Merge branch 'development' into 44-column-major-access-to-interaction-matrices
This commit is contained in:
Martin Diehl
commit
f0a1cc4351
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|
@ -1,6 +1,7 @@
|
|||
*.pyc
|
||||
*.mod
|
||||
*.o
|
||||
*.hdf5
|
||||
*.exe
|
||||
*.bak
|
||||
*~
|
||||
|
|
|
|||
|
|
@ -343,6 +343,15 @@ Spectral_MPI:
|
|||
- master
|
||||
- release
|
||||
|
||||
SpectralAll_restartMPI:
|
||||
stage: spectral
|
||||
script:
|
||||
- module load $IntelCompiler $MPICH_Intel $PETSc_MPICH_Intel
|
||||
- SpectralAll_restartMPI/test.py
|
||||
except:
|
||||
- master
|
||||
- release
|
||||
|
||||
Plasticity_DetectChanges:
|
||||
stage: spectral
|
||||
script: Plasticity_DetectChanges/test.py
|
||||
|
|
|
|||
|
|
@ -12,9 +12,17 @@
|
|||
#
|
||||
import os, re, glob, driverUtils
|
||||
from damask import version as DAMASKVERSION
|
||||
from damask import Environment
|
||||
myEnv = Environment()
|
||||
|
||||
# Use the version in $PATH
|
||||
fortCmd = "ifort"
|
||||
if myEnv.options['DAMASK_HDF5'] == 'ON':
|
||||
# use hdf5 compiler wrapper in $PATH
|
||||
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:]
|
||||
fortCmd +=" -DDAMASKHDF5"
|
||||
else:
|
||||
# Use the version in $PATH
|
||||
fortCmd = "ifort"
|
||||
|
||||
# -free to use free-format FORTRAN 90 syntax
|
||||
# -O <0-3> optimization level
|
||||
|
|
@ -50,4 +58,6 @@ ask_delete=OFF
|
|||
|
||||
# Remove the temporary names from the namespace
|
||||
del fortCmd
|
||||
del Environment
|
||||
del myEnv
|
||||
del DAMASKVERSION
|
||||
|
|
|
|||
|
|
@ -12,9 +12,17 @@
|
|||
#
|
||||
import os, re, glob, driverUtils
|
||||
from damask import version as DAMASKVERSION
|
||||
from damask import Environment
|
||||
myEnv = Environment()
|
||||
|
||||
# Use the version in $PATH
|
||||
fortCmd = "ifort"
|
||||
if myEnv.options['DAMASK_HDF5'] == 'ON':
|
||||
# use hdf5 compiler wrapper in $PATH
|
||||
fortCmd = os.popen('h5fc -shlib -show').read().replace('\n','') # complicated way needed to pass in DAMASKVERSION string
|
||||
link_sl += fortCmd.split()[1:]
|
||||
fortCmd +=" -DDAMASKHDF5"
|
||||
else:
|
||||
# Use the version in $PATH
|
||||
fortCmd = "ifort"
|
||||
|
||||
# -free to use free-format FORTRAN 90 syntax
|
||||
# -O <0-3> optimization level
|
||||
|
|
@ -55,4 +63,6 @@ ask_delete=OFF
|
|||
|
||||
# Remove the temporary names from the namespace
|
||||
del fortCmd
|
||||
del Environment
|
||||
del myEnv
|
||||
del DAMASKVERSION
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||||
|
|
|
|||
|
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@ -63,7 +63,6 @@ else
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|||
INTEGER_PATH=/$MARC_INTEGER_SIZE
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||||
fi
|
||||
|
||||
FCOMP=ifort
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||||
INTELPATH="/opt/intel/compilers_and_libraries_2017/linux"
|
||||
|
||||
# find the root directory of the compiler installation:
|
||||
|
|
@ -99,6 +98,16 @@ else
|
|||
FCOMPROOT=
|
||||
fi
|
||||
|
||||
# DAMASK uses the HDF5 compiler wrapper around the Intel compiler
|
||||
if test "$DAMASK_HDF5" = "ON";then
|
||||
H5FC="$(h5fc -shlib -show)"
|
||||
HDF5_LIB=${H5FC//ifort/}
|
||||
FCOMP="$H5FC -DDAMASKHDF5"
|
||||
echo $FCOMP
|
||||
else
|
||||
FCOMP=ifort
|
||||
fi
|
||||
|
||||
# AEM
|
||||
if test "$MARCDLLOUTDIR" = ""; then
|
||||
DLLOUTDIR="$MARC_LIB"
|
||||
|
|
@ -535,23 +544,17 @@ else
|
|||
DAMASKVERSION="'N/A'"
|
||||
fi
|
||||
|
||||
if test "$DAMASK_HDF5" = "ON";then
|
||||
DFCOMP="$(h5fc -show) -DDAMASKHDF5"
|
||||
else
|
||||
DFCOMP=$FCOMP
|
||||
fi
|
||||
|
||||
#
|
||||
# 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 -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$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 \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$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 -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$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 \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$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 -O2 $I8FFLAGS -I$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 -O2 $I8FFLAGS -I$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 \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
|
|
@ -570,15 +573,15 @@ then
|
|||
fi
|
||||
|
||||
# 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 \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$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 \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$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 \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$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} \
|
||||
$MKLLIB -L$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}
|
||||
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)
|
||||
list(APPEND OBJECTFILES $<TARGET_OBJECTS:IO>)
|
||||
|
||||
add_library(HDF5_UTILITIES OBJECT "HDF5_utilities.f90")
|
||||
add_dependencies(HDF5_UTILITIES IO)
|
||||
list(APPEND OBJECTFILES $<TARGET_OBJECTS:HDF5_UTILITIES>)
|
||||
|
||||
add_library(NUMERICS OBJECT "numerics.f90")
|
||||
add_dependencies(NUMERICS HDF5_UTILITIES)
|
||||
add_dependencies(NUMERICS IO)
|
||||
list(APPEND OBJECTFILES $<TARGET_OBJECTS:NUMERICS>)
|
||||
|
||||
add_library(DEBUG OBJECT "debug.f90")
|
||||
add_dependencies(DEBUG NUMERICS)
|
||||
list(APPEND OBJECTFILES $<TARGET_OBJECTS:DEBUG>)
|
||||
|
||||
add_library(CONFIG OBJECT "config.f90")
|
||||
add_dependencies(CONFIG DEBUG)
|
||||
list(APPEND OBJECTFILES $<TARGET_OBJECTS:CONFIG>)
|
||||
add_library(DAMASK_CONFIG OBJECT "config.f90")
|
||||
add_dependencies(DAMASK_CONFIG DEBUG)
|
||||
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_dependencies(FEsolving DEBUG)
|
||||
add_dependencies(FEsolving RESULTS)
|
||||
list(APPEND OBJECTFILES $<TARGET_OBJECTS:FEsolving>)
|
||||
|
||||
add_library(DAMASK_MATH OBJECT "math.f90")
|
||||
|
|
@ -68,7 +72,7 @@ elseif (PROJECT_NAME STREQUAL "DAMASK_FEM")
|
|||
endif()
|
||||
|
||||
add_library(MATERIAL OBJECT "material.f90")
|
||||
add_dependencies(MATERIAL MESH CONFIG)
|
||||
add_dependencies(MATERIAL MESH DAMASK_CONFIG)
|
||||
list(APPEND OBJECTFILES $<TARGET_OBJECTS:MATERIAL>)
|
||||
|
||||
add_library(DAMASK_HELPERS OBJECT "lattice.f90")
|
||||
|
|
|
|||
133
src/CPFEM2.f90
133
src/CPFEM2.f90
|
|
@ -10,8 +10,8 @@ module CPFEM2
|
|||
|
||||
public :: &
|
||||
CPFEM_age, &
|
||||
CPFEM_initAll
|
||||
|
||||
CPFEM_initAll, &
|
||||
CPFEM_results
|
||||
contains
|
||||
|
||||
|
||||
|
|
@ -20,8 +20,7 @@ contains
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine CPFEM_initAll()
|
||||
use prec, only: &
|
||||
pInt
|
||||
use prec, only: &
|
||||
pInt, &
|
||||
prec_init
|
||||
use numerics, only: &
|
||||
numerics_init
|
||||
|
|
@ -39,6 +38,8 @@ subroutine CPFEM_initAll()
|
|||
material_init
|
||||
use HDF5_utilities, only: &
|
||||
HDF5_utilities_init
|
||||
use results, only: &
|
||||
results_init
|
||||
use lattice, only: &
|
||||
lattice_init
|
||||
use constitutive, only: &
|
||||
|
|
@ -73,6 +74,7 @@ subroutine CPFEM_initAll()
|
|||
call lattice_init
|
||||
call material_init
|
||||
call HDF5_utilities_init
|
||||
call results_init
|
||||
call constitutive_init
|
||||
call crystallite_init
|
||||
call homogenization_init
|
||||
|
|
@ -105,8 +107,7 @@ subroutine CPFEM_init
|
|||
debug_levelBasic, &
|
||||
debug_levelExtensive
|
||||
use FEsolving, only: &
|
||||
restartRead, &
|
||||
modelName
|
||||
restartRead
|
||||
use material, only: &
|
||||
material_phase, &
|
||||
homogState, &
|
||||
|
|
@ -125,23 +126,22 @@ subroutine CPFEM_init
|
|||
use hdf5
|
||||
use HDF5_utilities, only: &
|
||||
HDF5_openFile, &
|
||||
HDF5_openGroup2, &
|
||||
HDF5_closeFile, &
|
||||
HDF5_openGroup, &
|
||||
HDF5_closeGroup, &
|
||||
HDF5_read
|
||||
use DAMASK_interface, only: &
|
||||
getSolverJobName
|
||||
|
||||
implicit none
|
||||
integer(pInt) :: k,l,m,ph,homog
|
||||
integer(pInt) :: ph,homog
|
||||
character(len=1024) :: rankStr, PlasticItem, HomogItem
|
||||
integer(HID_T) :: fileReadID, groupPlasticID, groupHomogID
|
||||
integer :: hdferr
|
||||
integer(HID_T) :: fileHandle, groupPlasticID, groupHomogID
|
||||
|
||||
mainProcess: if (worldrank == 0) then
|
||||
write(6,'(/,a)') ' <<<+- CPFEM init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
flush(6)
|
||||
endif mainProcess
|
||||
|
||||
! *** restore the last converged values of each essential variable from the binary file
|
||||
if (restartRead) then
|
||||
|
|
@ -152,34 +152,39 @@ subroutine CPFEM_init
|
|||
|
||||
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(crystallite_F0, fileReadID,'convergedF')
|
||||
call HDF5_read(crystallite_Fp0, fileReadID,'convergedFp')
|
||||
call HDF5_read(crystallite_Fi0, fileReadID,'convergedFi')
|
||||
call HDF5_read(crystallite_Lp0, fileReadID,'convergedLp')
|
||||
call HDF5_read(crystallite_Li0, fileReadID,'convergedLi')
|
||||
call HDF5_read(crystallite_dPdF0, fileReadID,'convergeddPdF')
|
||||
call HDF5_read(crystallite_Tstar0_v,fileReadID,'convergedTstar')
|
||||
call HDF5_read(fileHandle,material_phase, 'recordedPhase')
|
||||
call HDF5_read(fileHandle,crystallite_F0, 'convergedF')
|
||||
call HDF5_read(fileHandle,crystallite_Fp0, 'convergedFp')
|
||||
call HDF5_read(fileHandle,crystallite_Fi0, 'convergedFi')
|
||||
call HDF5_read(fileHandle,crystallite_Lp0, 'convergedLp')
|
||||
call HDF5_read(fileHandle,crystallite_Li0, 'convergedLi')
|
||||
call HDF5_read(fileHandle,crystallite_dPdF0, 'convergeddPdF')
|
||||
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)
|
||||
write(PlasticItem,*) ph,'_'
|
||||
call HDF5_read(plasticState(ph)%state0,groupPlasticID,trim(PlasticItem)//'convergedStateConst')
|
||||
call HDF5_read(groupPlasticID,plasticState(ph)%state0,trim(PlasticItem)//'convergedStateConst')
|
||||
enddo
|
||||
call HDF5_closeGroup(groupPlasticID)
|
||||
|
||||
groupHomogID = HDF5_openGroup2(fileReadID,'HomogStates')
|
||||
groupHomogID = HDF5_openGroup(fileHandle,'HomogStates')
|
||||
do homog = 1_pInt, material_Nhomogenization
|
||||
write(HomogItem,*) homog,'_'
|
||||
call HDF5_read(homogState(homog)%state0, groupHomogID,trim(HomogItem)//'convergedStateHomog')
|
||||
call HDF5_read(groupHomogID,homogState(homog)%state0, trim(HomogItem)//'convergedStateHomog')
|
||||
enddo
|
||||
call HDF5_closeGroup(groupHomogID)
|
||||
|
||||
call HDF5_closeFile(fileHandle)
|
||||
|
||||
restartRead = .false.
|
||||
endif
|
||||
|
||||
end subroutine CPFEM_init
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief forwards data after successful increment
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -229,31 +234,28 @@ subroutine CPFEM_age()
|
|||
use HDF5_utilities, only: &
|
||||
HDF5_openFile, &
|
||||
HDF5_closeFile, &
|
||||
HDF5_addGroup, &
|
||||
HDF5_closeGroup, &
|
||||
HDF5_addGroup2, &
|
||||
HDF5_write
|
||||
use hdf5
|
||||
use DAMASK_interface, only: &
|
||||
getSolverJobName
|
||||
|
||||
implicit none
|
||||
|
||||
integer(pInt) :: i, k, l, m, ph, homog, mySource
|
||||
integer(pInt) :: i, ph, homog, mySource
|
||||
character(len=32) :: rankStr, PlasticItem, HomogItem
|
||||
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'
|
||||
|
||||
crystallite_F0 = crystallite_partionedF ! crystallite deformation (_subF is perturbed...)
|
||||
crystallite_Fp0 = crystallite_Fp ! crystallite plastic deformation
|
||||
crystallite_Lp0 = crystallite_Lp ! crystallite plastic velocity
|
||||
crystallite_Fi0 = crystallite_Fi ! crystallite intermediate deformation
|
||||
crystallite_Li0 = crystallite_Li ! crystallite intermediate velocity
|
||||
crystallite_dPdF0 = crystallite_dPdF ! crystallite stiffness
|
||||
crystallite_Tstar0_v = crystallite_Tstar_v ! crystallite 2nd Piola Kirchhoff stress
|
||||
crystallite_F0 = crystallite_partionedF
|
||||
crystallite_Fp0 = crystallite_Fp
|
||||
crystallite_Lp0 = crystallite_Lp
|
||||
crystallite_Fi0 = crystallite_Fi
|
||||
crystallite_Li0 = crystallite_Li
|
||||
crystallite_dPdF0 = crystallite_dPdF
|
||||
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
|
||||
|
||||
|
|
@ -268,43 +270,66 @@ if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
|
|||
damageState (homog)%state0 = damageState (homog)%state
|
||||
enddo
|
||||
|
||||
if (restartWrite) then
|
||||
if (restartWrite) then
|
||||
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(rankStr,'(a1,i0)')'_',worldrank
|
||||
|
||||
write(rankStr,'(a1,i0)')'_',worldrank
|
||||
fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5','w')
|
||||
|
||||
call HDF5_write(material_phase, fileHandle,'recordedPhase')
|
||||
call HDF5_write(crystallite_F0, fileHandle,'convergedF')
|
||||
call HDF5_write(crystallite_Fp0, fileHandle,'convergedFp')
|
||||
call HDF5_write(crystallite_Fi0, fileHandle,'convergedFi')
|
||||
call HDF5_write(crystallite_Lp0, fileHandle,'convergedLp')
|
||||
call HDF5_write(crystallite_Li0, fileHandle,'convergedLi')
|
||||
call HDF5_write(crystallite_dPdF0, fileHandle,'convergeddPdF')
|
||||
call HDF5_write(crystallite_Tstar0_v,fileHandle,'convergedTstar')
|
||||
call HDF5_write(fileHandle,material_phase, 'recordedPhase')
|
||||
call HDF5_write(fileHandle,crystallite_F0, 'convergedF')
|
||||
call HDF5_write(fileHandle,crystallite_Fp0, 'convergedFp')
|
||||
call HDF5_write(fileHandle,crystallite_Fi0, 'convergedFi')
|
||||
call HDF5_write(fileHandle,crystallite_Lp0, 'convergedLp')
|
||||
call HDF5_write(fileHandle,crystallite_Li0, 'convergedLi')
|
||||
call HDF5_write(fileHandle,crystallite_dPdF0, 'convergeddPdF')
|
||||
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)
|
||||
write(PlasticItem,*) ph,'_'
|
||||
call HDF5_write(plasticState(ph)%state0,groupPlastic,trim(PlasticItem)//'convergedStateConst')
|
||||
call HDF5_write(groupPlastic,plasticState(ph)%state0,trim(PlasticItem)//'convergedStateConst')
|
||||
enddo
|
||||
call HDF5_closeGroup(groupPlastic)
|
||||
|
||||
groupHomog = HDF5_addGroup2(fileHandle,'HomogStates')
|
||||
groupHomog = HDF5_addGroup(fileHandle,'HomogStates')
|
||||
do homog = 1_pInt, material_Nhomogenization
|
||||
write(HomogItem,*) homog,'_'
|
||||
call HDF5_write(homogState(homog)%state0,groupHomog,trim(HomogItem)//'convergedStateHomog')
|
||||
call HDF5_write(groupHomog,homogState(homog)%state0,trim(HomogItem)//'convergedStateHomog')
|
||||
enddo
|
||||
call HDF5_closeGroup(groupHomog)
|
||||
|
||||
call HDF5_closeFile(fileHandle)
|
||||
restartWrite = .false.
|
||||
endif
|
||||
endif
|
||||
|
||||
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
|
||||
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
|
||||
write(6,'(a)') '<< CPFEM >> done aging states'
|
||||
|
||||
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
|
||||
|
|
|
|||
|
|
@ -46,7 +46,8 @@ program DAMASK_spectral
|
|||
grid, &
|
||||
geomSize
|
||||
use CPFEM2, only: &
|
||||
CPFEM_initAll
|
||||
CPFEM_initAll, &
|
||||
CPFEM_results
|
||||
use FEsolving, only: &
|
||||
restartWrite, &
|
||||
restartInc
|
||||
|
|
@ -80,6 +81,7 @@ program DAMASK_spectral
|
|||
use spectral_mech_Polarisation
|
||||
use spectral_damage
|
||||
use spectral_thermal
|
||||
use results
|
||||
|
||||
implicit none
|
||||
|
||||
|
|
@ -157,6 +159,9 @@ program DAMASK_spectral
|
|||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
|
||||
|
||||
call results_openJobFile()
|
||||
call results_closeJobFile()
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! initialize field solver information
|
||||
nActiveFields = 1
|
||||
|
|
@ -420,6 +425,7 @@ program DAMASK_spectral
|
|||
|
||||
writeUndeformed: if (interface_restartInc < 1_pInt) then
|
||||
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
|
||||
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)
|
||||
|
|
@ -596,6 +602,7 @@ program DAMASK_spectral
|
|||
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_write')
|
||||
enddo
|
||||
fileOffset = fileOffset + sum(outputSize) ! forward to current file position
|
||||
call CPFEM_results(totalIncsCounter,time)
|
||||
endif
|
||||
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
|
||||
|
|
|
|||
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
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
#include "IO.f90"
|
||||
#ifdef DAMASKHDF5
|
||||
#include "HDF5_utilities.f90"
|
||||
#endif
|
||||
#include "numerics.f90"
|
||||
#include "debug.f90"
|
||||
#include "config.f90"
|
||||
#ifdef DAMASKHDF5
|
||||
#include "HDF5_utilities.f90"
|
||||
#endif
|
||||
#include "math.f90"
|
||||
#include "FEsolving.f90"
|
||||
#include "mesh.f90"
|
||||
|
|
|
|||
|
|
@ -1,4 +1,4 @@
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!-------------------------------------------------------------------------------------------------
|
||||
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
|
||||
!> @brief Reads in the material configuration from file
|
||||
!> @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
|
||||
|
||||
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
|
||||
call part(i)%add(trim(adjustl(fileContent(j))))
|
||||
enddo
|
||||
|
|
|
|||
|
|
@ -25,7 +25,8 @@ module constitutive
|
|||
constitutive_SandItsTangents, &
|
||||
constitutive_collectDotState, &
|
||||
constitutive_collectDeltaState, &
|
||||
constitutive_postResults
|
||||
constitutive_postResults, &
|
||||
constitutive_results
|
||||
|
||||
private :: &
|
||||
constitutive_hooke_SandItsTangents
|
||||
|
|
@ -149,7 +150,7 @@ subroutine constitutive_init()
|
|||
if (any(phase_plasticity == PLASTICITY_NONE_ID)) call plastic_none_init
|
||||
if (any(phase_plasticity == PLASTICITY_ISOTROPIC_ID)) call plastic_isotropic_init
|
||||
if (any(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID)) call plastic_phenopowerlaw_init
|
||||
if (any(phase_plasticity == PLASTICITY_KINEHARDENING_ID)) call plastic_kinehardening_init(FILEUNIT)
|
||||
if (any(phase_plasticity == PLASTICITY_KINEHARDENING_ID)) call plastic_kinehardening_init
|
||||
if (any(phase_plasticity == PLASTICITY_DISLOTWIN_ID)) call plastic_dislotwin_init
|
||||
if (any(phase_plasticity == PLASTICITY_DISLOUCLA_ID)) call plastic_disloucla_init
|
||||
if (any(phase_plasticity == PLASTICITY_NONLOCAL_ID)) then
|
||||
|
|
@ -489,8 +490,9 @@ subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, S6, Fi, ipc, ip, e
|
|||
call plastic_phenopowerlaw_LpAndItsTangent (Lp,dLp_dMp,Mp,instance,of)
|
||||
|
||||
case (PLASTICITY_KINEHARDENING_ID) plasticityType
|
||||
call plastic_kinehardening_LpAndItsTangent (Lp,dLp_dMp99, math_Mandel33to6(Mp),ipc,ip,el)
|
||||
dLp_dMp = math_Plain99to3333(dLp_dMp99) ! ToDo: We revert here the last statement in plastic_xx_LpAndItsTanget
|
||||
of = phasememberAt(ipc,ip,el)
|
||||
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
|
||||
call plastic_kinehardening_LpAndItsTangent (Lp,dLp_dMp, Mp,instance,of)
|
||||
|
||||
case (PLASTICITY_NONLOCAL_ID) plasticityType
|
||||
call plastic_nonlocal_LpAndItsTangent (Lp,dLp_dMp99, math_Mandel33to6(Mp), &
|
||||
|
|
@ -873,7 +875,9 @@ subroutine constitutive_collectDotState(S6, FeArray, Fi, FpArray, subdt, subfrac
|
|||
call plastic_phenopowerlaw_dotState(Mp,instance,of)
|
||||
|
||||
case (PLASTICITY_KINEHARDENING_ID) plasticityType
|
||||
call plastic_kinehardening_dotState(math_Mandel33to6(Mp),ipc,ip,el)
|
||||
of = phasememberAt(ipc,ip,el)
|
||||
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
|
||||
call plastic_kinehardening_dotState(Mp,instance,of)
|
||||
|
||||
case (PLASTICITY_DISLOTWIN_ID) plasticityType
|
||||
of = phasememberAt(ipc,ip,el)
|
||||
|
|
@ -929,6 +933,8 @@ subroutine constitutive_collectDeltaState(S6, Fe, Fi, ipc, ip, el)
|
|||
math_Mandel33to6, &
|
||||
math_mul33x33
|
||||
use material, only: &
|
||||
phasememberAt, &
|
||||
phase_plasticityInstance, &
|
||||
phase_plasticity, &
|
||||
phase_source, &
|
||||
phase_Nsources, &
|
||||
|
|
@ -954,19 +960,22 @@ subroutine constitutive_collectDeltaState(S6, Fe, Fi, ipc, ip, el)
|
|||
Fe, & !< elastic deformation gradient
|
||||
Fi !< intermediate deformation gradient
|
||||
real(pReal), dimension(3,3) :: &
|
||||
Mstar
|
||||
Mp
|
||||
integer(pInt) :: &
|
||||
s !< counter in source loop
|
||||
s, & !< counter in source loop
|
||||
instance, of
|
||||
|
||||
Mstar = math_mul33x33(math_mul33x33(transpose(Fi),Fi),math_Mandel6to33(S6))
|
||||
Mp = math_mul33x33(math_mul33x33(transpose(Fi),Fi),math_Mandel6to33(S6))
|
||||
|
||||
plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el)))
|
||||
|
||||
case (PLASTICITY_KINEHARDENING_ID) plasticityType
|
||||
call plastic_kinehardening_deltaState(math_Mandel33to6(Mstar),ipc,ip,el)
|
||||
of = phasememberAt(ipc,ip,el)
|
||||
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
|
||||
call plastic_kinehardening_deltaState(Mp,instance,of)
|
||||
|
||||
case (PLASTICITY_NONLOCAL_ID) plasticityType
|
||||
call plastic_nonlocal_deltaState(math_Mandel33to6(Mstar),ip,el)
|
||||
call plastic_nonlocal_deltaState(math_Mandel33to6(Mp),ip,el)
|
||||
|
||||
end select plasticityType
|
||||
|
||||
|
|
@ -1089,8 +1098,10 @@ function constitutive_postResults(S6, Fi, FeArray, ipc, ip, el)
|
|||
plastic_phenopowerlaw_postResults(Mp,instance,of)
|
||||
|
||||
case (PLASTICITY_KINEHARDENING_ID) plasticityType
|
||||
of = phasememberAt(ipc,ip,el)
|
||||
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
|
||||
constitutive_postResults(startPos:endPos) = &
|
||||
plastic_kinehardening_postResults(S6,ipc,ip,el)
|
||||
plastic_kinehardening_postResults(Mp,instance,of)
|
||||
|
||||
case (PLASTICITY_DISLOTWIN_ID) plasticityType
|
||||
of = phasememberAt(ipc,ip,el)
|
||||
|
|
@ -1126,4 +1137,43 @@ function constitutive_postResults(S6, Fi, FeArray, ipc, ip, el)
|
|||
|
||||
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
|
||||
|
|
|
|||
|
|
@ -63,8 +63,7 @@ module plastic_disloUCLA
|
|||
interaction_SlipSlip, & !< slip resistance from slip activity
|
||||
forestProjectionEdge
|
||||
real(pReal), allocatable, dimension(:,:,:) :: &
|
||||
Schmid_slip, &
|
||||
Schmid_twin, &
|
||||
Schmid, &
|
||||
nonSchmid_pos, &
|
||||
nonSchmid_neg
|
||||
integer(pInt) :: &
|
||||
|
|
@ -77,13 +76,11 @@ module plastic_disloUCLA
|
|||
dipoleformation
|
||||
end type !< container type for internal constitutive parameters
|
||||
|
||||
type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance)
|
||||
|
||||
type, private :: tDisloUCLAState
|
||||
real(pReal), pointer, dimension(:,:) :: &
|
||||
rhoEdge, &
|
||||
rhoEdgeDip, &
|
||||
accshear_slip
|
||||
accshear
|
||||
end type
|
||||
|
||||
type, private :: tDisloUCLAdependentState
|
||||
|
|
@ -93,6 +90,8 @@ module plastic_disloUCLA
|
|||
threshold_stress
|
||||
end type tDisloUCLAdependentState
|
||||
|
||||
|
||||
type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance)
|
||||
type(tDisloUCLAState ), allocatable, dimension(:), private :: &
|
||||
dotState, &
|
||||
state
|
||||
|
|
@ -110,6 +109,7 @@ module plastic_disloUCLA
|
|||
|
||||
contains
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief module initialization
|
||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||
|
|
@ -152,7 +152,7 @@ subroutine plastic_disloUCLA_init()
|
|||
f,j,k,o, &
|
||||
Ninstance, &
|
||||
p, i, &
|
||||
NipcMyPhase, outputSize, &
|
||||
NipcMyPhase, &
|
||||
sizeState, sizeDotState, &
|
||||
startIndex, endIndex
|
||||
|
||||
|
|
@ -213,7 +213,7 @@ subroutine plastic_disloUCLA_init()
|
|||
prm%Nslip = config%getInts('nslip',defaultVal=emptyIntArray)
|
||||
prm%totalNslip = sum(prm%Nslip)
|
||||
slipActive: if (prm%totalNslip > 0_pInt) then
|
||||
prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%Nslip,structure(1:3),&
|
||||
prm%Schmid = lattice_SchmidMatrix_slip(prm%Nslip,structure(1:3),&
|
||||
config%getFloat('c/a',defaultVal=0.0_pReal))
|
||||
if(structure=='bcc') then
|
||||
prm%nonSchmidCoeff = config%getFloats('nonschmid_coefficients',&
|
||||
|
|
@ -221,8 +221,8 @@ subroutine plastic_disloUCLA_init()
|
|||
prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt)
|
||||
prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt)
|
||||
else
|
||||
prm%nonSchmid_pos = prm%Schmid_slip
|
||||
prm%nonSchmid_neg = prm%Schmid_slip
|
||||
prm%nonSchmid_pos = prm%Schmid
|
||||
prm%nonSchmid_neg = prm%Schmid
|
||||
endif
|
||||
prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, &
|
||||
config%getFloats('interaction_slipslip'), &
|
||||
|
|
@ -272,17 +272,17 @@ subroutine plastic_disloUCLA_init()
|
|||
prm%tau0 = prm%tau_peierls + prm%SolidSolutionStrength
|
||||
|
||||
! sanity checks
|
||||
if ( prm%D0 <= 0.0_pReal) extmsg = trim(extmsg)//' d0'
|
||||
if ( prm%Qsd <= 0.0_pReal) extmsg = trim(extmsg)//' qsd'
|
||||
if (any(prm%rho0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedge0'
|
||||
if (any(prm%rhoDip0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedgedip0'
|
||||
if (any(prm%v0 < 0.0_pReal)) extmsg = trim(extmsg)//' v0'
|
||||
if (any(prm%burgers <= 0.0_pReal)) extmsg = trim(extmsg)//' slipburgers'
|
||||
if (any(prm%H0kp <= 0.0_pReal)) extmsg = trim(extmsg)//' qedge'
|
||||
if (any(prm%tau_peierls < 0.0_pReal)) extmsg = trim(extmsg)//' tau_peierls'
|
||||
if ( prm%D0 <= 0.0_pReal) extmsg = trim(extmsg)//' d0'
|
||||
if ( prm%Qsd <= 0.0_pReal) extmsg = trim(extmsg)//' qsd'
|
||||
if (any(prm%minDipDistance <= 0.0_pReal)) extmsg = trim(extmsg)//' cedgedipmindistance or slipburgers'
|
||||
if (any(prm%atomicVolume <= 0.0_pReal)) extmsg = trim(extmsg)//' catomicvolume or slipburgers'
|
||||
|
||||
!if (plastic_disloUCLA_CAtomicVolume(instance) <= 0.0_pReal) &
|
||||
! call IO_error(211_pInt,el=instance,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOUCLA_label//')')
|
||||
else slipActive
|
||||
allocate(prm%rho0(0))
|
||||
allocate(prm%rhoDip0(0))
|
||||
|
|
@ -299,7 +299,6 @@ subroutine plastic_disloUCLA_init()
|
|||
allocate(prm%outputID(0))
|
||||
do i=1_pInt, size(outputs)
|
||||
outputID = undefined_ID
|
||||
outputSize = prm%totalNslip
|
||||
select case(trim(outputs(i)))
|
||||
|
||||
case ('edge_density')
|
||||
|
|
@ -321,7 +320,7 @@ subroutine plastic_disloUCLA_init()
|
|||
|
||||
if (outputID /= undefined_ID) then
|
||||
plastic_disloUCLA_output(i,phase_plasticityInstance(p)) = outputs(i)
|
||||
plastic_disloUCLA_sizePostResult(i,phase_plasticityInstance(p)) = outputSize
|
||||
plastic_disloUCLA_sizePostResult(i,phase_plasticityInstance(p)) = prm%totalNslip
|
||||
prm%outputID = [prm%outputID, outputID]
|
||||
endif
|
||||
|
||||
|
|
@ -329,7 +328,7 @@ subroutine plastic_disloUCLA_init()
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! allocate state arrays
|
||||
NipcMyPhase = count(material_phase==p)
|
||||
NipcMyPhase = count(material_phase == p)
|
||||
sizeDotState = int(size(['rhoEdge ','rhoEdgeDip ','accshearslip']),pInt) * prm%totalNslip
|
||||
sizeState = sizeDotState
|
||||
|
||||
|
|
@ -373,9 +372,9 @@ subroutine plastic_disloUCLA_init()
|
|||
|
||||
startIndex = endIndex + 1_pInt
|
||||
endIndex = endIndex + prm%totalNslip
|
||||
stt%accshear_slip=>plasticState(p)%state(startIndex:endIndex,:)
|
||||
dot%accshear_slip=>plasticState(p)%dotState(startIndex:endIndex,:)
|
||||
plasticState(p)%aTolState(startIndex:endIndex) = 1e6_pReal
|
||||
stt%accshear=>plasticState(p)%state(startIndex:endIndex,:)
|
||||
dot%accshear=>plasticState(p)%dotState(startIndex:endIndex,:)
|
||||
plasticState(p)%aTolState(startIndex:endIndex) = 1e6_pReal !ToDo: better make optional parameter
|
||||
! global alias
|
||||
plasticState(p)%slipRate => plasticState(p)%dotState(startIndex:endIndex,:)
|
||||
plasticState(p)%accumulatedSlip => plasticState(p)%state(startIndex:endIndex,:)
|
||||
|
|
@ -393,36 +392,6 @@ subroutine plastic_disloUCLA_init()
|
|||
end subroutine plastic_disloUCLA_init
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief calculates derived quantities from state
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine plastic_disloUCLA_dependentState(instance,of)
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: instance, of
|
||||
|
||||
integer(pInt) :: &
|
||||
i
|
||||
|
||||
associate(prm => param(instance), stt => state(instance),dst => dependentState(instance))
|
||||
|
||||
forall (i = 1_pInt:prm%totalNslip)
|
||||
dst%dislocationSpacing(i,of) = sqrt(dot_product(stt%rhoEdge(:,of)+stt%rhoEdgeDip(:,of), &
|
||||
prm%forestProjectionEdge(:,i)))
|
||||
dst%threshold_stress(i,of) = prm%mu*prm%burgers(i) &
|
||||
* sqrt(dot_product(stt%rhoEdge(:,of)+stt%rhoEdgeDip(:,of), &
|
||||
prm%interaction_SlipSlip(i,:)))
|
||||
end forall
|
||||
|
||||
dst%mfp(:,of) = prm%grainSize/(1.0_pReal+prm%grainSize*dst%dislocationSpacing(:,of)/prm%Clambda)
|
||||
dst%dislocationSpacing(:,of) = dst%mfp(:,of) ! ToDo: Hack to recover wrong behavior for the moment
|
||||
|
||||
end associate
|
||||
|
||||
|
||||
end subroutine plastic_disloUCLA_dependentState
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief calculates plastic velocity gradient and its tangent
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -445,22 +414,22 @@ pure subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,inst
|
|||
integer(pInt) :: &
|
||||
i,k,l,m,n
|
||||
real(pReal), dimension(param(instance)%totalNslip) :: &
|
||||
dgdot_dtauslip_pos,dgdot_dtauslip_neg, &
|
||||
gdot_slip_pos,gdot_slip_neg
|
||||
gdot_pos,gdot_neg, &
|
||||
dgdot_dtau_pos,dgdot_dtau_neg
|
||||
|
||||
Lp = 0.0_pReal
|
||||
dLp_dMp = 0.0_pReal
|
||||
|
||||
associate(prm => param(instance))
|
||||
|
||||
call kinetics(Mp,Temperature,instance,of,gdot_slip_pos,gdot_slip_neg,dgdot_dtauslip_pos,dgdot_dtauslip_neg)
|
||||
slipSystems: do i = 1_pInt, prm%totalNslip
|
||||
Lp = Lp + (gdot_slip_pos(i)+gdot_slip_neg(i))*prm%Schmid_slip(1:3,1:3,i)
|
||||
call kinetics(Mp,Temperature,instance,of,gdot_pos,gdot_neg,dgdot_dtau_pos,dgdot_dtau_neg)
|
||||
do i = 1_pInt, prm%totalNslip
|
||||
Lp = Lp + (gdot_pos(i)+gdot_neg(i))*prm%Schmid(1:3,1:3,i)
|
||||
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
|
||||
dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
|
||||
+ dgdot_dtauslip_pos(i) * prm%Schmid_slip(k,l,i) * prm%nonSchmid_pos(m,n,i) &
|
||||
+ dgdot_dtauslip_neg(i) * prm%Schmid_slip(k,l,i) * prm%nonSchmid_neg(m,n,i)
|
||||
enddo slipSystems
|
||||
+ dgdot_dtau_pos(i) * prm%Schmid(k,l,i) * prm%nonSchmid_pos(m,n,i) &
|
||||
+ dgdot_dtau_neg(i) * prm%Schmid(k,l,i) * prm%nonSchmid_neg(m,n,i)
|
||||
enddo
|
||||
|
||||
end associate
|
||||
|
||||
|
|
@ -479,39 +448,40 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of)
|
|||
math_clip
|
||||
|
||||
implicit none
|
||||
real(pReal), dimension(3,3), intent(in):: &
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
real(pReal), intent(in) :: &
|
||||
temperature !< temperature
|
||||
integer(pInt), intent(in) :: &
|
||||
instance, of
|
||||
instance, &
|
||||
of
|
||||
|
||||
real(pReal) :: &
|
||||
VacancyDiffusion
|
||||
real(pReal), dimension(param(instance)%totalNslip) :: &
|
||||
gdot_slip_pos, gdot_slip_neg,&
|
||||
tau_slip_pos,&
|
||||
tau_slip_neg, &
|
||||
gdot_pos, gdot_neg,&
|
||||
tau_pos,&
|
||||
tau_neg, &
|
||||
DotRhoDipFormation, ClimbVelocity, EdgeDipDistance, &
|
||||
DotRhoEdgeDipClimb
|
||||
|
||||
associate(prm => param(instance), stt => state(instance),dot => dotState(instance), dst => dependentState(instance))
|
||||
|
||||
call kinetics(Mp,Temperature,instance,of,&
|
||||
gdot_slip_pos,gdot_slip_neg, &
|
||||
tau_slip_pos1 = tau_slip_pos,tau_slip_neg1 = tau_slip_neg)
|
||||
gdot_pos,gdot_neg, &
|
||||
tau_pos1 = tau_pos,tau_neg1 = tau_neg)
|
||||
|
||||
dot%accshear_slip(:,of) = (gdot_slip_pos+gdot_slip_neg) ! ToDo: needs to be abs
|
||||
dot%accshear(:,of) = (gdot_pos+gdot_neg) ! ToDo: needs to be abs
|
||||
VacancyDiffusion = prm%D0*exp(-prm%Qsd/(kB*Temperature))
|
||||
|
||||
where(dEq0(tau_slip_pos)) ! ToDo: use avg of pos and neg
|
||||
where(dEq0(tau_pos)) ! ToDo: use avg of pos and neg
|
||||
DotRhoDipFormation = 0.0_pReal
|
||||
DotRhoEdgeDipClimb = 0.0_pReal
|
||||
else where
|
||||
EdgeDipDistance = math_clip((3.0_pReal*prm%mu*prm%burgers)/(16.0_pReal*PI*abs(tau_slip_pos)), &
|
||||
EdgeDipDistance = math_clip((3.0_pReal*prm%mu*prm%burgers)/(16.0_pReal*PI*abs(tau_pos)), &
|
||||
prm%minDipDistance, & ! lower limit
|
||||
dst%mfp(:,of)) ! upper limit
|
||||
DotRhoDipFormation = merge(((2.0_pReal*EdgeDipDistance)/prm%burgers)* stt%rhoEdge(:,of)*abs(dot%accshear_slip(:,of)), & ! ToDo: ignore region of spontaneous annihilation
|
||||
DotRhoDipFormation = merge(((2.0_pReal*EdgeDipDistance)/prm%burgers)* stt%rhoEdge(:,of)*abs(dot%accshear(:,of)), & ! ToDo: ignore region of spontaneous annihilation
|
||||
0.0_pReal, &
|
||||
prm%dipoleformation)
|
||||
ClimbVelocity = (3.0_pReal*prm%mu*VacancyDiffusion*prm%atomicVolume/(2.0_pReal*pi*kB*Temperature)) &
|
||||
|
|
@ -519,11 +489,11 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of)
|
|||
DotRhoEdgeDipClimb = (4.0_pReal*ClimbVelocity*stt%rhoEdgeDip(:,of))/(EdgeDipDistance-prm%minDipDistance) ! ToDo: Discuss with Franz: Stress dependency?
|
||||
end where
|
||||
|
||||
dot%rhoEdge(:,of) = abs(dot%accshear_slip(:,of))/(prm%burgers*dst%mfp(:,of)) & ! multiplication
|
||||
dot%rhoEdge(:,of) = abs(dot%accshear(:,of))/(prm%burgers*dst%mfp(:,of)) & ! multiplication
|
||||
- DotRhoDipFormation &
|
||||
- (2.0_pReal*prm%minDipDistance)/prm%burgers*stt%rhoEdge(:,of)*abs(dot%accshear_slip(:,of)) !* Spontaneous annihilation of 2 single edge dislocations
|
||||
- (2.0_pReal*prm%minDipDistance)/prm%burgers*stt%rhoEdge(:,of)*abs(dot%accshear(:,of)) !* Spontaneous annihilation of 2 single edge dislocations
|
||||
dot%rhoEdgeDip(:,of) = DotRhoDipFormation &
|
||||
- (2.0_pReal*prm%minDipDistance)/prm%burgers*stt%rhoEdgeDip(:,of)*abs(dot%accshear_slip(:,of)) & !* Spontaneous annihilation of a single edge dislocation with a dipole constituent
|
||||
- (2.0_pReal*prm%minDipDistance)/prm%burgers*stt%rhoEdgeDip(:,of)*abs(dot%accshear(:,of)) & !* Spontaneous annihilation of a single edge dislocation with a dipole constituent
|
||||
- DotRhoEdgeDipClimb
|
||||
|
||||
end associate
|
||||
|
|
@ -531,6 +501,37 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of)
|
|||
end subroutine plastic_disloUCLA_dotState
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief calculates derived quantities from state
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine plastic_disloUCLA_dependentState(instance,of)
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: &
|
||||
instance, &
|
||||
of
|
||||
|
||||
integer(pInt) :: &
|
||||
i
|
||||
|
||||
associate(prm => param(instance), stt => state(instance),dst => dependentState(instance))
|
||||
|
||||
forall (i = 1_pInt:prm%totalNslip)
|
||||
dst%dislocationSpacing(i,of) = sqrt(dot_product(stt%rhoEdge(:,of)+stt%rhoEdgeDip(:,of), &
|
||||
prm%forestProjectionEdge(:,i)))
|
||||
dst%threshold_stress(i,of) = prm%mu*prm%burgers(i) &
|
||||
* sqrt(dot_product(stt%rhoEdge(:,of)+stt%rhoEdgeDip(:,of), &
|
||||
prm%interaction_SlipSlip(i,:)))
|
||||
end forall
|
||||
|
||||
dst%mfp(:,of) = prm%grainSize/(1.0_pReal+prm%grainSize*dst%dislocationSpacing(:,of)/prm%Clambda)
|
||||
dst%dislocationSpacing(:,of) = dst%mfp(:,of) ! ToDo: Hack to recover wrong behavior for the moment
|
||||
|
||||
end associate
|
||||
|
||||
end subroutine plastic_disloUCLA_dependentState
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief return array of constitutive results
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -556,7 +557,7 @@ function plastic_disloUCLA_postResults(Mp,Temperature,instance,of) result(postRe
|
|||
integer(pInt) :: &
|
||||
o,c,i
|
||||
real(pReal), dimension(param(instance)%totalNslip) :: &
|
||||
gdot_slip_pos,gdot_slip_neg
|
||||
gdot_pos,gdot_neg
|
||||
|
||||
c = 0_pInt
|
||||
|
||||
|
|
@ -570,10 +571,10 @@ function plastic_disloUCLA_postResults(Mp,Temperature,instance,of) result(postRe
|
|||
case (rhoDip_ID)
|
||||
postResults(c+1_pInt:c+prm%totalNslip) = stt%rhoEdgeDip(1_pInt:prm%totalNslip,of)
|
||||
case (shearrate_ID)
|
||||
call kinetics(Mp,Temperature,instance,of,gdot_slip_pos,gdot_slip_neg)
|
||||
postResults(c+1:c+prm%totalNslip) = gdot_slip_pos + gdot_slip_neg
|
||||
call kinetics(Mp,Temperature,instance,of,gdot_pos,gdot_neg)
|
||||
postResults(c+1:c+prm%totalNslip) = gdot_pos + gdot_neg
|
||||
case (accumulatedshear_ID)
|
||||
postResults(c+1_pInt:c+prm%totalNslip) = stt%accshear_slip(1_pInt:prm%totalNslip, of)
|
||||
postResults(c+1_pInt:c+prm%totalNslip) = stt%accshear(1_pInt:prm%totalNslip, of)
|
||||
case (mfp_ID)
|
||||
postResults(c+1_pInt:c+prm%totalNslip) = dst%mfp(1_pInt:prm%totalNslip, of)
|
||||
case (thresholdstress_ID)
|
||||
|
|
@ -608,7 +609,7 @@ end function plastic_disloUCLA_postResults
|
|||
! have the optional arguments at the end
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
pure subroutine kinetics(Mp,Temperature,instance,of, &
|
||||
gdot_slip_pos,gdot_slip_neg,dgdot_dtauslip_pos,dgdot_dtauslip_neg,tau_slip_pos1,tau_slip_neg1)
|
||||
gdot_pos,gdot_neg,dgdot_dtau_pos,dgdot_dtau_neg,tau_pos1,tau_neg1)
|
||||
use prec, only: &
|
||||
tol_math_check, &
|
||||
dEq, dNeq0
|
||||
|
|
@ -626,119 +627,119 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
|
|||
of
|
||||
|
||||
real(pReal), intent(out), dimension(param(instance)%totalNslip) :: &
|
||||
gdot_slip_pos, &
|
||||
gdot_slip_neg
|
||||
gdot_pos, &
|
||||
gdot_neg
|
||||
real(pReal), intent(out), optional, dimension(param(instance)%totalNslip) :: &
|
||||
dgdot_dtauslip_pos, &
|
||||
dgdot_dtauslip_neg, &
|
||||
tau_slip_pos1, &
|
||||
tau_slip_neg1
|
||||
dgdot_dtau_pos, &
|
||||
dgdot_dtau_neg, &
|
||||
tau_pos1, &
|
||||
tau_neg1
|
||||
real(pReal), dimension(param(instance)%totalNslip) :: &
|
||||
StressRatio, &
|
||||
StressRatio_p,StressRatio_pminus1, &
|
||||
dvel_slip, vel_slip, &
|
||||
tau_slip_pos,tau_slip_neg, &
|
||||
dvel, vel, &
|
||||
tau_pos,tau_neg, &
|
||||
needsGoodName ! ToDo: @Karo: any idea?
|
||||
integer(pInt) :: j
|
||||
|
||||
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
|
||||
|
||||
do j = 1_pInt, prm%totalNslip
|
||||
tau_slip_pos(j) = math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,j))
|
||||
tau_slip_neg(j) = math_mul33xx33(Mp,prm%nonSchmid_neg(1:3,1:3,j))
|
||||
tau_pos(j) = math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,j))
|
||||
tau_neg(j) = math_mul33xx33(Mp,prm%nonSchmid_neg(1:3,1:3,j))
|
||||
enddo
|
||||
|
||||
|
||||
if (present(tau_slip_pos1)) tau_slip_pos1 = tau_slip_pos
|
||||
if (present(tau_slip_neg1)) tau_slip_neg1 = tau_slip_neg
|
||||
if (present(tau_pos1)) tau_pos1 = tau_pos
|
||||
if (present(tau_neg1)) tau_neg1 = tau_neg
|
||||
|
||||
associate(BoltzmannRatio => prm%H0kp/(kB*Temperature), &
|
||||
DotGamma0 => stt%rhoEdge(:,of)*prm%burgers*prm%v0, &
|
||||
effectiveLength => dst%mfp(:,of) - prm%w)
|
||||
|
||||
significantPositiveTau: where(abs(tau_slip_pos)-dst%threshold_stress(:,of) > tol_math_check)
|
||||
StressRatio = (abs(tau_slip_pos)-dst%threshold_stress(:,of))/prm%tau0
|
||||
significantPositiveTau: where(abs(tau_pos)-dst%threshold_stress(:,of) > tol_math_check)
|
||||
StressRatio = (abs(tau_pos)-dst%threshold_stress(:,of))/prm%tau0
|
||||
StressRatio_p = StressRatio** prm%p
|
||||
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
|
||||
needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q)
|
||||
|
||||
vel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega &
|
||||
* effectiveLength * tau_slip_pos * needsGoodName &
|
||||
/ ( 2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_pos &
|
||||
vel = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega &
|
||||
* effectiveLength * tau_pos * needsGoodName &
|
||||
/ ( 2.0_pReal*(prm%burgers**2.0_pReal)*tau_pos &
|
||||
+ prm%omega * prm%B * effectiveLength**2.0_pReal* needsGoodName &
|
||||
)
|
||||
|
||||
gdot_slip_pos = DotGamma0 * sign(vel_slip,tau_slip_pos) * 0.5_pReal
|
||||
gdot_pos = DotGamma0 * sign(vel,tau_pos) * 0.5_pReal
|
||||
else where significantPositiveTau
|
||||
gdot_slip_pos = 0.0_pReal
|
||||
gdot_pos = 0.0_pReal
|
||||
end where significantPositiveTau
|
||||
|
||||
if (present(dgdot_dtauslip_pos)) then
|
||||
significantPositiveTau2: where(abs(tau_slip_pos)-dst%threshold_stress(:,of) > tol_math_check)
|
||||
dvel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega* effectiveLength &
|
||||
if (present(dgdot_dtau_pos)) then
|
||||
significantPositiveTau2: where(abs(tau_pos)-dst%threshold_stress(:,of) > tol_math_check)
|
||||
dvel = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega* effectiveLength &
|
||||
* ( &
|
||||
(needsGoodName + tau_slip_pos * abs(needsGoodName)*BoltzmannRatio*prm%p &
|
||||
(needsGoodName + tau_pos * abs(needsGoodName)*BoltzmannRatio*prm%p &
|
||||
* prm%q/prm%tau0 &
|
||||
* StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) &
|
||||
) &
|
||||
* ( 2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_pos &
|
||||
* ( 2.0_pReal*(prm%burgers**2.0_pReal)*tau_pos &
|
||||
+ prm%omega * prm%B* effectiveLength **2.0_pReal* needsGoodName &
|
||||
) &
|
||||
- tau_slip_pos * needsGoodName * (2.0_pReal*prm%burgers**2.0_pReal &
|
||||
- tau_pos * needsGoodName * (2.0_pReal*prm%burgers**2.0_pReal &
|
||||
+ prm%omega * prm%B *effectiveLength **2.0_pReal&
|
||||
* (abs(needsGoodName)*BoltzmannRatio*prm%p *prm%q/prm%tau0 &
|
||||
*StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) )&
|
||||
) &
|
||||
) &
|
||||
/(2.0_pReal*prm%burgers**2.0_pReal*tau_slip_pos &
|
||||
/(2.0_pReal*prm%burgers**2.0_pReal*tau_pos &
|
||||
+ prm%omega * prm%B* effectiveLength**2.0_pReal* needsGoodName )**2.0_pReal
|
||||
|
||||
dgdot_dtauslip_pos = DotGamma0 * dvel_slip* 0.5_pReal
|
||||
dgdot_dtau_pos = DotGamma0 * dvel* 0.5_pReal
|
||||
else where significantPositiveTau2
|
||||
dgdot_dtauslip_pos = 0.0_pReal
|
||||
dgdot_dtau_pos = 0.0_pReal
|
||||
end where significantPositiveTau2
|
||||
endif
|
||||
|
||||
significantNegativeTau: where(abs(tau_slip_neg)-dst%threshold_stress(:,of) > tol_math_check)
|
||||
StressRatio = (abs(tau_slip_neg)-dst%threshold_stress(:,of))/prm%tau0
|
||||
significantNegativeTau: where(abs(tau_neg)-dst%threshold_stress(:,of) > tol_math_check)
|
||||
StressRatio = (abs(tau_neg)-dst%threshold_stress(:,of))/prm%tau0
|
||||
StressRatio_p = StressRatio** prm%p
|
||||
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
|
||||
needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q)
|
||||
|
||||
vel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega &
|
||||
* effectiveLength * tau_slip_neg * needsGoodName &
|
||||
/ ( 2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_neg &
|
||||
vel = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega &
|
||||
* effectiveLength * tau_neg * needsGoodName &
|
||||
/ ( 2.0_pReal*(prm%burgers**2.0_pReal)*tau_neg &
|
||||
+ prm%omega * prm%B * effectiveLength**2.0_pReal* needsGoodName &
|
||||
)
|
||||
|
||||
gdot_slip_neg = DotGamma0 * sign(vel_slip,tau_slip_neg) * 0.5_pReal
|
||||
gdot_neg = DotGamma0 * sign(vel,tau_neg) * 0.5_pReal
|
||||
else where significantNegativeTau
|
||||
gdot_slip_neg = 0.0_pReal
|
||||
gdot_neg = 0.0_pReal
|
||||
end where significantNegativeTau
|
||||
|
||||
if (present(dgdot_dtauslip_neg)) then
|
||||
significantNegativeTau2: where(abs(tau_slip_neg)-dst%threshold_stress(:,of) > tol_math_check)
|
||||
dvel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega* effectiveLength &
|
||||
if (present(dgdot_dtau_neg)) then
|
||||
significantNegativeTau2: where(abs(tau_neg)-dst%threshold_stress(:,of) > tol_math_check)
|
||||
dvel = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega* effectiveLength &
|
||||
* ( &
|
||||
(needsGoodName + tau_slip_neg * abs(needsGoodName)*BoltzmannRatio*prm%p &
|
||||
(needsGoodName + tau_neg * abs(needsGoodName)*BoltzmannRatio*prm%p &
|
||||
* prm%q/prm%tau0 &
|
||||
* StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) &
|
||||
) &
|
||||
* ( 2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_neg &
|
||||
* ( 2.0_pReal*(prm%burgers**2.0_pReal)*tau_neg &
|
||||
+ prm%omega * prm%B* effectiveLength **2.0_pReal* needsGoodName &
|
||||
) &
|
||||
- tau_slip_neg * needsGoodName * (2.0_pReal*prm%burgers**2.0_pReal &
|
||||
- tau_neg * needsGoodName * (2.0_pReal*prm%burgers**2.0_pReal &
|
||||
+ prm%omega * prm%B *effectiveLength **2.0_pReal&
|
||||
* (abs(needsGoodName)*BoltzmannRatio*prm%p *prm%q/prm%tau0 &
|
||||
*StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) )&
|
||||
) &
|
||||
) &
|
||||
/(2.0_pReal*prm%burgers**2.0_pReal*tau_slip_neg &
|
||||
/(2.0_pReal*prm%burgers**2.0_pReal*tau_neg &
|
||||
+ prm%omega * prm%B* effectiveLength**2.0_pReal* needsGoodName )**2.0_pReal
|
||||
|
||||
dgdot_dtauslip_neg = DotGamma0 * dvel_slip * 0.5_pReal
|
||||
dgdot_dtau_neg = DotGamma0 * dvel * 0.5_pReal
|
||||
else where significantNegativeTau2
|
||||
dgdot_dtauslip_neg = 0.0_pReal
|
||||
dgdot_dtau_neg = 0.0_pReal
|
||||
end where significantNegativeTau2
|
||||
end if
|
||||
end associate
|
||||
|
|
|
|||
|
|
@ -50,14 +50,14 @@ module plastic_isotropic
|
|||
dilatation
|
||||
end type
|
||||
|
||||
type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance)
|
||||
|
||||
type, private :: tIsotropicState
|
||||
real(pReal), pointer, dimension(:) :: &
|
||||
flowstress, &
|
||||
accumulatedShear
|
||||
end type
|
||||
|
||||
|
||||
type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance)
|
||||
type(tIsotropicState), allocatable, dimension(:), private :: &
|
||||
dotState, &
|
||||
state
|
||||
|
|
@ -140,8 +140,8 @@ subroutine plastic_isotropic_init()
|
|||
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) &
|
||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance
|
||||
|
||||
allocate(plastic_isotropic_sizePostResult(maxval(phase_Noutput), Ninstance),source=0_pInt)
|
||||
allocate(plastic_isotropic_output(maxval(phase_Noutput), Ninstance))
|
||||
allocate(plastic_isotropic_sizePostResult(maxval(phase_Noutput),Ninstance),source=0_pInt)
|
||||
allocate(plastic_isotropic_output(maxval(phase_Noutput),Ninstance))
|
||||
plastic_isotropic_output = ''
|
||||
|
||||
allocate(param(Ninstance))
|
||||
|
|
@ -181,15 +181,15 @@ subroutine plastic_isotropic_init()
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! sanity checks
|
||||
extmsg = ''
|
||||
if (prm%aTolShear <= 0.0_pReal) extmsg = trim(extmsg)//'aTolShear '
|
||||
if (prm%tau0 < 0.0_pReal) extmsg = trim(extmsg)//'tau0 '
|
||||
if (prm%gdot0 <= 0.0_pReal) extmsg = trim(extmsg)//'gdot0 '
|
||||
if (prm%n <= 0.0_pReal) extmsg = trim(extmsg)//'n '
|
||||
if (prm%tausat <= prm%tau0) extmsg = trim(extmsg)//'tausat '
|
||||
if (prm%a <= 0.0_pReal) extmsg = trim(extmsg)//'a '
|
||||
if (prm%fTaylor <= 0.0_pReal) extmsg = trim(extmsg)//'m '
|
||||
if (prm%aTolFlowstress <= 0.0_pReal) extmsg = trim(extmsg)//'atol_flowstress '
|
||||
if (prm%aTolShear <= 0.0_pReal) extmsg = trim(extmsg)//'atol_shear '
|
||||
if (prm%aTolShear <= 0.0_pReal) extmsg = trim(extmsg)//' aTolShear'
|
||||
if (prm%tau0 < 0.0_pReal) extmsg = trim(extmsg)//' tau0'
|
||||
if (prm%gdot0 <= 0.0_pReal) extmsg = trim(extmsg)//' gdot0'
|
||||
if (prm%n <= 0.0_pReal) extmsg = trim(extmsg)//' n'
|
||||
if (prm%tausat <= prm%tau0) extmsg = trim(extmsg)//' tausat'
|
||||
if (prm%a <= 0.0_pReal) extmsg = trim(extmsg)//' a'
|
||||
if (prm%fTaylor <= 0.0_pReal) extmsg = trim(extmsg)//' m'
|
||||
if (prm%aTolFlowstress <= 0.0_pReal) extmsg = trim(extmsg)//' atol_flowstress'
|
||||
if (prm%aTolShear <= 0.0_pReal) extmsg = trim(extmsg)//' atol_shear'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! exit if any parameter is out of range
|
||||
|
|
@ -231,17 +231,17 @@ subroutine plastic_isotropic_init()
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! locally defined state aliases and initialization of state0 and aTolState
|
||||
stt%flowstress => plasticState(p)%state (1,1:NipcMyPhase)
|
||||
stt%flowstress => plasticState(p)%state (1,:)
|
||||
stt%flowstress = prm%tau0
|
||||
dot%flowstress => plasticState(p)%dotState (1,1:NipcMyPhase)
|
||||
dot%flowstress => plasticState(p)%dotState(1,:)
|
||||
plasticState(p)%aTolState(1) = prm%aTolFlowstress
|
||||
|
||||
stt%accumulatedShear => plasticState(p)%state (2,1:NipcMyPhase)
|
||||
dot%accumulatedShear => plasticState(p)%dotState (2,1:NipcMyPhase)
|
||||
stt%accumulatedShear => plasticState(p)%state (2,:)
|
||||
dot%accumulatedShear => plasticState(p)%dotState(2,:)
|
||||
plasticState(p)%aTolState(2) = prm%aTolShear
|
||||
! global alias
|
||||
plasticState(p)%slipRate => plasticState(p)%dotState(2:2,1:NipcMyPhase)
|
||||
plasticState(p)%accumulatedSlip => plasticState(p)%state (2:2,1:NipcMyPhase)
|
||||
plasticState(p)%slipRate => plasticState(p)%dotState(2:2,:)
|
||||
plasticState(p)%accumulatedSlip => plasticState(p)%state (2:2,:)
|
||||
|
||||
plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally
|
||||
|
||||
|
|
|
|||
File diff suppressed because it is too large
Load Diff
|
|
@ -60,7 +60,6 @@ subroutine plastic_none_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! allocate state arrays
|
||||
NipcMyPhase = count(material_phase == p)
|
||||
|
||||
call material_allocatePlasticState(p,NipcMyPhase,0_pInt,0_pInt,0_pInt, &
|
||||
0_pInt,0_pInt,0_pInt)
|
||||
plasticState(p)%sizePostResults = 0_pInt
|
||||
|
|
|
|||
|
|
@ -74,8 +74,6 @@ module plastic_phenopowerlaw
|
|||
outputID !< ID of each post result output
|
||||
end type !< container type for internal constitutive parameters
|
||||
|
||||
type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance)
|
||||
|
||||
type, private :: tPhenopowerlawState
|
||||
real(pReal), pointer, dimension(:,:) :: &
|
||||
xi_slip, &
|
||||
|
|
@ -84,6 +82,8 @@ module plastic_phenopowerlaw
|
|||
gamma_twin
|
||||
end type
|
||||
|
||||
|
||||
type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance)
|
||||
type(tPhenopowerlawState), allocatable, dimension(:), private :: &
|
||||
dotState, &
|
||||
state
|
||||
|
|
@ -92,13 +92,15 @@ module plastic_phenopowerlaw
|
|||
plastic_phenopowerlaw_init, &
|
||||
plastic_phenopowerlaw_LpAndItsTangent, &
|
||||
plastic_phenopowerlaw_dotState, &
|
||||
plastic_phenopowerlaw_postResults
|
||||
plastic_phenopowerlaw_postResults, &
|
||||
plastic_phenopowerlaw_results
|
||||
private :: &
|
||||
kinetics_slip, &
|
||||
kinetics_twin
|
||||
|
||||
contains
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief module initialization
|
||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||
|
|
@ -232,9 +234,9 @@ subroutine plastic_phenopowerlaw_init
|
|||
prm%H_int = math_expand(prm%H_int, prm%Nslip)
|
||||
|
||||
! sanity checks
|
||||
if (prm%gdot0_slip <= 0.0_pReal) extmsg = trim(extmsg)//' gdot0_slip'
|
||||
if (prm%a_slip <= 0.0_pReal) extmsg = trim(extmsg)//' a_slip'
|
||||
if (prm%n_slip <= 0.0_pReal) extmsg = trim(extmsg)//' n_slip'
|
||||
if ( prm%gdot0_slip <= 0.0_pReal) extmsg = trim(extmsg)//' gdot0_slip'
|
||||
if ( prm%a_slip <= 0.0_pReal) extmsg = trim(extmsg)//' a_slip'
|
||||
if ( prm%n_slip <= 0.0_pReal) extmsg = trim(extmsg)//' n_slip'
|
||||
if (any(prm%xi_slip_0 <= 0.0_pReal)) extmsg = trim(extmsg)//' xi_slip_0'
|
||||
if (any(prm%xi_slip_sat < prm%xi_slip_0)) extmsg = trim(extmsg)//' xi_slip_sat'
|
||||
else slipActive
|
||||
|
|
@ -341,8 +343,8 @@ subroutine plastic_phenopowerlaw_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! allocate state arrays
|
||||
NipcMyPhase = count(material_phase == p)
|
||||
sizeDotState = size(['tau_slip ','gamma_slip']) * prm%TotalNslip &
|
||||
+ size(['tau_twin ','gamma_twin']) * prm%TotalNtwin
|
||||
sizeDotState = size(['tau_slip ','gamma_slip']) * prm%totalNslip &
|
||||
+ size(['tau_twin ','gamma_twin']) * prm%totalNtwin
|
||||
sizeState = sizeDotState
|
||||
|
||||
call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,0_pInt, &
|
||||
|
|
@ -391,8 +393,8 @@ end subroutine plastic_phenopowerlaw_init
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief calculates plastic velocity gradient and its tangent
|
||||
!> @details asumme that deformation by dislocation glide affects twinned and untwinned volume
|
||||
! equally (Taylor assumption). Twinning happens only in untwinned volume (
|
||||
!> @details asummes that deformation by dislocation glide affects twinned and untwinned volume
|
||||
! equally (Taylor assumption). Twinning happens only in untwinned volume
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
pure subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
|
||||
|
||||
|
|
@ -411,8 +413,8 @@ pure subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
|
|||
integer(pInt) :: &
|
||||
i,k,l,m,n
|
||||
real(pReal), dimension(param(instance)%totalNslip) :: &
|
||||
dgdot_dtauslip_pos,dgdot_dtauslip_neg, &
|
||||
gdot_slip_pos,gdot_slip_neg
|
||||
gdot_slip_pos,gdot_slip_neg, &
|
||||
dgdot_dtauslip_pos,dgdot_dtauslip_neg
|
||||
real(pReal), dimension(param(instance)%totalNtwin) :: &
|
||||
gdot_twin,dgdot_dtautwin
|
||||
|
||||
|
|
@ -575,6 +577,35 @@ function plastic_phenopowerlaw_postResults(Mp,instance,of) result(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
|
||||
!> @details Derivatives are calculated only optionally.
|
||||
|
|
@ -601,6 +632,7 @@ pure subroutine kinetics_slip(Mp,instance,of, &
|
|||
real(pReal), intent(out), optional, dimension(param(instance)%totalNslip) :: &
|
||||
dgdot_dtau_slip_pos, &
|
||||
dgdot_dtau_slip_neg
|
||||
|
||||
real(pReal), dimension(param(instance)%totalNslip) :: &
|
||||
tau_slip_pos, &
|
||||
tau_slip_neg
|
||||
|
|
@ -625,7 +657,7 @@ pure subroutine kinetics_slip(Mp,instance,of, &
|
|||
end where
|
||||
|
||||
where(dNeq0(tau_slip_neg))
|
||||
gdot_slip_neg = 0.5_pReal*prm%gdot0_slip &
|
||||
gdot_slip_neg = prm%gdot0_slip * 0.5_pReal & ! only used if non-Schmid active, always 1/2
|
||||
* sign(abs(tau_slip_neg/stt%xi_slip(:,of))**prm%n_slip, tau_slip_neg)
|
||||
else where
|
||||
gdot_slip_neg = 0.0_pReal
|
||||
|
|
|
|||
|
|
@ -23,6 +23,8 @@ subroutine quit(stop_id)
|
|||
integer(pInt) :: error = 0_pInt
|
||||
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)
|
||||
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
|
||||
use IO, only: &
|
||||
IO_intOut, &
|
||||
IO_error, &
|
||||
IO_read_realFile, &
|
||||
IO_timeStamp
|
||||
use debug, only: &
|
||||
|
|
@ -173,7 +174,11 @@ subroutine basic_init
|
|||
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(F_aimDot))
|
||||
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
|
||||
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
|
||||
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
|
||||
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])
|
||||
|
|
|
|||
|
|
@ -78,7 +78,6 @@ contains
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @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
|
||||
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||
|
|
@ -88,6 +87,7 @@ subroutine Polarisation_init
|
|||
#endif
|
||||
use IO, only: &
|
||||
IO_intOut, &
|
||||
IO_error, &
|
||||
IO_read_realFile, &
|
||||
IO_timeStamp
|
||||
use debug, only: &
|
||||
|
|
@ -191,7 +191,11 @@ subroutine Polarisation_init
|
|||
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(F_aimDot))
|
||||
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
|
||||
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
|
||||
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
|
||||
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])
|
||||
|
|
|
|||
Loading…
Reference in New Issue