Merge branch '56-parallel-hdf5' into 'development'
Resolve "parallel HDF5" Closes #56 See merge request damask/DAMASK!53
This commit is contained in:
Franz Roters
commit
d0a06607e7
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@ -1,6 +1,7 @@
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*.pyc
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*.pyc
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*.mod
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*.mod
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*.o
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*.o
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*.hdf5
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*.exe
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*.exe
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*.bak
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*.bak
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*~
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*~
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@ -343,6 +343,15 @@ Spectral_MPI:
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- master
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- master
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- release
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- release
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SpectralAll_restartMPI:
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stage: spectral
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script:
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- module load $IntelCompiler $MPICH_Intel $PETSc_MPICH_Intel
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- SpectralAll_restartMPI/test.py
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except:
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- master
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- release
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Plasticity_DetectChanges:
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Plasticity_DetectChanges:
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stage: spectral
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stage: spectral
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script: Plasticity_DetectChanges/test.py
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script: Plasticity_DetectChanges/test.py
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@ -12,7 +12,15 @@
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#
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#
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import os, re, glob, driverUtils
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import os, re, glob, driverUtils
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from damask import version as DAMASKVERSION
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from damask import version as DAMASKVERSION
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from damask import Environment
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myEnv = Environment()
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if myEnv.options['DAMASK_HDF5'] == 'ON':
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# use hdf5 compiler wrapper in $PATH
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fortCmd = os.popen('h5fc -shlib -show').read().replace('\n','') # complicated way needed to pass in DAMASKVERSION string
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link_sl += fortCmd.split()[1:]
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fortCmd +=" -DDAMASKHDF5"
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else:
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# Use the version in $PATH
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# Use the version in $PATH
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fortCmd = "ifort"
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fortCmd = "ifort"
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@ -50,4 +58,6 @@ ask_delete=OFF
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# Remove the temporary names from the namespace
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# Remove the temporary names from the namespace
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del fortCmd
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del fortCmd
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del Environment
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del myEnv
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del DAMASKVERSION
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del DAMASKVERSION
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@ -12,7 +12,15 @@
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#
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#
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import os, re, glob, driverUtils
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import os, re, glob, driverUtils
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from damask import version as DAMASKVERSION
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from damask import version as DAMASKVERSION
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from damask import Environment
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myEnv = Environment()
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if myEnv.options['DAMASK_HDF5'] == 'ON':
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# use hdf5 compiler wrapper in $PATH
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fortCmd = os.popen('h5fc -shlib -show').read().replace('\n','') # complicated way needed to pass in DAMASKVERSION string
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link_sl += fortCmd.split()[1:]
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fortCmd +=" -DDAMASKHDF5"
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else:
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# Use the version in $PATH
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# Use the version in $PATH
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fortCmd = "ifort"
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fortCmd = "ifort"
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@ -55,4 +63,6 @@ ask_delete=OFF
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# Remove the temporary names from the namespace
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# Remove the temporary names from the namespace
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del fortCmd
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del fortCmd
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del Environment
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del myEnv
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del DAMASKVERSION
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del DAMASKVERSION
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@ -63,7 +63,6 @@ else
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INTEGER_PATH=/$MARC_INTEGER_SIZE
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INTEGER_PATH=/$MARC_INTEGER_SIZE
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fi
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fi
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FCOMP=ifort
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INTELPATH="/opt/intel/compilers_and_libraries_2017/linux"
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INTELPATH="/opt/intel/compilers_and_libraries_2017/linux"
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# find the root directory of the compiler installation:
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# find the root directory of the compiler installation:
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@ -99,6 +98,16 @@ else
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FCOMPROOT=
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FCOMPROOT=
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fi
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fi
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# DAMASK uses the HDF5 compiler wrapper around the Intel compiler
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if test "$DAMASK_HDF5" = "ON";then
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H5FC="$(h5fc -shlib -show)"
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HDF5_LIB=${H5FC//ifort/}
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FCOMP="$H5FC -DDAMASKHDF5"
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echo $FCOMP
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else
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FCOMP=ifort
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fi
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# AEM
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# AEM
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if test "$MARCDLLOUTDIR" = ""; then
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if test "$MARCDLLOUTDIR" = ""; then
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DLLOUTDIR="$MARC_LIB"
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DLLOUTDIR="$MARC_LIB"
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@ -535,23 +544,17 @@ else
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DAMASKVERSION="'N/A'"
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DAMASKVERSION="'N/A'"
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fi
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fi
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if test "$DAMASK_HDF5" = "ON";then
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DFCOMP="$(h5fc -show) -DDAMASKHDF5"
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else
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DFCOMP=$FCOMP
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fi
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#
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# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
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# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
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DFORTLOWMP="$DFCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
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DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
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-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
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-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
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-qopenmp -qopenmp-threadprivate=compat\
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-qopenmp -qopenmp-threadprivate=compat\
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$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
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$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
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DFORTRANMP="$DFCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
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DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
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||||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
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-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
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-qopenmp -qopenmp-threadprivate=compat\
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-qopenmp -qopenmp-threadprivate=compat\
|
||||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
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$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
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||||||
DFORTHIGHMP="$DFCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
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DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
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||||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
|
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
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||||||
-qopenmp -qopenmp-threadprivate=compat\
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-qopenmp -qopenmp-threadprivate=compat\
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||||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
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$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
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||||||
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@ -570,15 +573,15 @@ then
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fi
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fi
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|
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# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
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# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
|
||||||
DFORTLOWMP="$DFCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
|
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
|
||||||
-qopenmp -qopenmp-threadprivate=compat\
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-qopenmp -qopenmp-threadprivate=compat\
|
||||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
DFORTRANMP="$DFCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
|
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
|
||||||
-qopenmp -qopenmp-threadprivate=compat\
|
-qopenmp -qopenmp-threadprivate=compat\
|
||||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
DFORTHIGHMP="$DFCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
|
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
|
||||||
-qopenmp -qopenmp-threadprivate=compat\
|
-qopenmp -qopenmp-threadprivate=compat\
|
||||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
|
|
@ -744,7 +747,7 @@ SECLIBS="-L$MARC_LIB -llapi"
|
||||||
|
|
||||||
SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \
|
SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \
|
||||||
$MKLLIB -L$MARC_MKL -liomp5 \
|
$MKLLIB -L$MARC_MKL -liomp5 \
|
||||||
$MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/kdtree2.a "
|
$MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/kdtree2.a $HDF5_LIB "
|
||||||
|
|
||||||
SOLVERLIBS_DLL=${SOLVERLIBS}
|
SOLVERLIBS_DLL=${SOLVERLIBS}
|
||||||
if test "$AEM_DLL" -eq 1
|
if test "$AEM_DLL" -eq 1
|
||||||
|
|
|
||||||
|
|
@ -1,142 +0,0 @@
|
||||||
#!/usr/bin/env python2.7
|
|
||||||
# -*- coding: UTF-8 no BOM -*-
|
|
||||||
|
|
||||||
# ------------------------------------------------------------------- #
|
|
||||||
# NOTE: #
|
|
||||||
# 1. Not all output is defined in the DS_HDF5.xml, please add new #
|
|
||||||
# new one to the system wide definition file #
|
|
||||||
# <DAMASK_ROOT>/lib/damask/DS_HDF5.xml #
|
|
||||||
# or specify your own when initializing HDF5 class #
|
|
||||||
# 2. Somehow the point cloud structure cannot be properly handled #
|
|
||||||
# by Xdmf, which is a descriptive wrapper for visualizing HDF5 #
|
|
||||||
# using Paraview. The current solution is using cell structured #
|
|
||||||
# HDF5 so that Xdmf can describe the data shape as a rectangular #
|
|
||||||
# mesh rather than polyvertex. #
|
|
||||||
# TODO: #
|
|
||||||
# 1. remove the <ASCII_TABLE>._tmp file, basically need a way to #
|
|
||||||
# just load data from ASCII table. #
|
|
||||||
# 2. a progress monitor when transferring data from ASCII table #
|
|
||||||
# to HDF5. #
|
|
||||||
# 3. a more flexible way handle the data structure rather than a #
|
|
||||||
# xml file. #
|
|
||||||
# ------------------------------------------------------------------- #
|
|
||||||
|
|
||||||
import os
|
|
||||||
import damask
|
|
||||||
import numpy as np
|
|
||||||
from optparse import OptionParser
|
|
||||||
|
|
||||||
|
|
||||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
|
||||||
scriptID = ' '.join([scriptName, damask.version])
|
|
||||||
|
|
||||||
|
|
||||||
# ----- helper function ----- #
|
|
||||||
def get_rectMshVectors(xyz_array, posNum):
|
|
||||||
"""Get Vx, Vy, Vz for rectLinear grid"""
|
|
||||||
# need some improvement, and only works for rectangular grid
|
|
||||||
v = sorted(list(set(xyz_array[:, posNum])))
|
|
||||||
v_interval = (v[2]+v[1])/2.0 - (v[1]+v[0])/2.0
|
|
||||||
v_start = (v[1]+v[0])/2.0 - v_interval
|
|
||||||
v_end = (v[-1]+v[-2])/2.0 + v_interval
|
|
||||||
V = np.linspace(v_start, v_end, len(v)+1)
|
|
||||||
return V
|
|
||||||
|
|
||||||
|
|
||||||
# ----- MAIN ---- #
|
|
||||||
desp_msg = "Convert DAMASK ascii table to HDF5 file"
|
|
||||||
parser = OptionParser(option_class=damask.extendableOption,
|
|
||||||
usage='%prog options [file[s]]',
|
|
||||||
description=desp_msg,
|
|
||||||
version=scriptID)
|
|
||||||
parser.add_option('-D', '--DefinitionFile',
|
|
||||||
dest='storage definition file',
|
|
||||||
type='string',
|
|
||||||
metavar='string',
|
|
||||||
help='definition file for H5 data storage')
|
|
||||||
parser.add_option('-p', '--pos', '--position',
|
|
||||||
dest='pos',
|
|
||||||
type='string', metavar='string',
|
|
||||||
help='label of coordinates [%default]')
|
|
||||||
|
|
||||||
parser.set_defaults(DefinitionFile='default',
|
|
||||||
pos='pos')
|
|
||||||
|
|
||||||
(options, filenames) = parser.parse_args()
|
|
||||||
|
|
||||||
filename = filenames[0]
|
|
||||||
|
|
||||||
if options.DefinitionFile == 'default':
|
|
||||||
defFile = None
|
|
||||||
else:
|
|
||||||
defFile = options.DefinitionFile
|
|
||||||
|
|
||||||
# ----- read in data using DAMASK ASCII table class ----- #
|
|
||||||
asciiTable = damask.ASCIItable(name=filename, buffered=False)
|
|
||||||
asciiTable.head_read()
|
|
||||||
asciiTable.data_readArray()
|
|
||||||
incNum = int(asciiTable.data[asciiTable.label_index('inc'), 0])
|
|
||||||
fullTable = np.copy(asciiTable.data) # deep copy all data, just to be safe
|
|
||||||
labels = asciiTable.labels()
|
|
||||||
labels_idx = [asciiTable.label_index(label) for label in labels]
|
|
||||||
featuresDim = [labels_idx[i+1] - labels_idx[i] for i in range(len(labels)-1)]
|
|
||||||
featuresDim.append(fullTable.shape[1] - labels_idx[-1])
|
|
||||||
|
|
||||||
# ----- figure out size and grid ----- #
|
|
||||||
pos_idx = asciiTable.label_index('pos')
|
|
||||||
xyz_array = asciiTable.data[:, pos_idx:pos_idx+3]
|
|
||||||
Vx = get_rectMshVectors(xyz_array, 0)
|
|
||||||
Vy = get_rectMshVectors(xyz_array, 1)
|
|
||||||
Vz = get_rectMshVectors(xyz_array, 2)
|
|
||||||
# use the dimension of the rectangular grid to reshape all other data
|
|
||||||
mshGridDim = [len(Vx)-1, len(Vy)-1, len(Vz)-1]
|
|
||||||
|
|
||||||
# ----- compose cmd log ----- #
|
|
||||||
cmd_log = " ".join([scriptID, filename])
|
|
||||||
|
|
||||||
# ----- create a new HDF5 file and save the data -----#
|
|
||||||
# force remove existing HDF5 file
|
|
||||||
h5fName = filename.replace(".txt", ".h5")
|
|
||||||
try:
|
|
||||||
os.remove(h5fName)
|
|
||||||
except OSError:
|
|
||||||
pass
|
|
||||||
h5f = damask.H5Table(h5fName,
|
|
||||||
new_file=True,
|
|
||||||
dsXMLFile=defFile)
|
|
||||||
# adding increment number as root level attributes
|
|
||||||
h5f.add_attr('inc', incNum)
|
|
||||||
# add the mesh grid data now
|
|
||||||
h5f.add_data("Vx", Vx, cmd_log=cmd_log)
|
|
||||||
h5f.add_data("Vy", Vy, cmd_log=cmd_log)
|
|
||||||
h5f.add_data("Vz", Vz, cmd_log=cmd_log)
|
|
||||||
|
|
||||||
# add the rest of data from table
|
|
||||||
labelsProcessed = ['inc']
|
|
||||||
for fi in range(len(labels)):
|
|
||||||
featureName = labels[fi]
|
|
||||||
# remove trouble maker "("" and ")" from label/feature name
|
|
||||||
if "(" in featureName:
|
|
||||||
featureName = featureName.replace("(", "")
|
|
||||||
if ")" in featureName:
|
|
||||||
featureName = featureName.replace(")", "")
|
|
||||||
# skip increment and duplicated columns in the ASCII table
|
|
||||||
if featureName in labelsProcessed:
|
|
||||||
continue
|
|
||||||
|
|
||||||
featureIdx = labels_idx[fi]
|
|
||||||
featureDim = featuresDim[fi]
|
|
||||||
# grab the data hook
|
|
||||||
dataset = fullTable[:, featureIdx:featureIdx+featureDim]
|
|
||||||
# mapping 2D data onto a 3D rectangular mesh to get 4D data
|
|
||||||
# WARNING: In paraview, the data for a recmesh is mapped as:
|
|
||||||
# --> len(z), len(y), len(x), size(data)
|
|
||||||
# dataset = dataset.reshape((mshGridDim[0],
|
|
||||||
# mshGridDim[1],
|
|
||||||
# mshGridDim[2],
|
|
||||||
# dataset.shape[1]))
|
|
||||||
# write out data
|
|
||||||
print("adding {}...".format(featureName))
|
|
||||||
h5f.add_data(featureName, dataset, cmd_log=cmd_log)
|
|
||||||
# write down the processed label
|
|
||||||
labelsProcessed.append(featureName)
|
|
||||||
|
|
@ -29,24 +29,28 @@ add_library(IO OBJECT "IO.f90")
|
||||||
add_dependencies(IO DAMASK_INTERFACE)
|
add_dependencies(IO DAMASK_INTERFACE)
|
||||||
list(APPEND OBJECTFILES $<TARGET_OBJECTS:IO>)
|
list(APPEND OBJECTFILES $<TARGET_OBJECTS:IO>)
|
||||||
|
|
||||||
add_library(HDF5_UTILITIES OBJECT "HDF5_utilities.f90")
|
|
||||||
add_dependencies(HDF5_UTILITIES IO)
|
|
||||||
list(APPEND OBJECTFILES $<TARGET_OBJECTS:HDF5_UTILITIES>)
|
|
||||||
|
|
||||||
add_library(NUMERICS OBJECT "numerics.f90")
|
add_library(NUMERICS OBJECT "numerics.f90")
|
||||||
add_dependencies(NUMERICS HDF5_UTILITIES)
|
add_dependencies(NUMERICS IO)
|
||||||
list(APPEND OBJECTFILES $<TARGET_OBJECTS:NUMERICS>)
|
list(APPEND OBJECTFILES $<TARGET_OBJECTS:NUMERICS>)
|
||||||
|
|
||||||
add_library(DEBUG OBJECT "debug.f90")
|
add_library(DEBUG OBJECT "debug.f90")
|
||||||
add_dependencies(DEBUG NUMERICS)
|
add_dependencies(DEBUG NUMERICS)
|
||||||
list(APPEND OBJECTFILES $<TARGET_OBJECTS:DEBUG>)
|
list(APPEND OBJECTFILES $<TARGET_OBJECTS:DEBUG>)
|
||||||
|
|
||||||
add_library(CONFIG OBJECT "config.f90")
|
add_library(DAMASK_CONFIG OBJECT "config.f90")
|
||||||
add_dependencies(CONFIG DEBUG)
|
add_dependencies(DAMASK_CONFIG DEBUG)
|
||||||
list(APPEND OBJECTFILES $<TARGET_OBJECTS:CONFIG>)
|
list(APPEND OBJECTFILES $<TARGET_OBJECTS:DAMASK_CONFIG>)
|
||||||
|
|
||||||
|
add_library(HDF5_UTILITIES OBJECT "HDF5_utilities.f90")
|
||||||
|
add_dependencies(HDF5_UTILITIES DAMASK_CONFIG)
|
||||||
|
list(APPEND OBJECTFILES $<TARGET_OBJECTS:HDF5_UTILITIES>)
|
||||||
|
|
||||||
|
add_library(RESULTS OBJECT "results.f90")
|
||||||
|
add_dependencies(RESULTS HDF5_UTILITIES)
|
||||||
|
list(APPEND OBJECTFILES $<TARGET_OBJECTS:RESULTS>)
|
||||||
|
|
||||||
add_library(FEsolving OBJECT "FEsolving.f90")
|
add_library(FEsolving OBJECT "FEsolving.f90")
|
||||||
add_dependencies(FEsolving DEBUG)
|
add_dependencies(FEsolving RESULTS)
|
||||||
list(APPEND OBJECTFILES $<TARGET_OBJECTS:FEsolving>)
|
list(APPEND OBJECTFILES $<TARGET_OBJECTS:FEsolving>)
|
||||||
|
|
||||||
add_library(DAMASK_MATH OBJECT "math.f90")
|
add_library(DAMASK_MATH OBJECT "math.f90")
|
||||||
|
|
@ -68,7 +72,7 @@ elseif (PROJECT_NAME STREQUAL "DAMASK_FEM")
|
||||||
endif()
|
endif()
|
||||||
|
|
||||||
add_library(MATERIAL OBJECT "material.f90")
|
add_library(MATERIAL OBJECT "material.f90")
|
||||||
add_dependencies(MATERIAL MESH CONFIG)
|
add_dependencies(MATERIAL MESH DAMASK_CONFIG)
|
||||||
list(APPEND OBJECTFILES $<TARGET_OBJECTS:MATERIAL>)
|
list(APPEND OBJECTFILES $<TARGET_OBJECTS:MATERIAL>)
|
||||||
|
|
||||||
add_library(DAMASK_HELPERS OBJECT "lattice.f90")
|
add_library(DAMASK_HELPERS OBJECT "lattice.f90")
|
||||||
|
|
|
||||||
125
src/CPFEM2.f90
125
src/CPFEM2.f90
|
|
@ -10,8 +10,8 @@ module CPFEM2
|
||||||
|
|
||||||
public :: &
|
public :: &
|
||||||
CPFEM_age, &
|
CPFEM_age, &
|
||||||
CPFEM_initAll
|
CPFEM_initAll, &
|
||||||
|
CPFEM_results
|
||||||
contains
|
contains
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -20,8 +20,7 @@ contains
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine CPFEM_initAll()
|
subroutine CPFEM_initAll()
|
||||||
use prec, only: &
|
use prec, only: &
|
||||||
pInt
|
pInt, &
|
||||||
use prec, only: &
|
|
||||||
prec_init
|
prec_init
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
numerics_init
|
numerics_init
|
||||||
|
|
@ -39,6 +38,8 @@ subroutine CPFEM_initAll()
|
||||||
material_init
|
material_init
|
||||||
use HDF5_utilities, only: &
|
use HDF5_utilities, only: &
|
||||||
HDF5_utilities_init
|
HDF5_utilities_init
|
||||||
|
use results, only: &
|
||||||
|
results_init
|
||||||
use lattice, only: &
|
use lattice, only: &
|
||||||
lattice_init
|
lattice_init
|
||||||
use constitutive, only: &
|
use constitutive, only: &
|
||||||
|
|
@ -73,6 +74,7 @@ subroutine CPFEM_initAll()
|
||||||
call lattice_init
|
call lattice_init
|
||||||
call material_init
|
call material_init
|
||||||
call HDF5_utilities_init
|
call HDF5_utilities_init
|
||||||
|
call results_init
|
||||||
call constitutive_init
|
call constitutive_init
|
||||||
call crystallite_init
|
call crystallite_init
|
||||||
call homogenization_init
|
call homogenization_init
|
||||||
|
|
@ -105,8 +107,7 @@ subroutine CPFEM_init
|
||||||
debug_levelBasic, &
|
debug_levelBasic, &
|
||||||
debug_levelExtensive
|
debug_levelExtensive
|
||||||
use FEsolving, only: &
|
use FEsolving, only: &
|
||||||
restartRead, &
|
restartRead
|
||||||
modelName
|
|
||||||
use material, only: &
|
use material, only: &
|
||||||
material_phase, &
|
material_phase, &
|
||||||
homogState, &
|
homogState, &
|
||||||
|
|
@ -125,23 +126,22 @@ subroutine CPFEM_init
|
||||||
use hdf5
|
use hdf5
|
||||||
use HDF5_utilities, only: &
|
use HDF5_utilities, only: &
|
||||||
HDF5_openFile, &
|
HDF5_openFile, &
|
||||||
HDF5_openGroup2, &
|
HDF5_closeFile, &
|
||||||
|
HDF5_openGroup, &
|
||||||
|
HDF5_closeGroup, &
|
||||||
HDF5_read
|
HDF5_read
|
||||||
use DAMASK_interface, only: &
|
use DAMASK_interface, only: &
|
||||||
getSolverJobName
|
getSolverJobName
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
integer(pInt) :: k,l,m,ph,homog
|
integer(pInt) :: ph,homog
|
||||||
character(len=1024) :: rankStr, PlasticItem, HomogItem
|
character(len=1024) :: rankStr, PlasticItem, HomogItem
|
||||||
integer(HID_T) :: fileReadID, groupPlasticID, groupHomogID
|
integer(HID_T) :: fileHandle, groupPlasticID, groupHomogID
|
||||||
integer :: hdferr
|
|
||||||
|
|
||||||
mainProcess: if (worldrank == 0) then
|
|
||||||
write(6,'(/,a)') ' <<<+- CPFEM init -+>>>'
|
write(6,'(/,a)') ' <<<+- CPFEM init -+>>>'
|
||||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||||
#include "compilation_info.f90"
|
#include "compilation_info.f90"
|
||||||
flush(6)
|
flush(6)
|
||||||
endif mainProcess
|
|
||||||
|
|
||||||
! *** restore the last converged values of each essential variable from the binary file
|
! *** restore the last converged values of each essential variable from the binary file
|
||||||
if (restartRead) then
|
if (restartRead) then
|
||||||
|
|
@ -152,34 +152,39 @@ subroutine CPFEM_init
|
||||||
|
|
||||||
write(rankStr,'(a1,i0)')'_',worldrank
|
write(rankStr,'(a1,i0)')'_',worldrank
|
||||||
|
|
||||||
fileReadID = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5')
|
fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5')
|
||||||
|
|
||||||
call HDF5_read(material_phase, fileReadID,'recordedPhase')
|
call HDF5_read(fileHandle,material_phase, 'recordedPhase')
|
||||||
call HDF5_read(crystallite_F0, fileReadID,'convergedF')
|
call HDF5_read(fileHandle,crystallite_F0, 'convergedF')
|
||||||
call HDF5_read(crystallite_Fp0, fileReadID,'convergedFp')
|
call HDF5_read(fileHandle,crystallite_Fp0, 'convergedFp')
|
||||||
call HDF5_read(crystallite_Fi0, fileReadID,'convergedFi')
|
call HDF5_read(fileHandle,crystallite_Fi0, 'convergedFi')
|
||||||
call HDF5_read(crystallite_Lp0, fileReadID,'convergedLp')
|
call HDF5_read(fileHandle,crystallite_Lp0, 'convergedLp')
|
||||||
call HDF5_read(crystallite_Li0, fileReadID,'convergedLi')
|
call HDF5_read(fileHandle,crystallite_Li0, 'convergedLi')
|
||||||
call HDF5_read(crystallite_dPdF0, fileReadID,'convergeddPdF')
|
call HDF5_read(fileHandle,crystallite_dPdF0, 'convergeddPdF')
|
||||||
call HDF5_read(crystallite_Tstar0_v,fileReadID,'convergedTstar')
|
call HDF5_read(fileHandle,crystallite_Tstar0_v,'convergedTstar')
|
||||||
|
|
||||||
groupPlasticID = HDF5_openGroup2(fileReadID,'PlasticPhases')
|
groupPlasticID = HDF5_openGroup(fileHandle,'PlasticPhases')
|
||||||
do ph = 1_pInt,size(phase_plasticity)
|
do ph = 1_pInt,size(phase_plasticity)
|
||||||
write(PlasticItem,*) ph,'_'
|
write(PlasticItem,*) ph,'_'
|
||||||
call HDF5_read(plasticState(ph)%state0,groupPlasticID,trim(PlasticItem)//'convergedStateConst')
|
call HDF5_read(groupPlasticID,plasticState(ph)%state0,trim(PlasticItem)//'convergedStateConst')
|
||||||
enddo
|
enddo
|
||||||
|
call HDF5_closeGroup(groupPlasticID)
|
||||||
|
|
||||||
groupHomogID = HDF5_openGroup2(fileReadID,'HomogStates')
|
groupHomogID = HDF5_openGroup(fileHandle,'HomogStates')
|
||||||
do homog = 1_pInt, material_Nhomogenization
|
do homog = 1_pInt, material_Nhomogenization
|
||||||
write(HomogItem,*) homog,'_'
|
write(HomogItem,*) homog,'_'
|
||||||
call HDF5_read(homogState(homog)%state0, groupHomogID,trim(HomogItem)//'convergedStateHomog')
|
call HDF5_read(groupHomogID,homogState(homog)%state0, trim(HomogItem)//'convergedStateHomog')
|
||||||
enddo
|
enddo
|
||||||
|
call HDF5_closeGroup(groupHomogID)
|
||||||
|
|
||||||
|
call HDF5_closeFile(fileHandle)
|
||||||
|
|
||||||
restartRead = .false.
|
restartRead = .false.
|
||||||
endif
|
endif
|
||||||
|
|
||||||
end subroutine CPFEM_init
|
end subroutine CPFEM_init
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief forwards data after successful increment
|
!> @brief forwards data after successful increment
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
@ -229,31 +234,28 @@ subroutine CPFEM_age()
|
||||||
use HDF5_utilities, only: &
|
use HDF5_utilities, only: &
|
||||||
HDF5_openFile, &
|
HDF5_openFile, &
|
||||||
HDF5_closeFile, &
|
HDF5_closeFile, &
|
||||||
|
HDF5_addGroup, &
|
||||||
HDF5_closeGroup, &
|
HDF5_closeGroup, &
|
||||||
HDF5_addGroup2, &
|
|
||||||
HDF5_write
|
HDF5_write
|
||||||
use hdf5
|
use hdf5
|
||||||
use DAMASK_interface, only: &
|
use DAMASK_interface, only: &
|
||||||
getSolverJobName
|
getSolverJobName
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
|
integer(pInt) :: i, ph, homog, mySource
|
||||||
integer(pInt) :: i, k, l, m, ph, homog, mySource
|
|
||||||
character(len=32) :: rankStr, PlasticItem, HomogItem
|
character(len=32) :: rankStr, PlasticItem, HomogItem
|
||||||
integer(HID_T) :: fileHandle, groupPlastic, groupHomog
|
integer(HID_T) :: fileHandle, groupPlastic, groupHomog
|
||||||
integer :: hdferr
|
|
||||||
integer(HSIZE_T) :: hdfsize
|
|
||||||
|
|
||||||
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
|
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
|
||||||
write(6,'(a)') '<< CPFEM >> aging states'
|
write(6,'(a)') '<< CPFEM >> aging states'
|
||||||
|
|
||||||
crystallite_F0 = crystallite_partionedF ! crystallite deformation (_subF is perturbed...)
|
crystallite_F0 = crystallite_partionedF
|
||||||
crystallite_Fp0 = crystallite_Fp ! crystallite plastic deformation
|
crystallite_Fp0 = crystallite_Fp
|
||||||
crystallite_Lp0 = crystallite_Lp ! crystallite plastic velocity
|
crystallite_Lp0 = crystallite_Lp
|
||||||
crystallite_Fi0 = crystallite_Fi ! crystallite intermediate deformation
|
crystallite_Fi0 = crystallite_Fi
|
||||||
crystallite_Li0 = crystallite_Li ! crystallite intermediate velocity
|
crystallite_Li0 = crystallite_Li
|
||||||
crystallite_dPdF0 = crystallite_dPdF ! crystallite stiffness
|
crystallite_dPdF0 = crystallite_dPdF
|
||||||
crystallite_Tstar0_v = crystallite_Tstar_v ! crystallite 2nd Piola Kirchhoff stress
|
crystallite_Tstar0_v = crystallite_Tstar_v
|
||||||
|
|
||||||
forall (i = 1:size(plasticState)) plasticState(i)%state0 = plasticState(i)%state ! copy state in this lengthy way because: A component cannot be an array if the encompassing structure is an array
|
forall (i = 1:size(plasticState)) plasticState(i)%state0 = plasticState(i)%state ! copy state in this lengthy way because: A component cannot be an array if the encompassing structure is an array
|
||||||
|
|
||||||
|
|
@ -271,30 +273,30 @@ if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
|
||||||
if (restartWrite) then
|
if (restartWrite) then
|
||||||
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
|
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
|
||||||
write(6,'(a)') '<< CPFEM >> writing restart variables of last converged step to hdf5 file'
|
write(6,'(a)') '<< CPFEM >> writing restart variables of last converged step to hdf5 file'
|
||||||
write(rankStr,'(a1,i0)')'_',worldrank
|
|
||||||
|
|
||||||
|
write(rankStr,'(a1,i0)')'_',worldrank
|
||||||
fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5','w')
|
fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5','w')
|
||||||
|
|
||||||
call HDF5_write(material_phase, fileHandle,'recordedPhase')
|
call HDF5_write(fileHandle,material_phase, 'recordedPhase')
|
||||||
call HDF5_write(crystallite_F0, fileHandle,'convergedF')
|
call HDF5_write(fileHandle,crystallite_F0, 'convergedF')
|
||||||
call HDF5_write(crystallite_Fp0, fileHandle,'convergedFp')
|
call HDF5_write(fileHandle,crystallite_Fp0, 'convergedFp')
|
||||||
call HDF5_write(crystallite_Fi0, fileHandle,'convergedFi')
|
call HDF5_write(fileHandle,crystallite_Fi0, 'convergedFi')
|
||||||
call HDF5_write(crystallite_Lp0, fileHandle,'convergedLp')
|
call HDF5_write(fileHandle,crystallite_Lp0, 'convergedLp')
|
||||||
call HDF5_write(crystallite_Li0, fileHandle,'convergedLi')
|
call HDF5_write(fileHandle,crystallite_Li0, 'convergedLi')
|
||||||
call HDF5_write(crystallite_dPdF0, fileHandle,'convergeddPdF')
|
call HDF5_write(fileHandle,crystallite_dPdF0, 'convergeddPdF')
|
||||||
call HDF5_write(crystallite_Tstar0_v,fileHandle,'convergedTstar')
|
call HDF5_write(fileHandle,crystallite_Tstar0_v,'convergedTstar')
|
||||||
|
|
||||||
groupPlastic = HDF5_addGroup2(fileHandle,'PlasticPhases')
|
groupPlastic = HDF5_addGroup(fileHandle,'PlasticPhases')
|
||||||
do ph = 1_pInt,size(phase_plasticity)
|
do ph = 1_pInt,size(phase_plasticity)
|
||||||
write(PlasticItem,*) ph,'_'
|
write(PlasticItem,*) ph,'_'
|
||||||
call HDF5_write(plasticState(ph)%state0,groupPlastic,trim(PlasticItem)//'convergedStateConst')
|
call HDF5_write(groupPlastic,plasticState(ph)%state0,trim(PlasticItem)//'convergedStateConst')
|
||||||
enddo
|
enddo
|
||||||
call HDF5_closeGroup(groupPlastic)
|
call HDF5_closeGroup(groupPlastic)
|
||||||
|
|
||||||
groupHomog = HDF5_addGroup2(fileHandle,'HomogStates')
|
groupHomog = HDF5_addGroup(fileHandle,'HomogStates')
|
||||||
do homog = 1_pInt, material_Nhomogenization
|
do homog = 1_pInt, material_Nhomogenization
|
||||||
write(HomogItem,*) homog,'_'
|
write(HomogItem,*) homog,'_'
|
||||||
call HDF5_write(homogState(homog)%state0,groupHomog,trim(HomogItem)//'convergedStateHomog')
|
call HDF5_write(groupHomog,homogState(homog)%state0,trim(HomogItem)//'convergedStateHomog')
|
||||||
enddo
|
enddo
|
||||||
call HDF5_closeGroup(groupHomog)
|
call HDF5_closeGroup(groupHomog)
|
||||||
|
|
||||||
|
|
@ -307,4 +309,27 @@ if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
|
||||||
|
|
||||||
end subroutine CPFEM_age
|
end subroutine CPFEM_age
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief triggers writing of the results
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
subroutine CPFEM_results(inc,time)
|
||||||
|
use prec, only: &
|
||||||
|
pInt
|
||||||
|
use results
|
||||||
|
use HDF5_utilities
|
||||||
|
use constitutive, only: &
|
||||||
|
constitutive_results
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
integer(pInt), intent(in) :: inc
|
||||||
|
real(pReal), intent(in) :: time
|
||||||
|
|
||||||
|
call results_openJobFile
|
||||||
|
call results_addIncrement(inc,time)
|
||||||
|
call constitutive_results()
|
||||||
|
call results_removeLink('current') ! ToDo: put this into closeJobFile
|
||||||
|
call results_closeJobFile
|
||||||
|
|
||||||
|
end subroutine CPFEM_results
|
||||||
|
|
||||||
end module CPFEM2
|
end module CPFEM2
|
||||||
|
|
|
||||||
|
|
@ -46,7 +46,8 @@ program DAMASK_spectral
|
||||||
grid, &
|
grid, &
|
||||||
geomSize
|
geomSize
|
||||||
use CPFEM2, only: &
|
use CPFEM2, only: &
|
||||||
CPFEM_initAll
|
CPFEM_initAll, &
|
||||||
|
CPFEM_results
|
||||||
use FEsolving, only: &
|
use FEsolving, only: &
|
||||||
restartWrite, &
|
restartWrite, &
|
||||||
restartInc
|
restartInc
|
||||||
|
|
@ -80,6 +81,7 @@ program DAMASK_spectral
|
||||||
use spectral_mech_Polarisation
|
use spectral_mech_Polarisation
|
||||||
use spectral_damage
|
use spectral_damage
|
||||||
use spectral_thermal
|
use spectral_thermal
|
||||||
|
use results
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
|
|
||||||
|
|
@ -157,6 +159,9 @@ program DAMASK_spectral
|
||||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||||
#include "compilation_info.f90"
|
#include "compilation_info.f90"
|
||||||
|
|
||||||
|
|
||||||
|
call results_openJobFile()
|
||||||
|
call results_closeJobFile()
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! initialize field solver information
|
! initialize field solver information
|
||||||
nActiveFields = 1
|
nActiveFields = 1
|
||||||
|
|
@ -420,6 +425,7 @@ program DAMASK_spectral
|
||||||
|
|
||||||
writeUndeformed: if (interface_restartInc < 1_pInt) then
|
writeUndeformed: if (interface_restartInc < 1_pInt) then
|
||||||
write(6,'(1/,a)') ' ... writing initial configuration to file ........................'
|
write(6,'(1/,a)') ' ... writing initial configuration to file ........................'
|
||||||
|
call CPFEM_results(0_pInt,0.0_pReal)
|
||||||
do i = 1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
|
do i = 1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
|
||||||
outputIndex = int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, & ! QUESTION: why not starting i at 0 instead of murky 1?
|
outputIndex = int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, & ! QUESTION: why not starting i at 0 instead of murky 1?
|
||||||
min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
|
min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
|
||||||
|
|
@ -596,6 +602,7 @@ program DAMASK_spectral
|
||||||
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_write')
|
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_write')
|
||||||
enddo
|
enddo
|
||||||
fileOffset = fileOffset + sum(outputSize) ! forward to current file position
|
fileOffset = fileOffset + sum(outputSize) ! forward to current file position
|
||||||
|
call CPFEM_results(totalIncsCounter,time)
|
||||||
endif
|
endif
|
||||||
if ( loadCases(currentLoadCase)%restartFrequency > 0_pInt & ! writing of restart info requested ...
|
if ( loadCases(currentLoadCase)%restartFrequency > 0_pInt & ! writing of restart info requested ...
|
||||||
.and. mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! ... and at frequency of writing restart information
|
.and. mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! ... and at frequency of writing restart information
|
||||||
|
|
|
||||||
File diff suppressed because it is too large
Load Diff
|
|
@ -4,12 +4,12 @@
|
||||||
!> @details List of files needed by MSC.Marc, Abaqus/Explicit, and Abaqus/Standard
|
!> @details List of files needed by MSC.Marc, Abaqus/Explicit, and Abaqus/Standard
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
#include "IO.f90"
|
#include "IO.f90"
|
||||||
#ifdef DAMASKHDF5
|
|
||||||
#include "HDF5_utilities.f90"
|
|
||||||
#endif
|
|
||||||
#include "numerics.f90"
|
#include "numerics.f90"
|
||||||
#include "debug.f90"
|
#include "debug.f90"
|
||||||
#include "config.f90"
|
#include "config.f90"
|
||||||
|
#ifdef DAMASKHDF5
|
||||||
|
#include "HDF5_utilities.f90"
|
||||||
|
#endif
|
||||||
#include "math.f90"
|
#include "math.f90"
|
||||||
#include "FEsolving.f90"
|
#include "FEsolving.f90"
|
||||||
#include "mesh.f90"
|
#include "mesh.f90"
|
||||||
|
|
|
||||||
|
|
@ -1,4 +1,4 @@
|
||||||
!--------------------------------------------------------------------------------------------------
|
!-------------------------------------------------------------------------------------------------
|
||||||
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
|
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
|
||||||
!> @brief Reads in the material configuration from file
|
!> @brief Reads in the material configuration from file
|
||||||
!> @details Reads the material configuration file, where solverJobName.materialConfig takes
|
!> @details Reads the material configuration file, where solverJobName.materialConfig takes
|
||||||
|
|
@ -220,7 +220,7 @@ subroutine parseFile(sectionNames,part,line, &
|
||||||
partPosition = [partPosition, i] ! needed when actually storing content
|
partPosition = [partPosition, i] ! needed when actually storing content
|
||||||
|
|
||||||
do i = 1_pInt, size(partPosition) -1_pInt
|
do i = 1_pInt, size(partPosition) -1_pInt
|
||||||
sectionNames(i) = trim(adjustl(fileContent(partPosition(i))))
|
sectionNames(i) = trim(adjustl(IO_getTag(fileContent(partPosition(i)),'[',']')))
|
||||||
do j = partPosition(i) + 1_pInt, partPosition(i+1) -1_pInt
|
do j = partPosition(i) + 1_pInt, partPosition(i+1) -1_pInt
|
||||||
call part(i)%add(trim(adjustl(fileContent(j))))
|
call part(i)%add(trim(adjustl(fileContent(j))))
|
||||||
enddo
|
enddo
|
||||||
|
|
|
||||||
|
|
@ -25,7 +25,8 @@ module constitutive
|
||||||
constitutive_SandItsTangents, &
|
constitutive_SandItsTangents, &
|
||||||
constitutive_collectDotState, &
|
constitutive_collectDotState, &
|
||||||
constitutive_collectDeltaState, &
|
constitutive_collectDeltaState, &
|
||||||
constitutive_postResults
|
constitutive_postResults, &
|
||||||
|
constitutive_results
|
||||||
|
|
||||||
private :: &
|
private :: &
|
||||||
constitutive_hooke_SandItsTangents
|
constitutive_hooke_SandItsTangents
|
||||||
|
|
@ -1126,4 +1127,43 @@ function constitutive_postResults(S6, Fi, FeArray, ipc, ip, el)
|
||||||
|
|
||||||
end function constitutive_postResults
|
end function constitutive_postResults
|
||||||
|
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief writes constitutive results to HDF5 output file
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
subroutine constitutive_results()
|
||||||
|
use material, only: &
|
||||||
|
PLASTICITY_ISOTROPIC_ID, &
|
||||||
|
PLASTICITY_PHENOPOWERLAW_ID, &
|
||||||
|
PLASTICITY_KINEHARDENING_ID, &
|
||||||
|
PLASTICITY_DISLOTWIN_ID, &
|
||||||
|
PLASTICITY_DISLOUCLA_ID, &
|
||||||
|
PLASTICITY_NONLOCAL_ID
|
||||||
|
#if defined(PETSc) || defined(DAMASKHDF5)
|
||||||
|
use results
|
||||||
|
use HDF5_utilities
|
||||||
|
use config, only: &
|
||||||
|
config_name_phase => phase_name ! anticipate logical name
|
||||||
|
|
||||||
|
use material, only: &
|
||||||
|
phase_plasticityInstance, &
|
||||||
|
material_phase_plasticity_type => phase_plasticity
|
||||||
|
use plastic_phenopowerlaw, only: &
|
||||||
|
plastic_phenopowerlaw_results
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
integer(pInt) :: p
|
||||||
|
call HDF5_closeGroup(results_addGroup('current/phase'))
|
||||||
|
do p=1,size(config_name_phase)
|
||||||
|
call HDF5_closeGroup(results_addGroup('current/phase/'//trim(config_name_phase(p))))
|
||||||
|
if (material_phase_plasticity_type(p) == PLASTICITY_PHENOPOWERLAW_ID) then
|
||||||
|
call plastic_phenopowerlaw_results(phase_plasticityInstance(p),'current/phase/'//trim(config_name_phase(p)))
|
||||||
|
endif
|
||||||
|
enddo
|
||||||
|
|
||||||
|
#endif
|
||||||
|
|
||||||
|
|
||||||
|
end subroutine constitutive_results
|
||||||
|
|
||||||
end module constitutive
|
end module constitutive
|
||||||
|
|
|
||||||
|
|
@ -92,13 +92,15 @@ module plastic_phenopowerlaw
|
||||||
plastic_phenopowerlaw_init, &
|
plastic_phenopowerlaw_init, &
|
||||||
plastic_phenopowerlaw_LpAndItsTangent, &
|
plastic_phenopowerlaw_LpAndItsTangent, &
|
||||||
plastic_phenopowerlaw_dotState, &
|
plastic_phenopowerlaw_dotState, &
|
||||||
plastic_phenopowerlaw_postResults
|
plastic_phenopowerlaw_postResults, &
|
||||||
|
plastic_phenopowerlaw_results
|
||||||
private :: &
|
private :: &
|
||||||
kinetics_slip, &
|
kinetics_slip, &
|
||||||
kinetics_twin
|
kinetics_twin
|
||||||
|
|
||||||
contains
|
contains
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief module initialization
|
!> @brief module initialization
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
|
|
@ -575,6 +577,35 @@ function plastic_phenopowerlaw_postResults(Mp,instance,of) result(postResults)
|
||||||
end function plastic_phenopowerlaw_postResults
|
end function plastic_phenopowerlaw_postResults
|
||||||
|
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief writes results to HDF5 output file
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
subroutine plastic_phenopowerlaw_results(instance,group)
|
||||||
|
#if defined(PETSc) || defined(DAMASKHDF5)
|
||||||
|
use results
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
integer(pInt), intent(in) :: instance
|
||||||
|
character(len=*) :: group
|
||||||
|
integer(pInt) :: o
|
||||||
|
|
||||||
|
associate(prm => param(instance), stt => state(instance))
|
||||||
|
outputsLoop: do o = 1_pInt,size(prm%outputID)
|
||||||
|
select case(prm%outputID(o))
|
||||||
|
case (resistance_slip_ID)
|
||||||
|
call results_writeVectorDataset(group,stt%xi_slip,'xi_slip','Pa')
|
||||||
|
case (accumulatedshear_slip_ID)
|
||||||
|
call results_writeVectorDataset(group,stt%gamma_slip,'gamma_slip','-')
|
||||||
|
end select
|
||||||
|
enddo outputsLoop
|
||||||
|
end associate
|
||||||
|
#else
|
||||||
|
integer(pInt), intent(in) :: instance
|
||||||
|
character(len=*) :: group
|
||||||
|
#endif
|
||||||
|
end subroutine plastic_phenopowerlaw_results
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief Shear rates on slip systems and their derivatives with respect to resolved stress
|
!> @brief Shear rates on slip systems and their derivatives with respect to resolved stress
|
||||||
!> @details Derivatives are calculated only optionally.
|
!> @details Derivatives are calculated only optionally.
|
||||||
|
|
|
||||||
|
|
@ -23,6 +23,8 @@ subroutine quit(stop_id)
|
||||||
integer(pInt) :: error = 0_pInt
|
integer(pInt) :: error = 0_pInt
|
||||||
PetscErrorCode :: ierr = 0
|
PetscErrorCode :: ierr = 0
|
||||||
|
|
||||||
|
call h5open_f(hdferr)
|
||||||
|
if (hdferr /= 0) write(6,'(a,i5)') ' Error in h5open_f',hdferr ! prevents error if not opened yet
|
||||||
call h5close_f(hdferr)
|
call h5close_f(hdferr)
|
||||||
if (hdferr /= 0) write(6,'(a,i5)') ' Error in h5close_f',hdferr
|
if (hdferr /= 0) write(6,'(a,i5)') ' Error in h5close_f',hdferr
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -0,0 +1,974 @@
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @author Vitesh Shah, Max-Planck-Institut für Eisenforschung GmbH
|
||||||
|
!> @author Yi-Chin Yang, Max-Planck-Institut für Eisenforschung GmbH
|
||||||
|
!> @author Jennifer Nastola, Max-Planck-Institut für Eisenforschung GmbH
|
||||||
|
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
module results
|
||||||
|
use prec
|
||||||
|
use IO
|
||||||
|
use HDF5
|
||||||
|
use HDF5_utilities
|
||||||
|
#ifdef PETSc
|
||||||
|
use PETSC
|
||||||
|
#endif
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
private
|
||||||
|
integer(HID_T), public, protected :: tempCoordinates, tempResults
|
||||||
|
integer(HID_T), private :: resultsFile, currentIncID, plist_id
|
||||||
|
|
||||||
|
|
||||||
|
public :: &
|
||||||
|
results_init, &
|
||||||
|
results_openJobFile, &
|
||||||
|
results_closeJobFile, &
|
||||||
|
results_addIncrement, &
|
||||||
|
results_addGroup, &
|
||||||
|
results_openGroup, &
|
||||||
|
results_writeVectorDataset, &
|
||||||
|
results_setLink, &
|
||||||
|
results_removeLink
|
||||||
|
contains
|
||||||
|
|
||||||
|
subroutine results_init
|
||||||
|
use, intrinsic :: &
|
||||||
|
iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
||||||
|
use DAMASK_interface, only: &
|
||||||
|
getSolverJobName
|
||||||
|
implicit none
|
||||||
|
|
||||||
|
write(6,'(/,a)') ' <<<+- results init -+>>>'
|
||||||
|
#include "compilation_info.f90"
|
||||||
|
|
||||||
|
call HDF5_closeFile(HDF5_openFile(trim(getSolverJobName())//'.hdf5','w',.true.))
|
||||||
|
|
||||||
|
end subroutine results_init
|
||||||
|
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief opens the results file to append data
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
subroutine results_openJobFile()
|
||||||
|
use DAMASK_interface, only: &
|
||||||
|
getSolverJobName
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
character(len=pStringLen) :: commandLine
|
||||||
|
|
||||||
|
resultsFile = HDF5_openFile(trim(getSolverJobName())//'.hdf5','a',.true.)
|
||||||
|
call HDF5_addAttribute(resultsFile,'DADF5',0.1_pReal)
|
||||||
|
call HDF5_addAttribute(resultsFile,'DAMASK',DAMASKVERSION)
|
||||||
|
call get_command(commandLine)
|
||||||
|
call HDF5_addAttribute(resultsFile,'call',trim(commandLine))
|
||||||
|
|
||||||
|
end subroutine results_openJobFile
|
||||||
|
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief closes the results file
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
subroutine results_closeJobFile()
|
||||||
|
implicit none
|
||||||
|
|
||||||
|
call HDF5_closeFile(resultsFile)
|
||||||
|
|
||||||
|
end subroutine results_closeJobFile
|
||||||
|
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief closes the results file
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
subroutine results_addIncrement(inc,time)
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
integer(pInt), intent(in) :: inc
|
||||||
|
real(pReal), intent(in) :: time
|
||||||
|
character(len=pStringLen) :: incChar
|
||||||
|
|
||||||
|
write(incChar,*) inc
|
||||||
|
call HDF5_closeGroup(results_addGroup(trim('inc'//trim(adjustl(incChar)))))
|
||||||
|
call results_setLink(trim('inc'//trim(adjustl(incChar))),'current')
|
||||||
|
call HDF5_addAttribute(resultsFile,'time/s',time,trim('inc'//trim(adjustl(incChar))))
|
||||||
|
|
||||||
|
end subroutine results_addIncrement
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief open a group from the results file
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
integer(HID_T) function results_openGroup(groupName)
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
character(len=*), intent(in) :: groupName
|
||||||
|
|
||||||
|
results_openGroup = HDF5_openGroup(resultsFile,groupName)
|
||||||
|
|
||||||
|
end function results_openGroup
|
||||||
|
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief adds a new group to the results file
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
integer(HID_T) function results_addGroup(groupName)
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
character(len=*), intent(in) :: groupName
|
||||||
|
|
||||||
|
results_addGroup = HDF5_addGroup(resultsFile,groupName)
|
||||||
|
|
||||||
|
end function results_addGroup
|
||||||
|
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief set link to object in results file
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
subroutine results_setLink(path,link)
|
||||||
|
use hdf5_utilities, only: &
|
||||||
|
HDF5_setLink
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
character(len=*), intent(in) :: path, link
|
||||||
|
|
||||||
|
call HDF5_setLink(resultsFile,path,link)
|
||||||
|
|
||||||
|
end subroutine results_setLink
|
||||||
|
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief remove link to an object
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
subroutine results_removeLink(link)
|
||||||
|
use hdf5
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
character(len=*), intent(in) :: link
|
||||||
|
integer :: hdferr
|
||||||
|
|
||||||
|
call h5ldelete_f(resultsFile,link, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg = 'results_removeLink: h5ldelete_soft_f ('//trim(link)//')')
|
||||||
|
|
||||||
|
end subroutine results_removeLink
|
||||||
|
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief stores a vector dataset in a group
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
subroutine results_writeVectorDataset(group,dataset,label,SIunit)
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
character(len=*), intent(in) :: SIunit,label,group
|
||||||
|
real(pReal), intent(inout), dimension(:,:) :: dataset
|
||||||
|
integer(HID_T) :: groupHandle
|
||||||
|
|
||||||
|
groupHandle = results_openGroup(group)
|
||||||
|
call HDF5_write(groupHandle,dataset,label)
|
||||||
|
if (HDF5_objectExists(groupHandle,label)) &
|
||||||
|
call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
|
||||||
|
call HDF5_closeGroup(groupHandle)
|
||||||
|
|
||||||
|
end subroutine results_writeVectorDataset
|
||||||
|
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief adds the unique mapping from spatial position and constituent ID to results
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
subroutine HDF5_mappingPhase(mapping,mapping2,Nconstituents,material_phase,phase_name,dataspace_size,mpiOffset,mpiOffset_phase)
|
||||||
|
use hdf5
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
integer(pInt), intent(in) :: Nconstituents, dataspace_size, mpiOffset
|
||||||
|
integer(pInt), intent(in), dimension(:) :: mapping, mapping2
|
||||||
|
character(len=*), intent(in), dimension(:) :: phase_name
|
||||||
|
integer(pInt), intent(in), dimension(:) :: mpiOffset_phase
|
||||||
|
integer(pInt), intent(in), dimension(:,:,:) :: material_phase
|
||||||
|
|
||||||
|
character(len=len(phase_name(1))), dimension(:), allocatable :: namesNA
|
||||||
|
character(len=len(phase_name(1))) :: a
|
||||||
|
character(len=*), parameter :: n = "NULL"
|
||||||
|
|
||||||
|
integer(pInt) :: hdferr, NmatPoints, i, j, k
|
||||||
|
integer(HID_T) :: mapping_id, dtype_id, dset_id, space_id, name_id, position_id, plist_id, memspace
|
||||||
|
integer(HID_T) :: dt5_id ! Memory datatype identifier
|
||||||
|
integer(SIZE_T) :: typesize, type_sizec, type_sizei, type_size
|
||||||
|
|
||||||
|
integer(HSIZE_T), dimension(2) :: counter
|
||||||
|
integer(HSSIZE_T), dimension(2) :: fileOffset
|
||||||
|
integer(pInt), dimension(:,:), allocatable :: arrOffset
|
||||||
|
|
||||||
|
a = n
|
||||||
|
allocate(namesNA(0:size(phase_name)),source=[a,phase_name])
|
||||||
|
NmatPoints = size(mapping,1)/Nconstituents
|
||||||
|
mapping_ID = results_openGroup("current/mapGeometry")
|
||||||
|
|
||||||
|
allocate(arrOffset(Nconstituents,NmatPoints))
|
||||||
|
do i=1_pInt, NmatPoints
|
||||||
|
do k=1_pInt, Nconstituents
|
||||||
|
do j=1_pInt, size(phase_name)
|
||||||
|
if(material_phase(k,1,i) == j) &
|
||||||
|
arrOffset(k,i) = mpiOffset_phase(j)
|
||||||
|
enddo
|
||||||
|
enddo
|
||||||
|
enddo
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! create dataspace
|
||||||
|
call h5screate_simple_f(2, int([Nconstituents,dataspace_size],HSIZE_T), space_id, hdferr, &
|
||||||
|
int([Nconstituents,dataspace_size],HSIZE_T))
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_writeMapping')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! compound type
|
||||||
|
! First calculate total size by calculating sizes of each member
|
||||||
|
!
|
||||||
|
CALL h5tcopy_f(H5T_NATIVE_CHARACTER, dt5_id, hdferr)
|
||||||
|
typesize = len(phase_name(1))
|
||||||
|
CALL h5tset_size_f(dt5_id, typesize, hdferr)
|
||||||
|
CALL h5tget_size_f(dt5_id, type_sizec, hdferr)
|
||||||
|
CALL h5tget_size_f(H5T_STD_I32LE,type_sizei, hdferr)
|
||||||
|
type_size = type_sizec + type_sizei
|
||||||
|
call h5tcreate_f(H5T_COMPOUND_F, type_size, dtype_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_writeMapping: h5tcreate_f dtype_id')
|
||||||
|
|
||||||
|
call h5tinsert_f(dtype_id, "Name", 0_SIZE_T, dt5_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5tinsert_f 0')
|
||||||
|
call h5tinsert_f(dtype_id, "Position", type_sizec, H5T_STD_I32LE, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5tinsert_f 2')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! create Dataset
|
||||||
|
call h5dcreate_f(mapping_id, 'constitutive', dtype_id, space_id, dset_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! Create memory types (one compound datatype for each member)
|
||||||
|
call h5tcreate_f(H5T_COMPOUND_F, int(type_sizec,SIZE_T), name_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5tcreate_f instance_id')
|
||||||
|
call h5tinsert_f(name_id, "Name", 0_SIZE_T, dt5_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5tinsert_f instance_id')
|
||||||
|
|
||||||
|
call h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), position_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5tcreate_f position_id')
|
||||||
|
call h5tinsert_f(position_id, "Position", 0_SIZE_T, H5T_STD_I32LE, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5tinsert_f position_id')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! Define and select hyperslabs
|
||||||
|
counter(1) = Nconstituents ! how big i am
|
||||||
|
counter(2) = NmatPoints
|
||||||
|
fileOffset(1) = 0 ! where i start to write my data
|
||||||
|
fileOffset(2) = mpiOffset
|
||||||
|
|
||||||
|
call h5screate_simple_f(2, counter, memspace, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5screate_simple_f')
|
||||||
|
call h5dget_space_f(dset_id, space_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5dget_space_f')
|
||||||
|
call h5sselect_hyperslab_f(space_id, H5S_SELECT_SET_F, fileOffset, counter, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5sselect_hyperslab_f')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! Create property list for collective dataset write
|
||||||
|
#ifdef PETSc
|
||||||
|
call h5pcreate_f(H5P_DATASET_XFER_F, plist_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5pcreate_f')
|
||||||
|
call h5pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5pset_dxpl_mpio_f')
|
||||||
|
#endif
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! write data by fields in the datatype. Fields order is not important.
|
||||||
|
call h5dwrite_f(dset_id, name_id, reshape(namesNA(mapping),[Nconstituents,NmatPoints]), &
|
||||||
|
int([Nconstituents, dataspace_size],HSIZE_T), hdferr, &
|
||||||
|
file_space_id = space_id, mem_space_id = memspace, xfer_prp = plist_id)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5dwrite_f position_id')
|
||||||
|
|
||||||
|
call h5dwrite_f(dset_id, position_id, reshape(mapping2-1_pInt,[Nconstituents,NmatPoints])+arrOffset, &
|
||||||
|
int([Nconstituents, dataspace_size],HSIZE_T), hdferr, &
|
||||||
|
file_space_id = space_id, mem_space_id = memspace, xfer_prp = plist_id)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5dwrite_f instance_id')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! close types, dataspaces
|
||||||
|
call h5tclose_f(dtype_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5tclose_f dtype_id')
|
||||||
|
call h5tclose_f(position_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5tclose_f position_id')
|
||||||
|
call h5tclose_f(name_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5tclose_f name_id ')
|
||||||
|
call h5tclose_f(dt5_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5tclose_f dt5_id')
|
||||||
|
call h5dclose_f(dset_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5dclose_f')
|
||||||
|
call h5sclose_f(space_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5sclose_f space_id')
|
||||||
|
call h5sclose_f(memspace, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5sclose_f memspace')
|
||||||
|
call h5pclose_f(plist_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5pclose_f')
|
||||||
|
call HDF5_closeGroup(mapping_ID)
|
||||||
|
|
||||||
|
end subroutine HDF5_mappingPhase
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief adds the backward mapping from spatial position and constituent ID to results
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
subroutine HDF5_backwardMappingPhase(material_phase,phasememberat,phase_name,dataspace_size,mpiOffset,mpiOffset_phase)
|
||||||
|
use hdf5
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
integer(pInt), intent(in), dimension(:,:,:) :: material_phase, phasememberat
|
||||||
|
character(len=*), intent(in), dimension(:) :: phase_name
|
||||||
|
integer(pInt), intent(in), dimension(:) :: dataspace_size, mpiOffset_phase
|
||||||
|
integer(pInt), intent(in) :: mpiOffset
|
||||||
|
|
||||||
|
integer(pInt) :: hdferr, NmatPoints, Nconstituents, i, j
|
||||||
|
integer(HID_T) :: mapping_id, dtype_id, dset_id, space_id, position_id, plist_id, memspace
|
||||||
|
integer(SIZE_T) :: type_size
|
||||||
|
|
||||||
|
integer(pInt), dimension(:,:), allocatable :: arr
|
||||||
|
|
||||||
|
integer(HSIZE_T), dimension(1) :: counter
|
||||||
|
integer(HSSIZE_T), dimension(1) :: fileOffset
|
||||||
|
|
||||||
|
character(len=64) :: phaseID
|
||||||
|
|
||||||
|
Nconstituents = size(phasememberat,1)
|
||||||
|
NmatPoints = count(material_phase /=0_pInt)/Nconstituents
|
||||||
|
|
||||||
|
allocate(arr(2,NmatPoints*Nconstituents))
|
||||||
|
|
||||||
|
do i=1_pInt, NmatPoints
|
||||||
|
do j=Nconstituents-1_pInt, 0_pInt, -1_pInt
|
||||||
|
arr(1,Nconstituents*i-j) = i-1_pInt
|
||||||
|
enddo
|
||||||
|
enddo
|
||||||
|
arr(2,:) = pack(material_phase,material_phase/=0_pInt)
|
||||||
|
|
||||||
|
do i=1_pInt, size(phase_name)
|
||||||
|
write(phaseID, '(i0)') i
|
||||||
|
mapping_ID = results_openGroup('/current/constitutive/'//trim(phaseID)//'_'//phase_name(i))
|
||||||
|
NmatPoints = count(material_phase == i)
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! create dataspace
|
||||||
|
call h5screate_simple_f(1, int([dataspace_size(i)],HSIZE_T), space_id, hdferr, &
|
||||||
|
int([dataspace_size(i)],HSIZE_T))
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_writeBackwardMapping')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! compound type
|
||||||
|
call h5tget_size_f(H5T_STD_I32LE, type_size, hdferr)
|
||||||
|
call h5tcreate_f(H5T_COMPOUND_F, type_size, dtype_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_writeBackwardMapping: h5tcreate_f dtype_id')
|
||||||
|
|
||||||
|
call h5tinsert_f(dtype_id, "Position", 0_SIZE_T, H5T_STD_I32LE, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5tinsert_f 0')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! create Dataset
|
||||||
|
call h5dcreate_f(mapping_id, 'mapGeometry', dtype_id, space_id, dset_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! Create memory types (one compound datatype for each member)
|
||||||
|
call h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), position_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5tcreate_f position_id')
|
||||||
|
call h5tinsert_f(position_id, "Position", 0_SIZE_T, H5T_STD_I32LE, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5tinsert_f position_id')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! Define and select hyperslabs
|
||||||
|
counter = NmatPoints ! how big i am
|
||||||
|
fileOffset = mpiOffset_phase(i) ! where i start to write my data
|
||||||
|
|
||||||
|
call h5screate_simple_f(1, counter, memspace, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5screate_simple_f')
|
||||||
|
call h5dget_space_f(dset_id, space_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5dget_space_f')
|
||||||
|
call h5sselect_hyperslab_f(space_id, H5S_SELECT_SET_F, fileOffset, counter, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5sselect_hyperslab_f')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! Create property list for collective dataset write
|
||||||
|
#ifdef PETSc
|
||||||
|
call h5pcreate_f(H5P_DATASET_XFER_F, plist_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5pcreate_f')
|
||||||
|
call h5pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5pset_dxpl_mpio_f')
|
||||||
|
#endif
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! write data by fields in the datatype. Fields order is not important.
|
||||||
|
call h5dwrite_f(dset_id, position_id, pack(arr(1,:),arr(2,:)==i)+mpiOffset, int([dataspace_size(i)],HSIZE_T),&
|
||||||
|
hdferr, file_space_id = space_id, mem_space_id = memspace, xfer_prp = plist_id)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5dwrite_f instance_id')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!close types, dataspaces
|
||||||
|
call h5tclose_f(dtype_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5tclose_f dtype_id')
|
||||||
|
call h5tclose_f(position_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5tclose_f position_id')
|
||||||
|
call h5dclose_f(dset_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5dclose_f')
|
||||||
|
call h5sclose_f(space_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5sclose_f space_id')
|
||||||
|
call h5sclose_f(memspace, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5sclose_f memspace')
|
||||||
|
call h5pclose_f(plist_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5pclose_f')
|
||||||
|
call HDF5_closeGroup(mapping_ID)
|
||||||
|
|
||||||
|
enddo
|
||||||
|
|
||||||
|
end subroutine HDF5_backwardMappingPhase
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief adds the unique mapping from spatial position and constituent ID to results
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
subroutine HDF5_mappingHomog(material_homog,homogmemberat,homogenization_name,dataspace_size,mpiOffset,mpiOffset_homog)
|
||||||
|
use hdf5
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
integer(pInt), intent(in), dimension(:,:) :: material_homog, homogmemberat
|
||||||
|
character(len=*), intent(in), dimension(:) :: homogenization_name
|
||||||
|
integer(pInt), intent(in), dimension(:) :: mpiOffset_homog
|
||||||
|
integer(pInt), intent(in) :: dataspace_size, mpiOffset
|
||||||
|
|
||||||
|
integer(pInt) :: hdferr, NmatPoints, i, j
|
||||||
|
integer(HID_T) :: mapping_id, dtype_id, dset_id, space_id, name_id, position_id, plist_id, memspace
|
||||||
|
|
||||||
|
integer(HID_T) :: dt5_id ! Memory datatype identifier
|
||||||
|
integer(SIZE_T) :: typesize, type_sizec, type_sizei, type_size
|
||||||
|
|
||||||
|
integer(HSIZE_T), dimension(1) :: counter
|
||||||
|
integer(HSSIZE_T), dimension(1) :: fileOffset
|
||||||
|
integer(pInt), dimension(:), allocatable :: arrOffset
|
||||||
|
|
||||||
|
NmatPoints = count(material_homog /=0_pInt)
|
||||||
|
mapping_ID = results_openGroup("current/mapGeometry")
|
||||||
|
|
||||||
|
allocate(arrOffset(NmatPoints))
|
||||||
|
do i=1_pInt, NmatPoints
|
||||||
|
do j=1_pInt, size(homogenization_name)
|
||||||
|
if(material_homog(1,i) == j) &
|
||||||
|
arrOffset(i) = mpiOffset_homog(j)
|
||||||
|
enddo
|
||||||
|
enddo
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! create dataspace
|
||||||
|
call h5screate_simple_f(1, int([dataspace_size],HSIZE_T), space_id, hdferr, &
|
||||||
|
int([dataspace_size],HSIZE_T))
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_writeMapping')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! compound type
|
||||||
|
! First calculate total size by calculating sizes of each member
|
||||||
|
!
|
||||||
|
CALL h5tcopy_f(H5T_NATIVE_CHARACTER, dt5_id, hdferr)
|
||||||
|
typesize = len(homogenization_name(1))
|
||||||
|
CALL h5tset_size_f(dt5_id, typesize, hdferr)
|
||||||
|
CALL h5tget_size_f(dt5_id, type_sizec, hdferr)
|
||||||
|
CALL h5tget_size_f(H5T_STD_I32LE,type_sizei, hdferr)
|
||||||
|
type_size = type_sizec + type_sizei
|
||||||
|
call h5tcreate_f(H5T_COMPOUND_F, type_size, dtype_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_writeMapping: h5tcreate_f dtype_id')
|
||||||
|
|
||||||
|
call h5tinsert_f(dtype_id, "Name", 0_SIZE_T, dt5_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5tinsert_f 0')
|
||||||
|
call h5tinsert_f(dtype_id, "Position", type_sizec, H5T_STD_I32LE, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5tinsert_f 2')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! create Dataset
|
||||||
|
call h5dcreate_f(mapping_id, 'homogenization', dtype_id, space_id, dset_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! Create memory types (one compound datatype for each member)
|
||||||
|
call h5tcreate_f(H5T_COMPOUND_F, int(type_sizec,SIZE_T), name_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5tcreate_f instance_id')
|
||||||
|
call h5tinsert_f(name_id, "Name", 0_SIZE_T, dt5_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5tinsert_f instance_id')
|
||||||
|
|
||||||
|
call h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), position_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5tcreate_f position_id')
|
||||||
|
call h5tinsert_f(position_id, "Position", 0_SIZE_T, H5T_STD_I32LE, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5tinsert_f position_id')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! Define and select hyperslabs
|
||||||
|
counter = NmatPoints ! how big i am
|
||||||
|
fileOffset = mpiOffset ! where i start to write my data
|
||||||
|
|
||||||
|
call h5screate_simple_f(1, counter, memspace, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5screate_simple_f')
|
||||||
|
call h5dget_space_f(dset_id, space_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5dget_space_f')
|
||||||
|
call h5sselect_hyperslab_f(space_id, H5S_SELECT_SET_F, fileOffset, counter, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5sselect_hyperslab_f')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! Create property list for collective dataset write
|
||||||
|
#ifdef PETSc
|
||||||
|
call h5pcreate_f(H5P_DATASET_XFER_F, plist_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5pcreate_f')
|
||||||
|
call h5pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5pset_dxpl_mpio_f')
|
||||||
|
#endif
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! write data by fields in the datatype. Fields order is not important.
|
||||||
|
call h5dwrite_f(dset_id, name_id, homogenization_name(pack(material_homog,material_homog/=0_pInt)), &
|
||||||
|
int([dataspace_size],HSIZE_T), hdferr, file_space_id = space_id, &
|
||||||
|
mem_space_id = memspace, xfer_prp = plist_id)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5dwrite_f position_id')
|
||||||
|
|
||||||
|
call h5dwrite_f(dset_id, position_id, pack(homogmemberat-1_pInt,homogmemberat/=0_pInt) + arrOffset, &
|
||||||
|
int([dataspace_size],HSIZE_T), hdferr, file_space_id = space_id, &
|
||||||
|
mem_space_id = memspace, xfer_prp = plist_id)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5dwrite_f instance_id')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!close types, dataspaces
|
||||||
|
call h5tclose_f(dtype_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5tclose_f dtype_id')
|
||||||
|
call h5tclose_f(position_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5tclose_f position_id')
|
||||||
|
call h5tclose_f(name_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5tclose_f name_id ')
|
||||||
|
call h5tclose_f(dt5_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5tclose_f dt5_id')
|
||||||
|
call h5dclose_f(dset_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5dclose_f')
|
||||||
|
call h5sclose_f(space_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5sclose_f space_id')
|
||||||
|
call h5sclose_f(memspace, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5sclose_f memspace')
|
||||||
|
call h5pclose_f(plist_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5pclose_f')
|
||||||
|
call HDF5_closeGroup(mapping_ID)
|
||||||
|
|
||||||
|
end subroutine HDF5_mappingHomog
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief adds the backward mapping from spatial position and constituent ID to results
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
subroutine HDF5_backwardMappingHomog(material_homog,homogmemberat,homogenization_name,dataspace_size,mpiOffset,mpiOffset_homog)
|
||||||
|
use hdf5
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
integer(pInt), intent(in), dimension(:,:) :: material_homog, homogmemberat
|
||||||
|
character(len=*), intent(in), dimension(:) :: homogenization_name
|
||||||
|
integer(pInt), intent(in), dimension(:) :: dataspace_size, mpiOffset_homog
|
||||||
|
integer(pInt), intent(in) :: mpiOffset
|
||||||
|
|
||||||
|
integer(pInt) :: hdferr, NmatPoints, i
|
||||||
|
integer(HID_T) :: mapping_id, dtype_id, dset_id, space_id, position_id, plist_id, memspace
|
||||||
|
integer(SIZE_T) :: type_size
|
||||||
|
|
||||||
|
integer(pInt), dimension(:,:), allocatable :: arr
|
||||||
|
|
||||||
|
integer(HSIZE_T), dimension(1) :: counter
|
||||||
|
integer(HSSIZE_T), dimension(1) :: fileOffset
|
||||||
|
|
||||||
|
character(len=64) :: homogID
|
||||||
|
|
||||||
|
NmatPoints = count(material_homog /=0_pInt)
|
||||||
|
allocate(arr(2,NmatPoints))
|
||||||
|
|
||||||
|
arr(1,:) = (/(i, i=0_pint,NmatPoints-1_pInt)/)
|
||||||
|
arr(2,:) = pack(material_homog,material_homog/=0_pInt)
|
||||||
|
|
||||||
|
do i=1_pInt, size(homogenization_name)
|
||||||
|
write(homogID, '(i0)') i
|
||||||
|
mapping_ID = results_openGroup('/current/homogenization/'//trim(homogID)//'_'//homogenization_name(i))
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! create dataspace
|
||||||
|
call h5screate_simple_f(1, int([dataspace_size(i)],HSIZE_T), space_id, hdferr, &
|
||||||
|
int([dataspace_size(i)],HSIZE_T))
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_writeBackwardMapping')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! compound type
|
||||||
|
call h5tget_size_f(H5T_STD_I32LE, type_size, hdferr)
|
||||||
|
call h5tcreate_f(H5T_COMPOUND_F, type_size, dtype_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_writeBackwardMapping: h5tcreate_f dtype_id')
|
||||||
|
|
||||||
|
call h5tinsert_f(dtype_id, "Position", 0_SIZE_T, H5T_STD_I32LE, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5tinsert_f 0')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! create Dataset
|
||||||
|
call h5dcreate_f(mapping_id, 'mapGeometry', dtype_id, space_id, dset_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! Create memory types (one compound datatype for each member)
|
||||||
|
call h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), position_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5tcreate_f position_id')
|
||||||
|
call h5tinsert_f(position_id, "Position", 0_SIZE_T, H5T_STD_I32LE, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5tinsert_f position_id')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! Define and select hyperslabs
|
||||||
|
counter = NmatPoints ! how big i am
|
||||||
|
fileOffset = mpiOffset_homog(i) ! where i start to write my data
|
||||||
|
|
||||||
|
call h5screate_simple_f(1, counter, memspace, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5screate_simple_f')
|
||||||
|
call h5dget_space_f(dset_id, space_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5dget_space_f')
|
||||||
|
call h5sselect_hyperslab_f(space_id, H5S_SELECT_SET_F, fileOffset, counter, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5sselect_hyperslab_f')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! Create property list for collective dataset write
|
||||||
|
#ifdef PETSc
|
||||||
|
call h5pcreate_f(H5P_DATASET_XFER_F, plist_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5pcreate_f')
|
||||||
|
call h5pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5pset_dxpl_mpio_f')
|
||||||
|
#endif
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! write data by fields in the datatype. Fields order is not important.
|
||||||
|
call h5dwrite_f(dset_id, position_id, pack(arr(1,:),arr(2,:)==i)+mpiOffset,int([dataspace_size(i)],HSIZE_T),&
|
||||||
|
hdferr, file_space_id = space_id, mem_space_id = memspace, xfer_prp = plist_id)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5dwrite_f instance_id')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!close types, dataspaces
|
||||||
|
call h5tclose_f(dtype_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5tclose_f dtype_id')
|
||||||
|
call h5tclose_f(position_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5tclose_f position_id')
|
||||||
|
call h5dclose_f(dset_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5dclose_f')
|
||||||
|
call h5sclose_f(space_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5sclose_f space_id')
|
||||||
|
call h5sclose_f(memspace, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5sclose_f memspace')
|
||||||
|
call h5pclose_f(plist_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5pclose_f')
|
||||||
|
call HDF5_closeGroup(mapping_ID)
|
||||||
|
|
||||||
|
enddo
|
||||||
|
|
||||||
|
end subroutine HDF5_backwardMappingHomog
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief adds the unique mapping from spatial position and constituent ID to results
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
subroutine HDF5_mappingCrystallite(crystalliteAt,crystmemberAt,crystallite_name,dataspace_size,mpiOffset,mpiOffset_cryst)
|
||||||
|
use hdf5
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
integer(pInt), intent(in), dimension(:,:) :: crystalliteAt
|
||||||
|
integer(pInt), intent(in), dimension(:,:,:) :: crystmemberAt
|
||||||
|
character(len=*), intent(in), dimension(:) :: crystallite_name
|
||||||
|
integer(pInt), intent(in), dimension(:) :: mpiOffset_cryst
|
||||||
|
integer(pInt), intent(in) :: dataspace_size, mpiOffset
|
||||||
|
|
||||||
|
integer :: hdferr
|
||||||
|
integer(pInt) :: NmatPoints, Nconstituents, i, j
|
||||||
|
integer(HID_T) :: mapping_id, dtype_id, dset_id, space_id, name_id, plist_id, memspace
|
||||||
|
|
||||||
|
integer(HID_T), dimension(:), allocatable :: position_id
|
||||||
|
|
||||||
|
integer(HID_T) :: dt5_id ! Memory datatype identifier
|
||||||
|
integer(SIZE_T) :: typesize, type_sizec, type_sizei, type_size
|
||||||
|
|
||||||
|
integer(HSIZE_T), dimension(1) :: counter
|
||||||
|
integer(HSSIZE_T), dimension(1) :: fileOffset
|
||||||
|
integer(pInt), dimension(:), allocatable :: arrOffset
|
||||||
|
|
||||||
|
character(len=64) :: m
|
||||||
|
|
||||||
|
Nconstituents = size(crystmemberAt,1)
|
||||||
|
NmatPoints = count(crystalliteAt /=0_pInt)
|
||||||
|
mapping_ID = results_openGroup("current/mapGeometry")
|
||||||
|
|
||||||
|
allocate(position_id(Nconstituents))
|
||||||
|
|
||||||
|
allocate(arrOffset(NmatPoints))
|
||||||
|
do i=1_pInt, NmatPoints
|
||||||
|
do j=1_pInt, size(crystallite_name)
|
||||||
|
if(crystalliteAt(1,i) == j) &
|
||||||
|
arrOffset(i) = Nconstituents*mpiOffset_cryst(j)
|
||||||
|
enddo
|
||||||
|
enddo
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! create dataspace
|
||||||
|
call h5screate_simple_f(1, int([dataspace_size],HSIZE_T), space_id, hdferr, &
|
||||||
|
int([dataspace_size],HSIZE_T))
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_writeMapping')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! compound type
|
||||||
|
! First calculate total size by calculating sizes of each member
|
||||||
|
!
|
||||||
|
CALL h5tcopy_f(H5T_NATIVE_CHARACTER, dt5_id, hdferr)
|
||||||
|
typesize = len(crystallite_name(1))
|
||||||
|
CALL h5tset_size_f(dt5_id, typesize, hdferr)
|
||||||
|
CALL h5tget_size_f(dt5_id, type_sizec, hdferr)
|
||||||
|
CALL h5tget_size_f(H5T_STD_I32LE, type_sizei, hdferr)
|
||||||
|
type_size = type_sizec + type_sizei*Nconstituents
|
||||||
|
call h5tcreate_f(H5T_COMPOUND_F, type_size, dtype_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_writeMapping: h5tcreate_f dtype_id')
|
||||||
|
|
||||||
|
call h5tinsert_f(dtype_id, "Name", 0_SIZE_T, dt5_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tinsert_f 0')
|
||||||
|
do i=1_pInt, Nconstituents
|
||||||
|
write(m, '(i0)') i
|
||||||
|
call h5tinsert_f(dtype_id, "Position "//trim(m), type_sizec+(i-1)*type_sizei, H5T_STD_I32LE, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tinsert_f 2 '//trim(m))
|
||||||
|
enddo
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! create Dataset
|
||||||
|
call h5dcreate_f(mapping_id, 'crystallite', dtype_id, space_id, dset_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! Create memory types (one compound datatype for each member)
|
||||||
|
call h5tcreate_f(H5T_COMPOUND_F, int(type_sizec,SIZE_T), name_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tcreate_f instance_id')
|
||||||
|
call h5tinsert_f(name_id, "Name", 0_SIZE_T, dt5_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tinsert_f instance_id')
|
||||||
|
|
||||||
|
do i=1_pInt, Nconstituents
|
||||||
|
write(m, '(i0)') i
|
||||||
|
call h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), position_id(i), hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tcreate_f position_id')
|
||||||
|
call h5tinsert_f(position_id(i), "Position "//trim(m), 0_SIZE_T, H5T_STD_I32LE, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tinsert_f position_id')
|
||||||
|
enddo
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! Define and select hyperslabs
|
||||||
|
counter = NmatPoints ! how big i am
|
||||||
|
fileOffset = mpiOffset ! where i start to write my data
|
||||||
|
|
||||||
|
call h5screate_simple_f(1, counter, memspace, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5screate_simple_f')
|
||||||
|
call h5dget_space_f(dset_id, space_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5dget_space_f')
|
||||||
|
call h5sselect_hyperslab_f(space_id, H5S_SELECT_SET_F, fileOffset, counter, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5sselect_hyperslab_f')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! Create property list for collective dataset write
|
||||||
|
#ifdef PETSc
|
||||||
|
call h5pcreate_f(H5P_DATASET_XFER_F, plist_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5pcreate_f')
|
||||||
|
call h5pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5pset_dxpl_mpio_f')
|
||||||
|
#endif
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! write data by fields in the datatype. Fields order is not important.
|
||||||
|
call h5dwrite_f(dset_id, name_id, crystallite_name(pack(crystalliteAt,crystalliteAt/=0_pInt)), &
|
||||||
|
int([dataspace_size],HSIZE_T), hdferr, file_space_id = space_id, &
|
||||||
|
mem_space_id = memspace, xfer_prp = plist_id)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5dwrite_f position_id')
|
||||||
|
|
||||||
|
do i=1_pInt, Nconstituents
|
||||||
|
call h5dwrite_f(dset_id, position_id(i), pack(crystmemberAt(i,:,:)-1_pInt,crystmemberAt(i,:,:)/=0_pInt)+arrOffset,&
|
||||||
|
int([dataspace_size],HSIZE_T), hdferr, file_space_id = space_id, &
|
||||||
|
mem_space_id = memspace, xfer_prp = plist_id)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5dwrite_f instance_id')
|
||||||
|
enddo
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!close types, dataspaces
|
||||||
|
call h5tclose_f(dtype_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tclose_f dtype_id')
|
||||||
|
do i=1_pInt, Nconstituents
|
||||||
|
call h5tclose_f(position_id(i), hdferr)
|
||||||
|
enddo
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tclose_f position_id')
|
||||||
|
call h5tclose_f(name_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tclose_f name_id')
|
||||||
|
call h5tclose_f(dt5_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tclose_f dt5_id')
|
||||||
|
call h5dclose_f(dset_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5dclose_f')
|
||||||
|
call h5sclose_f(space_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5sclose_f space_id')
|
||||||
|
call h5sclose_f(memspace, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5sclose_f memspace')
|
||||||
|
call h5pclose_f(plist_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5pclose_f')
|
||||||
|
call HDF5_closeGroup(mapping_ID)
|
||||||
|
|
||||||
|
end subroutine HDF5_mappingCrystallite
|
||||||
|
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief adds the backward mapping from spatial position and constituent ID to results
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
subroutine HDF5_backwardMappingCrystallite(crystalliteAt,crystmemberAt,crystallite_name,dataspace_size,mpiOffset,mpiOffset_cryst)
|
||||||
|
use hdf5
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
integer(pInt), intent(in), dimension(:,:) :: crystalliteAt
|
||||||
|
integer(pInt), intent(in), dimension(:,:,:) :: crystmemberAt
|
||||||
|
character(len=*), intent(in), dimension(:) :: crystallite_name
|
||||||
|
integer(pInt), intent(in), dimension(:) :: dataspace_size, mpiOffset_cryst
|
||||||
|
integer(pInt), intent(in) :: mpiOffset
|
||||||
|
|
||||||
|
integer :: hdferr
|
||||||
|
integer(pInt) :: NmatPoints, Nconstituents, i, j
|
||||||
|
integer(HID_T) :: mapping_id, dtype_id, dset_id, space_id, position_id, plist_id, memspace
|
||||||
|
integer(SIZE_T) :: type_size
|
||||||
|
|
||||||
|
integer(pInt), dimension(:,:), allocatable :: h_arr, arr
|
||||||
|
|
||||||
|
integer(HSIZE_T), dimension(1) :: counter
|
||||||
|
integer(HSSIZE_T), dimension(1) :: fileOffset
|
||||||
|
|
||||||
|
character(len=64) :: crystallID
|
||||||
|
|
||||||
|
Nconstituents = size(crystmemberAt,1)
|
||||||
|
NmatPoints = count(crystalliteAt /=0_pInt)
|
||||||
|
|
||||||
|
allocate(h_arr(2,NmatPoints))
|
||||||
|
allocate(arr(2,Nconstituents*NmatPoints))
|
||||||
|
|
||||||
|
h_arr(1,:) = (/(i, i=0_pInt,NmatPoints-1_pInt)/)
|
||||||
|
h_arr(2,:) = pack(crystalliteAt,crystalliteAt/=0_pInt)
|
||||||
|
|
||||||
|
do i=1_pInt, NmatPoints
|
||||||
|
do j=Nconstituents-1_pInt, 0_pInt, -1_pInt
|
||||||
|
arr(1,Nconstituents*i-j) = h_arr(1,i)
|
||||||
|
arr(2,Nconstituents*i-j) = h_arr(2,i)
|
||||||
|
enddo
|
||||||
|
enddo
|
||||||
|
|
||||||
|
do i=1_pInt, size(crystallite_name)
|
||||||
|
if (crystallite_name(i) == 'none') cycle
|
||||||
|
write(crystallID, '(i0)') i
|
||||||
|
mapping_ID = results_openGroup('/current/crystallite/'//trim(crystallID)//'_'//crystallite_name(i))
|
||||||
|
NmatPoints = count(crystalliteAt == i)
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! create dataspace
|
||||||
|
call h5screate_simple_f(1, int([Nconstituents*dataspace_size(i)],HSIZE_T), space_id, hdferr, &
|
||||||
|
int([Nconstituents*dataspace_size(i)],HSIZE_T))
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_writeBackwardMapping')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! compound type
|
||||||
|
call h5tget_size_f(H5T_STD_I32LE, type_size, hdferr)
|
||||||
|
call h5tcreate_f(H5T_COMPOUND_F, type_size, dtype_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_writeBackwardMapping: h5tcreate_f dtype_id')
|
||||||
|
|
||||||
|
call h5tinsert_f(dtype_id, "Position", 0_SIZE_T, H5T_STD_I32LE, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5tinsert_f 0')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! create Dataset
|
||||||
|
call h5dcreate_f(mapping_id, 'mapGeometry', dtype_id, space_id, dset_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! Create memory types
|
||||||
|
call h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), position_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5tcreate_f position_id')
|
||||||
|
call h5tinsert_f(position_id, "Position", 0_SIZE_T, H5T_STD_I32LE, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5tinsert_f position_id')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! Define and select hyperslabs
|
||||||
|
counter = Nconstituents*NmatPoints ! how big i am
|
||||||
|
fileOffset = Nconstituents*mpiOffset_cryst(i) ! where i start to write my data
|
||||||
|
|
||||||
|
call h5screate_simple_f(1, counter, memspace, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5screate_simple_f')
|
||||||
|
call h5dget_space_f(dset_id, space_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5dget_space_f')
|
||||||
|
call h5sselect_hyperslab_f(space_id, H5S_SELECT_SET_F, fileOffset, counter, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5sselect_hyperslab_f')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! Create property list for collective dataset write
|
||||||
|
#ifdef PETSc
|
||||||
|
call h5pcreate_f(H5P_DATASET_XFER_F, plist_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5pcreate_f')
|
||||||
|
call h5pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5pset_dxpl_mpio_f')
|
||||||
|
#endif
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! write data by fields in the datatype. Fields order is not important.
|
||||||
|
call h5dwrite_f(dset_id, position_id, pack(arr(1,:),arr(2,:)==i) + mpiOffset,&
|
||||||
|
int([Nconstituents*dataspace_size(i)],HSIZE_T), hdferr, file_space_id = space_id, &
|
||||||
|
mem_space_id = memspace, xfer_prp = plist_id)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5dwrite_f instance_id')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!close types, dataspaces
|
||||||
|
call h5tclose_f(dtype_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5tclose_f dtype_id')
|
||||||
|
call h5tclose_f(position_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5tclose_f position_id')
|
||||||
|
call h5dclose_f(dset_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5dclose_f')
|
||||||
|
call h5sclose_f(space_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5sclose_f space_id')
|
||||||
|
call h5sclose_f(memspace, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5sclose_f memspace')
|
||||||
|
call h5pclose_f(plist_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5pclose_f')
|
||||||
|
call HDF5_closeGroup(mapping_ID)
|
||||||
|
|
||||||
|
enddo
|
||||||
|
|
||||||
|
end subroutine HDF5_backwardMappingCrystallite
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief adds the unique cell to node mapping
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
subroutine HDF5_mappingCells(mapping)
|
||||||
|
use hdf5
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
integer(pInt), intent(in), dimension(:) :: mapping
|
||||||
|
|
||||||
|
integer :: hdferr, Nnodes
|
||||||
|
integer(HID_T) :: mapping_id, dset_id, space_id
|
||||||
|
|
||||||
|
Nnodes=size(mapping)
|
||||||
|
mapping_ID = results_openGroup("mapping")
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! create dataspace
|
||||||
|
call h5screate_simple_f(1, int([Nnodes],HSIZE_T), space_id, hdferr, &
|
||||||
|
int([Nnodes],HSIZE_T))
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCells: h5screate_simple_f')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! create Dataset
|
||||||
|
call h5dcreate_f(mapping_id, "Cell",H5T_NATIVE_INTEGER, space_id, dset_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCells')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! write data by fields in the datatype. Fields order is not important.
|
||||||
|
call h5dwrite_f(dset_id, H5T_NATIVE_INTEGER, mapping, int([Nnodes],HSIZE_T), hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCells: h5dwrite_f instance_id')
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!close types, dataspaces
|
||||||
|
call h5dclose_f(dset_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingConstitutive: h5dclose_f')
|
||||||
|
call h5sclose_f(space_id, hdferr)
|
||||||
|
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingConstitutive: h5sclose_f')
|
||||||
|
call HDF5_closeGroup(mapping_ID)
|
||||||
|
|
||||||
|
end subroutine HDF5_mappingCells
|
||||||
|
|
||||||
|
|
||||||
|
end module results
|
||||||
|
|
@ -80,6 +80,7 @@ subroutine basic_init
|
||||||
#endif
|
#endif
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
IO_intOut, &
|
IO_intOut, &
|
||||||
|
IO_error, &
|
||||||
IO_read_realFile, &
|
IO_read_realFile, &
|
||||||
IO_timeStamp
|
IO_timeStamp
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
|
|
@ -173,7 +174,11 @@ subroutine basic_init
|
||||||
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(F_aimDot))
|
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(F_aimDot))
|
||||||
read (777,rec=1) F_aimDot; close (777)
|
read (777,rec=1) F_aimDot; close (777)
|
||||||
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
|
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
|
||||||
|
call MPI_Allreduce(MPI_IN_PLACE,F_aim,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||||
|
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='F_aim')
|
||||||
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
|
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
|
||||||
|
call MPI_Allreduce(MPI_IN_PLACE,F_aim_lastInc,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||||
|
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='F_aim_lastInc')
|
||||||
elseif (restartInc == 0_pInt) then restart
|
elseif (restartInc == 0_pInt) then restart
|
||||||
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
||||||
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
||||||
|
|
|
||||||
|
|
@ -78,7 +78,6 @@ contains
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief allocates all necessary fields and fills them with data, potentially from restart info
|
!> @brief allocates all necessary fields and fills them with data, potentially from restart info
|
||||||
!> @todo use sourced allocation, e.g. allocate(Fdot,source = F_lastInc)
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine Polarisation_init
|
subroutine Polarisation_init
|
||||||
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
|
|
@ -88,6 +87,7 @@ subroutine Polarisation_init
|
||||||
#endif
|
#endif
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
IO_intOut, &
|
IO_intOut, &
|
||||||
|
IO_error, &
|
||||||
IO_read_realFile, &
|
IO_read_realFile, &
|
||||||
IO_timeStamp
|
IO_timeStamp
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
|
|
@ -191,7 +191,11 @@ subroutine Polarisation_init
|
||||||
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(F_aimDot))
|
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(F_aimDot))
|
||||||
read (777,rec=1) F_aimDot; close (777)
|
read (777,rec=1) F_aimDot; close (777)
|
||||||
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
|
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
|
||||||
|
call MPI_Allreduce(MPI_IN_PLACE,F_aim,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||||
|
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='F_aim')
|
||||||
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
|
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
|
||||||
|
call MPI_Allreduce(MPI_IN_PLACE,F_aim_lastInc,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||||
|
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='F_aim_lastInc')
|
||||||
elseif (restartInc == 0_pInt) then restart
|
elseif (restartInc == 0_pInt) then restart
|
||||||
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
||||||
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
||||||
|
|
|
||||||
Loading…
Reference in New Issue