,mechFE,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMCreateDS(mechanical_mesh,err_PETSc); CHKERRQ(err_PETSc) call DMCreateDS(mechanical_mesh,err_PETSc)
call DMGetDS(mechanical_mesh,mechDS,err_PETSc); CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call PetscDSGetTotalDimension(mechDS,cellDof,err_PETSc); CHKERRQ(err_PETSc) call DMGetDS(mechanical_mesh,mechDS,err_PETSc)
call PetscFEDestroy(mechFE,err_PETSc); CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call PetscQuadratureDestroy(mechQuad,err_PETSc); CHKERRQ(err_PETSc) call PetscDSGetTotalDimension(mechDS,cellDof,err_PETSc)
CHKERRQ(err_PETSc)
call PetscFEDestroy(mechFE,err_PETSc)
CHKERRQ(err_PETSc)
call PetscQuadratureDestroy(mechQuad,err_PETSc)
CHKERRQ(err_PETSc)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! Setup FEM mech boundary conditions ! Setup FEM mech boundary conditions
call DMGetLabel(mechanical_mesh,'Face Sets',BCLabel,err_PETSc) call DMGetLabel(mechanical_mesh,'Face Sets',BCLabel,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMPlexLabelComplete(mechanical_mesh,BCLabel,err_PETSc); CHKERRQ(err_PETSc) call DMPlexLabelComplete(mechanical_mesh,BCLabel,err_PETSc)
call DMGetLocalSection(mechanical_mesh,section,err_PETSc); CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMGetLocalSection(mechanical_mesh,section,err_PETSc)
CHKERRQ(err_PETSc)
allocate(pnumComp(1), source=dimPlex) allocate(pnumComp(1), source=dimPlex)
allocate(pnumDof(0:dimPlex), source = 0_pPETSCINT) allocate(pnumDof(0:dimPlex), source = 0_pPETSCINT)
do topologDim = 0, dimPlex do topologDim = 0, dimPlex
@ -206,11 +218,14 @@ subroutine FEM_mechanical_init(fieldBC)
if (bcSize > 0) then if (bcSize > 0) then
call DMGetStratumIS(mechanical_mesh,'Face Sets',mesh_boundaries(faceSet),bcPoint,err_PETSc) call DMGetStratumIS(mechanical_mesh,'Face Sets',mesh_boundaries(faceSet),bcPoint,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call ISGetIndicesF90(bcPoint,pBcPoint,err_PETSc); CHKERRQ(err_PETSc) call ISGetIndicesF90(bcPoint,pBcPoint,err_PETSc)
CHKERRQ(err_PETSc)
call ISCreateGeneral(PETSC_COMM_WORLD,bcSize,pBcPoint,PETSC_COPY_VALUES,pbcPoints(numBC),err_PETSc) call ISCreateGeneral(PETSC_COMM_WORLD,bcSize,pBcPoint,PETSC_COPY_VALUES,pbcPoints(numBC),err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call ISRestoreIndicesF90(bcPoint,pBcPoint,err_PETSc); CHKERRQ(err_PETSc) call ISRestoreIndicesF90(bcPoint,pBcPoint,err_PETSc)
call ISDestroy(bcPoint,err_PETSc); CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call ISDestroy(bcPoint,err_PETSc)
CHKERRQ(err_PETSc)
else else
call ISCreateGeneral(PETSC_COMM_WORLD,0_pPETSCINT,[0_pPETSCINT],PETSC_COPY_VALUES,pbcPoints(numBC),err_PETSc) call ISCreateGeneral(PETSC_COMM_WORLD,0_pPETSCINT,[0_pPETSCINT],PETSC_COPY_VALUES,pbcPoints(numBC),err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
@ -220,14 +235,17 @@ subroutine FEM_mechanical_init(fieldBC)
call DMPlexCreateSection(mechanical_mesh,nolabel,pNumComp,pNumDof, & call DMPlexCreateSection(mechanical_mesh,nolabel,pNumComp,pNumDof, &
numBC,pBcField,pBcComps,pBcPoints,PETSC_NULL_IS,section,err_PETSc) numBC,pBcField,pBcComps,pBcPoints,PETSC_NULL_IS,section,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMSetSection(mechanical_mesh,section,err_PETSc); CHKERRQ(err_PETSc) call DMSetSection(mechanical_mesh,section,err_PETSc)
CHKERRQ(err_PETSc)
do faceSet = 1, numBC do faceSet = 1, numBC
call ISDestroy(pbcPoints(faceSet),err_PETSc); CHKERRQ(err_PETSc) call ISDestroy(pbcPoints(faceSet),err_PETSc)
CHKERRQ(err_PETSc)
enddo enddo
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! initialize solver specific parts of PETSc ! initialize solver specific parts of PETSc
call SNESCreate(PETSC_COMM_WORLD,mechanical_snes,err_PETSc);CHKERRQ(err_PETSc) call SNESCreate(PETSC_COMM_WORLD,mechanical_snes,err_PETSc)
CHKERRQ(err_PETSc)
call SNESSetOptionsPrefix(mechanical_snes,'mechanical_',err_PETSc) call SNESSetOptionsPrefix(mechanical_snes,'mechanical_',err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESSetDM(mechanical_snes,mechanical_mesh,err_PETSc) ! set the mesh for non-linear solver call SNESSetDM(mechanical_snes,mechanical_mesh,err_PETSc) ! set the mesh for non-linear solver
@ -248,12 +266,15 @@ subroutine FEM_mechanical_init(fieldBC)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESSetTolerances(mechanical_snes,1.0_pReal,0.0_pReal,0.0_pReal,num%itmax,num%itmax,err_PETSc) call SNESSetTolerances(mechanical_snes,1.0_pReal,0.0_pReal,0.0_pReal,num%itmax,num%itmax,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESSetFromOptions(mechanical_snes,err_PETSc); CHKERRQ(err_PETSc) call SNESSetFromOptions(mechanical_snes,err_PETSc)
CHKERRQ(err_PETSc)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! init fields ! init fields
call VecSet(solution ,0.0_pReal,err_PETSc); CHKERRQ(err_PETSc) call VecSet(solution ,0.0_pReal,err_PETSc)
call VecSet(solution_rate,0.0_pReal,err_PETSc); CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call VecSet(solution_rate,0.0_pReal,err_PETSc)
CHKERRQ(err_PETSc)
allocate(x_scal(cellDof)) allocate(x_scal(cellDof))
allocate(nodalWeightsP(1)) allocate(nodalWeightsP(1))
allocate(nodalPointsP(dimPlex)) allocate(nodalPointsP(dimPlex))
@ -263,7 +284,8 @@ subroutine FEM_mechanical_init(fieldBC)
allocate(cellJMat(dimPlex,dimPlex)) allocate(cellJMat(dimPlex,dimPlex))
call PetscDSGetDiscretization(mechDS,0_pPETSCINT,mechFE,err_PETSc) call PetscDSGetDiscretization(mechDS,0_pPETSCINT,mechFE,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call PetscFEGetDualSpace(mechFE,mechDualSpace,err_PETSc); CHKERRQ(err_PETSc) call PetscFEGetDualSpace(mechFE,mechDualSpace,err_PETSc)
CHKERRQ(err_PETSc)
call DMPlexGetHeightStratum(mechanical_mesh,0_pPETSCINT,cellStart,cellEnd,err_PETSc) call DMPlexGetHeightStratum(mechanical_mesh,0_pPETSCINT,cellStart,cellEnd,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
do cell = cellStart, cellEnd-1 !< loop over all elements do cell = cellStart, cellEnd-1 !< loop over all elements
@ -365,8 +387,10 @@ subroutine FEM_mechanical_formResidual(dm_local,xx_local,f_local,dummy,err_PETSc
allocate(pinvcellJ(dimPlex**2)) allocate(pinvcellJ(dimPlex**2))
allocate(x_scal(cellDof)) allocate(x_scal(cellDof))
call DMGetLocalSection(dm_local,section,err_PETSc); CHKERRQ(err_PETSc) call DMGetLocalSection(dm_local,section,err_PETSc)
call DMGetDS(dm_local,prob,err_PETSc); CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMGetDS(dm_local,prob,err_PETSc)
CHKERRQ(err_PETSc)
call PetscDSGetTabulation(prob,0_pPETSCINT,basisField,basisFieldDer,err_PETSc) call PetscDSGetTabulation(prob,0_pPETSCINT,basisField,basisFieldDer,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMPlexGetHeightStratum(dm_local,0_pPETSCINT,cellStart,cellEnd,err_PETSc) call DMPlexGetHeightStratum(dm_local,0_pPETSCINT,cellStart,cellEnd,err_PETSc)
@ -383,7 +407,8 @@ subroutine FEM_mechanical_formResidual(dm_local,xx_local,f_local,dummy,err_PETSc
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call utilities_projectBCValues(x_local,section,0_pPETSCINT,field-1,bcPoints, & call utilities_projectBCValues(x_local,section,0_pPETSCINT,field-1,bcPoints, &
0.0_pReal,params%fieldBC%componentBC(field)%Value(face),params%timeinc) 0.0_pReal,params%fieldBC%componentBC(field)%Value(face),params%timeinc)
call ISDestroy(bcPoints,err_PETSc); CHKERRQ(err_PETSc) call ISDestroy(bcPoints,err_PETSc)
CHKERRQ(err_PETSc)
endif endif
endif endif
enddo; enddo enddo; enddo
@ -464,7 +489,8 @@ subroutine FEM_mechanical_formResidual(dm_local,xx_local,f_local,dummy,err_PETSc
call DMPlexVecRestoreClosure(dm_local,section,x_local,cell,x_scal,err_PETSc) call DMPlexVecRestoreClosure(dm_local,section,x_local,cell,x_scal,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
enddo enddo
call DMRestoreLocalVector(dm_local,x_local,err_PETSc); CHKERRQ(err_PETSc) call DMRestoreLocalVector(dm_local,x_local,err_PETSc)
CHKERRQ(err_PETSc)
end subroutine FEM_mechanical_formResidual end subroutine FEM_mechanical_formResidual
@ -531,7 +557,8 @@ subroutine FEM_mechanical_formJacobian(dm_local,xx_local,Jac_pre,Jac,dummy,err_P
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call utilities_projectBCValues(x_local,section,0_pPETSCINT,field-1,bcPoints, & call utilities_projectBCValues(x_local,section,0_pPETSCINT,field-1,bcPoints, &
0.0_pReal,params%fieldBC%componentBC(field)%Value(face),params%timeinc) 0.0_pReal,params%fieldBC%componentBC(field)%Value(face),params%timeinc)
call ISDestroy(bcPoints,err_PETSc); CHKERRQ(err_PETSc) call ISDestroy(bcPoints,err_PETSc)
CHKERRQ(err_PETSc)
endif endif
endif endif
enddo; enddo enddo; enddo
@ -598,23 +625,32 @@ subroutine FEM_mechanical_formJacobian(dm_local,xx_local,Jac_pre,Jac,dummy,err_P
call DMPlexVecRestoreClosure(dm_local,section,x_local,cell,x_scal,err_PETSc) call DMPlexVecRestoreClosure(dm_local,section,x_local,cell,x_scal,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
enddo enddo
call MatAssemblyBegin(Jac,MAT_FINAL_ASSEMBLY,err_PETSc); CHKERRQ(err_PETSc) call MatAssemblyBegin(Jac,MAT_FINAL_ASSEMBLY,err_PETSc)
call MatAssemblyEnd(Jac,MAT_FINAL_ASSEMBLY,err_PETSc); CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call MatAssemblyBegin(Jac_pre,MAT_FINAL_ASSEMBLY,err_PETSc); CHKERRQ(err_PETSc) call MatAssemblyEnd(Jac,MAT_FINAL_ASSEMBLY,err_PETSc)
call MatAssemblyEnd(Jac_pre,MAT_FINAL_ASSEMBLY,err_PETSc); CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMRestoreLocalVector(dm_local,x_local,err_PETSc); CHKERRQ(err_PETSc) call MatAssemblyBegin(Jac_pre,MAT_FINAL_ASSEMBLY,err_PETSc)
CHKERRQ(err_PETSc)
call MatAssemblyEnd(Jac_pre,MAT_FINAL_ASSEMBLY,err_PETSc)
CHKERRQ(err_PETSc)
call DMRestoreLocalVector(dm_local,x_local,err_PETSc)
CHKERRQ(err_PETSc)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! apply boundary conditions ! apply boundary conditions
#if (PETSC_VERSION_MINOR < 14) #if (PETSC_VERSION_MINOR < 14)
call DMPlexCreateRigidBody(dm_local,matnull,err_PETSc); CHKERRQ(err_PETSc) call DMPlexCreateRigidBody(dm_local,matnull,err_PETSc)
CHKERRQ(err_PETSc)
#else #else
call DMPlexCreateRigidBody(dm_local,0_pPETSCINT,matnull,err_PETSc) call DMPlexCreateRigidBody(dm_local,0_pPETSCINT,matnull,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
#endif #endif
call MatSetNullSpace(Jac,matnull,err_PETSc); CHKERRQ(err_PETSc) call MatSetNullSpace(Jac,matnull,err_PETSc)
call MatSetNearNullSpace(Jac,matnull,err_PETSc); CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call MatNullSpaceDestroy(matnull,err_PETSc); CHKERRQ(err_PETSc) call MatSetNearNullSpace(Jac,matnull,err_PETSc)
CHKERRQ(err_PETSc)
call MatNullSpaceDestroy(matnull,err_PETSc)
CHKERRQ(err_PETSc)
end subroutine FEM_mechanical_formJacobian end subroutine FEM_mechanical_formJacobian
@ -644,15 +680,20 @@ subroutine FEM_mechanical_forward(guess,timeinc,timeinc_old,fieldBC)
if (guess .and. .not. cutBack) then if (guess .and. .not. cutBack) then
ForwardData = .True. ForwardData = .True.
homogenization_F0 = homogenization_F homogenization_F0 = homogenization_F
call SNESGetDM(mechanical_snes,dm_local,err_PETSc); CHKERRQ(err_PETSc) !< retrieve mesh info from mechanical_snes into dm_local call SNESGetDM(mechanical_snes,dm_local,err_PETSc) !< retrieve mesh info from mechanical_snes into dm_local
call DMGetSection(dm_local,section,err_PETSc); CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMGetLocalVector(dm_local,x_local,err_PETSc); CHKERRQ(err_PETSc) call DMGetSection(dm_local,section,err_PETSc)
call VecSet(x_local,0.0_pReal,err_PETSc); CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMGetLocalVector(dm_local,x_local,err_PETSc)
CHKERRQ(err_PETSc)
call VecSet(x_local,0.0_pReal,err_PETSc)
CHKERRQ(err_PETSc)
call DMGlobalToLocalBegin(dm_local,solution,INSERT_VALUES,x_local,err_PETSc) !< retrieve my partition of global solution vector call DMGlobalToLocalBegin(dm_local,solution,INSERT_VALUES,x_local,err_PETSc) !< retrieve my partition of global solution vector
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMGlobalToLocalEnd(dm_local,solution,INSERT_VALUES,x_local,err_PETSc) call DMGlobalToLocalEnd(dm_local,solution,INSERT_VALUES,x_local,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call VecAXPY(solution_local,1.0_pReal,x_local,err_PETSc); CHKERRQ(err_PETSc) call VecAXPY(solution_local,1.0_pReal,x_local,err_PETSc)
CHKERRQ(err_PETSc)
do field = 1, dimPlex; do face = 1, mesh_Nboundaries do field = 1, dimPlex; do face = 1, mesh_Nboundaries
if (fieldBC%componentBC(field)%Mask(face)) then if (fieldBC%componentBC(field)%Mask(face)) then
call DMGetStratumSize(dm_local,'Face Sets',mesh_boundaries(face),bcSize,err_PETSc) call DMGetStratumSize(dm_local,'Face Sets',mesh_boundaries(face),bcSize,err_PETSc)
@ -661,19 +702,25 @@ subroutine FEM_mechanical_forward(guess,timeinc,timeinc_old,fieldBC)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call utilities_projectBCValues(solution_local,section,0_pPETSCINT,field-1,bcPoints, & call utilities_projectBCValues(solution_local,section,0_pPETSCINT,field-1,bcPoints, &
0.0_pReal,fieldBC%componentBC(field)%Value(face),timeinc_old) 0.0_pReal,fieldBC%componentBC(field)%Value(face),timeinc_old)
call ISDestroy(bcPoints,err_PETSc); CHKERRQ(err_PETSc) call ISDestroy(bcPoints,err_PETSc)
CHKERRQ(err_PETSc)
endif endif
endif endif
enddo; enddo enddo; enddo
call DMRestoreLocalVector(dm_local,x_local,err_PETSc); CHKERRQ(err_PETSc) call DMRestoreLocalVector(dm_local,x_local,err_PETSc)
CHKERRQ(err_PETSc)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! update rate and forward last inc ! update rate and forward last inc
call VecCopy(solution,solution_rate,err_PETSc); CHKERRQ(err_PETSc) call VecCopy(solution,solution_rate,err_PETSc)
call VecScale(solution_rate,timeinc_old**(-1),err_PETSc); CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call VecScale(solution_rate,timeinc_old**(-1),err_PETSc)
CHKERRQ(err_PETSc)
endif endif
call VecCopy(solution_rate,solution,err_PETSc); CHKERRQ(err_PETSc) call VecCopy(solution_rate,solution,err_PETSc)
call VecScale(solution,timeinc,err_PETSc); CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call VecScale(solution,timeinc,err_PETSc)
CHKERRQ(err_PETSc)
end subroutine FEM_mechanical_forward end subroutine FEM_mechanical_forward
@ -732,24 +779,32 @@ subroutine FEM_mechanical_updateCoords()
nodeCoords_linear !< nodal coordinates (dimPlex*Nnodes) nodeCoords_linear !< nodal coordinates (dimPlex*Nnodes)
PetscScalar, dimension(:), pointer :: x_scal PetscScalar, dimension(:), pointer :: x_scal
call SNESGetDM(mechanical_snes,dm_local,err_PETSc); CHKERRQ(err_PETSc) call SNESGetDM(mechanical_snes,dm_local,err_PETSc)
call DMGetDS(dm_local,mechQuad,err_PETSc); CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMGetLocalSection(dm_local,section,err_PETSc); CHKERRQ(err_PETSc) call DMGetDS(dm_local,mechQuad,err_PETSc)
call DMGetLocalVector(dm_local,x_local,err_PETSc); CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMGetDimension(dm_local,dimPlex,err_PETSc); CHKERRQ(err_PETSc) call DMGetLocalSection(dm_local,section,err_PETSc)
CHKERRQ(err_PETSc)
call DMGetLocalVector(dm_local,x_local,err_PETSc)
CHKERRQ(err_PETSc)
call DMGetDimension(dm_local,dimPlex,err_PETSc)
CHKERRQ(err_PETSc)
! write cell vertex displacements ! write cell vertex displacements
call DMPlexGetDepthStratum(dm_local,0_pPETSCINT,pStart,pEnd,err_PETSc) call DMPlexGetDepthStratum(dm_local,0_pPETSCINT,pStart,pEnd,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
allocate(nodeCoords(3,pStart:pEnd-1),source=0.0_pReal) allocate(nodeCoords(3,pStart:pEnd-1),source=0.0_pReal)
call VecGetArrayF90(x_local,nodeCoords_linear,err_PETSc); CHKERRQ(err_PETSc) call VecGetArrayF90(x_local,nodeCoords_linear,err_PETSc)
CHKERRQ(err_PETSc)
do p=pStart, pEnd-1 do p=pStart, pEnd-1
call DMPlexGetPointLocal(dm_local, p, s, e, err_PETSc); CHKERRQ(err_PETSc) call DMPlexGetPointLocal(dm_local, p, s, e, err_PETSc)
CHKERRQ(err_PETSc)
nodeCoords(1:dimPlex,p)=nodeCoords_linear(s+1:e) nodeCoords(1:dimPlex,p)=nodeCoords_linear(s+1:e)
enddo enddo
call discretization_setNodeCoords(nodeCoords) call discretization_setNodeCoords(nodeCoords)
call VecRestoreArrayF90(x_local,nodeCoords_linear,err_PETSc); CHKERRQ(err_PETSc) call VecRestoreArrayF90(x_local,nodeCoords_linear,err_PETSc)
CHKERRQ(err_PETSc)
! write ip displacements ! write ip displacements
call DMPlexGetHeightStratum(dm_local,0_pPETSCINT,cellStart,cellEnd,err_PETSc) call DMPlexGetHeightStratum(dm_local,0_pPETSCINT,cellStart,cellEnd,err_PETSc)
@ -779,7 +834,8 @@ subroutine FEM_mechanical_updateCoords()
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
end do end do
call discretization_setIPcoords(reshape(ipCoords,[3,mesh_NcpElems*nQuadrature])) call discretization_setIPcoords(reshape(ipCoords,[3,mesh_NcpElems*nQuadrature]))
call DMRestoreLocalVector(dm_local,x_local,err_PETSc); CHKERRQ(err_PETSc) call DMRestoreLocalVector(dm_local,x_local,err_PETSc)
CHKERRQ(err_PETSc)
end subroutine FEM_mechanical_updateCoords end subroutine FEM_mechanical_updateCoords

19
src/phase_mechanical_plastic_phenopowerlaw.f90
View File

@ -347,8 +347,7 @@ module function phenopowerlaw_dotState(Mp,ph,en) result(dotState)
sumF sumF
real(pReal), dimension(param(ph)%sum_N_sl) :: & real(pReal), dimension(param(ph)%sum_N_sl) :: &
dot_gamma_sl_pos,dot_gamma_sl_neg, & dot_gamma_sl_pos,dot_gamma_sl_neg, &
right_SlipSlip left_SlipSlip
associate(prm => param(ph), stt => state(ph), & associate(prm => param(ph), stt => state(ph), &
dot_xi_sl => dotState(indexDotState(ph)%xi_sl(1):indexDotState(ph)%xi_sl(2)), & dot_xi_sl => dotState(indexDotState(ph)%xi_sl(1):indexDotState(ph)%xi_sl(2)), &
@ -356,17 +355,17 @@ module function phenopowerlaw_dotState(Mp,ph,en) result(dotState)
dot_gamma_sl => dotState(indexDotState(ph)%gamma_sl(1):indexDotState(ph)%gamma_sl(2)), & dot_gamma_sl => dotState(indexDotState(ph)%gamma_sl(1):indexDotState(ph)%gamma_sl(2)), &
dot_gamma_tw => dotState(indexDotState(ph)%gamma_tw(1):indexDotState(ph)%gamma_tw(2))) dot_gamma_tw => dotState(indexDotState(ph)%gamma_tw(1):indexDotState(ph)%gamma_tw(2)))
call kinetics_sl(Mp,ph,en,dot_gamma_sl_pos,dot_gamma_sl_neg) call kinetics_sl(Mp,ph,en, dot_gamma_sl_pos,dot_gamma_sl_neg)
dot_gamma_sl = abs(dot_gamma_sl_pos+dot_gamma_sl_neg) dot_gamma_sl = abs(dot_gamma_sl_pos+dot_gamma_sl_neg)
call kinetics_tw(Mp,ph,en,dot_gamma_tw) call kinetics_tw(Mp,ph,en, dot_gamma_tw)
sumF = sum(stt%gamma_tw(:,en)/prm%gamma_char) sumF = sum(stt%gamma_tw(:,en)/prm%gamma_char)
xi_sl_sat_offset = prm%f_sat_sl_tw*sqrt(sumF)
right_SlipSlip = sign(abs(1.0_pReal-stt%xi_sl(:,en) / (prm%xi_inf_sl+xi_sl_sat_offset))**prm%a_sl, &
1.0_pReal-stt%xi_sl(:,en) / (prm%xi_inf_sl+xi_sl_sat_offset))
dot_xi_sl = prm%h_0_sl_sl * (1.0_pReal + prm%c_1*sumF** prm%c_2) * (1.0_pReal + prm%h_int) & xi_sl_sat_offset = prm%f_sat_sl_tw*sqrt(sumF)
* matmul(prm%h_sl_sl,dot_gamma_sl*right_SlipSlip) & left_SlipSlip = sign(abs(1.0_pReal-stt%xi_sl(:,en) / (prm%xi_inf_sl+xi_sl_sat_offset))**prm%a_sl, &
1.0_pReal-stt%xi_sl(:,en) / (prm%xi_inf_sl+xi_sl_sat_offset))
dot_xi_sl = prm%h_0_sl_sl * (1.0_pReal + prm%c_1 * sumF**prm%c_2) * (1.0_pReal + prm%h_int) &
* left_SlipSlip * matmul(prm%h_sl_sl,dot_gamma_sl) &
+ matmul(prm%h_sl_tw,dot_gamma_tw) + matmul(prm%h_sl_tw,dot_gamma_tw)
dot_xi_tw = prm%h_0_tw_sl * sum(stt%gamma_sl(:,en))**prm%c_3 & dot_xi_tw = prm%h_0_tw_sl * sum(stt%gamma_sl(:,en))**prm%c_3 &