merged more recent development
This commit is contained in:
Zhuowen Zhao
commit
361cf680a5
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@ -9,9 +9,23 @@ OUTFILE="system_report.txt"
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||||||
echo ===========================================
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echo ===========================================
|
||||||
echo + Generating $OUTFILE
|
echo + Generating $OUTFILE
|
||||||
echo + Send to damask@mpie.de for support
|
echo + Send to damask@mpie.de for support
|
||||||
|
echo + view with \'cat $OUTFILE\'
|
||||||
echo ===========================================
|
echo ===========================================
|
||||||
|
|
||||||
|
function getDetails {
|
||||||
|
if which $1 &> /dev/null; then
|
||||||
|
echo ----------------------------------------------------------------------------------------------
|
||||||
|
echo $1:
|
||||||
|
echo ----------------------------------------------------------------------------------------------
|
||||||
|
echo + location:
|
||||||
|
which $1
|
||||||
|
echo + $1 $2:
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||||||
|
$1 $2
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||||||
|
echo -e '\n'
|
||||||
|
else
|
||||||
|
echo $ does not exist
|
||||||
|
fi
|
||||||
|
}
|
||||||
|
|
||||||
# redirect STDOUT and STDERR to logfile
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# redirect STDOUT and STDERR to logfile
|
||||||
# https://stackoverflow.com/questions/11229385/redirect-all-output-in-a-bash-script-when-using-set-x^
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# https://stackoverflow.com/questions/11229385/redirect-all-output-in-a-bash-script-when-using-set-x^
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||||||
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|
@ -28,13 +42,19 @@ echo
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||||||
echo ==============================================================================================
|
echo ==============================================================================================
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||||||
echo DAMASK settings
|
echo DAMASK settings
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||||||
echo ==============================================================================================
|
echo ==============================================================================================
|
||||||
|
echo ----------------------------------------------------------------------------------------------
|
||||||
echo DAMASK_ROOT:
|
echo DAMASK_ROOT:
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||||||
|
echo ----------------------------------------------------------------------------------------------
|
||||||
echo $DAMASK_ROOT
|
echo $DAMASK_ROOT
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||||||
echo
|
echo
|
||||||
|
echo ----------------------------------------------------------------------------------------------
|
||||||
echo Version:
|
echo Version:
|
||||||
|
echo ----------------------------------------------------------------------------------------------
|
||||||
cat VERSION
|
cat VERSION
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||||||
echo
|
echo
|
||||||
|
echo ----------------------------------------------------------------------------------------------
|
||||||
echo Settings in CONFIG:
|
echo Settings in CONFIG:
|
||||||
|
echo ----------------------------------------------------------------------------------------------
|
||||||
cat CONFIG
|
cat CONFIG
|
||||||
echo
|
echo
|
||||||
echo ==============================================================================================
|
echo ==============================================================================================
|
||||||
|
|
@ -46,6 +66,8 @@ echo PATH: $PATH
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||||||
echo LD_LIBRARY_PATH: $LD_LIBRARY_PATH
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echo LD_LIBRARY_PATH: $LD_LIBRARY_PATH
|
||||||
echo PYTHONPATH: $PYTHONPATH
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echo PYTHONPATH: $PYTHONPATH
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||||||
echo SHELL: $SHELL
|
echo SHELL: $SHELL
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||||||
|
echo PETSC_ARCH: $PETSC_ARCH
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||||||
|
echo PETSC_DIR: $PETSC_DIR
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||||||
echo
|
echo
|
||||||
echo ==============================================================================================
|
echo ==============================================================================================
|
||||||
echo Python
|
echo Python
|
||||||
|
|
@ -53,16 +75,14 @@ echo ===========================================================================
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||||||
|
|
||||||
DEFAULT_PYTHON=python2.7
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DEFAULT_PYTHON=python2.7
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||||||
for executable in python python2 python3 python2.7; do
|
for executable in python python2 python3 python2.7; do
|
||||||
if which $executable &> /dev/null; then
|
getDetails $executable '--version'
|
||||||
echo $executable version: $($executable --version 2>&1)
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|
||||||
else
|
|
||||||
echo $executable does not exist
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|
||||||
fi
|
|
||||||
done
|
done
|
||||||
echo Details on $DEFAULT_PYTHON: $(ls -la $(which $DEFAULT_PYTHON))
|
|
||||||
echo
|
|
||||||
for module in numpy scipy;do
|
|
||||||
echo ----------------------------------------------------------------------------------------------
|
echo ----------------------------------------------------------------------------------------------
|
||||||
|
echo Details on $DEFAULT_PYTHON:
|
||||||
|
echo ----------------------------------------------------------------------------------------------
|
||||||
|
echo $(ls -la $(which $DEFAULT_PYTHON))
|
||||||
|
for module in numpy scipy;do
|
||||||
|
echo -e '\n----------------------------------------------------------------------------------------------'
|
||||||
echo $module
|
echo $module
|
||||||
echo ----------------------------------------------------------------------------------------------
|
echo ----------------------------------------------------------------------------------------------
|
||||||
$DEFAULT_PYTHON -c "import $module; \
|
$DEFAULT_PYTHON -c "import $module; \
|
||||||
|
|
@ -86,31 +106,36 @@ echo ===========================================================================
|
||||||
echo GCC
|
echo GCC
|
||||||
echo ==============================================================================================
|
echo ==============================================================================================
|
||||||
for executable in gcc g++ gfortran ;do
|
for executable in gcc g++ gfortran ;do
|
||||||
if which $executable &> /dev/null; then
|
getDetails $executable '--version'
|
||||||
echo $(which $executable) version: $($executable --version 2>&1)
|
|
||||||
else
|
|
||||||
echo $executable does not exist
|
|
||||||
fi
|
|
||||||
done
|
done
|
||||||
echo
|
echo
|
||||||
echo ==============================================================================================
|
echo ==============================================================================================
|
||||||
echo Intel Compiler Suite
|
echo Intel Compiler Suite
|
||||||
echo ==============================================================================================
|
echo ==============================================================================================
|
||||||
for executable in icc icpc ifort ;do
|
for executable in icc icpc ifort ;do
|
||||||
if which $executable &> /dev/null; then
|
getDetails $executable '--version'
|
||||||
echo $(which $executable) version: $($executable --version 2>&1)
|
|
||||||
else
|
|
||||||
echo $executable does not exist
|
|
||||||
fi
|
|
||||||
done
|
done
|
||||||
echo
|
echo
|
||||||
echo ==============================================================================================
|
echo ==============================================================================================
|
||||||
echo MPI Wrappers
|
echo MPI Wrappers
|
||||||
echo ==============================================================================================
|
echo ==============================================================================================
|
||||||
for executable in mpicc mpiCC mpicxx mpicxx mpifort mpif90 mpif77; do
|
for executable in mpicc mpiCC mpic++ mpicpc mpicxx mpifort mpif90 mpif77; do
|
||||||
if which $executable &> /dev/null; then
|
getDetails $executable '-show'
|
||||||
echo $(which $executable) version: $($executable --show 2>&1)
|
|
||||||
else
|
|
||||||
echo $executable does not exist
|
|
||||||
fi
|
|
||||||
done
|
done
|
||||||
|
echo
|
||||||
|
echo ==============================================================================================
|
||||||
|
echo MPI Launchers
|
||||||
|
echo ==============================================================================================
|
||||||
|
for executable in mpirun mpiexec; do
|
||||||
|
getDetails $executable '--version'
|
||||||
|
done
|
||||||
|
echo
|
||||||
|
echo ==============================================================================================
|
||||||
|
echo Abaqus
|
||||||
|
echo ==============================================================================================
|
||||||
|
cd installation/mods_Abaqus # to have the right environment file
|
||||||
|
for executable in abaqus abq2016 abq2017; do
|
||||||
|
getDetails $executable 'information=all'
|
||||||
|
done
|
||||||
|
cd ../..
|
||||||
|
|
||||||
|
|
|
||||||
2
LICENSE
2
LICENSE
|
|
@ -1,4 +1,4 @@
|
||||||
Copyright 2011-17 Max-Planck-Institut für Eisenforschung GmbH
|
Copyright 2011-18 Max-Planck-Institut für Eisenforschung GmbH
|
||||||
|
|
||||||
DAMASK is free software: you can redistribute it and/or modify
|
DAMASK is free software: you can redistribute it and/or modify
|
||||||
it under the terms of the GNU General Public License as published by
|
it under the terms of the GNU General Public License as published by
|
||||||
|
|
|
||||||
|
|
@ -0,0 +1,7 @@
|
||||||
|
elasticity hooke
|
||||||
|
|
||||||
|
c11 160.0e9
|
||||||
|
c12 90.0e9
|
||||||
|
c13 66.0e9
|
||||||
|
c33 181.7e9
|
||||||
|
c44 46.5e9
|
||||||
|
|
@ -0,0 +1,11 @@
|
||||||
|
elasticity hooke
|
||||||
|
|
||||||
|
c11 100.0e9
|
||||||
|
c22 100.0e9
|
||||||
|
c33 100.0e9
|
||||||
|
c12 0.0e9
|
||||||
|
c13 0.0e9
|
||||||
|
c23 0.0e9
|
||||||
|
c44 50.0e9
|
||||||
|
c55 50.0e9
|
||||||
|
c66 50.0e9
|
||||||
|
|
@ -0,0 +1,4 @@
|
||||||
|
elasticity hooke
|
||||||
|
|
||||||
|
c11 100.0e9
|
||||||
|
c12 0.0e9
|
||||||
|
|
@ -0,0 +1,3 @@
|
||||||
|
reference_temperature 300.0
|
||||||
|
specific_heat 1
|
||||||
|
mass_density 1
|
||||||
|
|
@ -0,0 +1,8 @@
|
||||||
|
(kinematics) thermal_expansion
|
||||||
|
thermal_expansion11 9.5e-6
|
||||||
|
thermal_expansion22 9.5e-6
|
||||||
|
thermal_expansion33 5.6e-6
|
||||||
|
|
||||||
|
(source) thermal_externalheat
|
||||||
|
externalheat_time 0 500 500.001 1000 # 500 secs supplying 1 Watt, then removing 1 Watt
|
||||||
|
externalheat_rate 1 1 -1 -1
|
||||||
|
|
@ -0,0 +1,9 @@
|
||||||
|
(kinematics) thermal_expansion
|
||||||
|
thermal_expansion11 5e-6
|
||||||
|
thermal_expansion22 10e-6
|
||||||
|
thermal_expansion33 20e-6
|
||||||
|
lattice_structure orthorhombic
|
||||||
|
|
||||||
|
(source) thermal_externalheat
|
||||||
|
externalheat_time 0 500 500.001 1000 # 500 secs supplying 1 Watt, then removing 1 Watt
|
||||||
|
externalheat_rate 1 1 -1 -1
|
||||||
|
|
@ -0,0 +1,6 @@
|
||||||
|
(kinematics) thermal_expansion
|
||||||
|
thermal_expansion11 10e-6
|
||||||
|
|
||||||
|
(source) thermal_externalheat
|
||||||
|
externalheat_time 0 500 500.001 1000 # 500 secs supplying 1 Watt, then removing 1 Watt
|
||||||
|
externalheat_rate 1 1 -1 -1
|
||||||
|
|
@ -0,0 +1,427 @@
|
||||||
|
9 header
|
||||||
|
geom_addPrimitive v2.0.1-1073-gc544fa1 -c 32 32 32 -d -16 -16 -16 inclusion.geom
|
||||||
|
geom_canvas v2.0.1-1073-gc544fa1 -o 16 16 16 -g 32 32 32
|
||||||
|
geom_translate v2.0.1-1073-gc544fa1 -s 1,2,2,6 Ti_Ti.geom
|
||||||
|
geom_pack v2.0.1-1073-gc544fa1 Ti_Ti.geom isotropic_anisotropic.geom isotropic_isotropic.geom isotropic_rotated.geom
|
||||||
|
grid a 32 b 32 c 32
|
||||||
|
size x 0.5 y 0.5 z 0.5
|
||||||
|
origin x 0.25 y 0.25 z 0.25
|
||||||
|
homogenization 1
|
||||||
|
microstructures 2
|
||||||
|
8623 of 2
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2 of 6
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|
@ -0,0 +1,427 @@
|
||||||
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9 header
|
||||||
|
geom_addPrimitive v2.0.1-1073-gc544fa1 -c 32 32 32 -d -16 -16 -16 inclusion.geom
|
||||||
|
geom_canvas v2.0.1-1073-gc544fa1 -o 16 16 16 -g 32 32 32
|
||||||
|
geom_translate v2.0.1-1073-gc544fa1 -s 2,4 isotropic_anisotropic.geom
|
||||||
|
geom_pack v2.0.1-1073-gc544fa1 Ti_Ti.geom isotropic_anisotropic.geom isotropic_isotropic.geom isotropic_rotated.geom
|
||||||
|
grid a 32 b 32 c 32
|
||||||
|
size x 0.5 y 0.5 z 0.5
|
||||||
|
origin x 0.25 y 0.25 z 0.25
|
||||||
|
homogenization 1
|
||||||
|
microstructures 2
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|
@ -0,0 +1,427 @@
|
||||||
|
9 header
|
||||||
|
geom_addPrimitive v2.0.1-1073-gc544fa1 -c 32 32 32 -d -16 -16 -16 inclusion.geom
|
||||||
|
geom_canvas v2.0.1-1073-gc544fa1 -o 16 16 16 -g 32 32 32
|
||||||
|
geom_translate v2.0.1-1073-gc544fa1 -s 2,3 isotropic_isotropic.geom
|
||||||
|
geom_pack v2.0.1-1073-gc544fa1 Ti_Ti.geom isotropic_anisotropic.geom isotropic_isotropic.geom isotropic_rotated.geom
|
||||||
|
grid a 32 b 32 c 32
|
||||||
|
size x 0.5 y 0.5 z 0.5
|
||||||
|
origin x 0.25 y 0.25 z 0.25
|
||||||
|
homogenization 1
|
||||||
|
microstructures 2
|
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|
||||||
|
|
@ -0,0 +1,427 @@
|
||||||
|
9 header
|
||||||
|
geom_addPrimitive v2.0.1-1073-gc544fa1 -c 32 32 32 -d -16 -16 -16 inclusion.geom
|
||||||
|
geom_canvas v2.0.1-1073-gc544fa1 -o 16 16 16 -g 32 32 32
|
||||||
|
geom_translate v2.0.1-1073-gc544fa1 -s 2,5 isotropic_rotated.geom
|
||||||
|
geom_pack v2.0.1-1073-gc544fa1 Ti_Ti.geom isotropic_anisotropic.geom isotropic_isotropic.geom isotropic_rotated.geom
|
||||||
|
grid a 32 b 32 c 32
|
||||||
|
size x 0.5 y 0.5 z 0.5
|
||||||
|
origin x 0.25 y 0.25 z 0.25
|
||||||
|
homogenization 1
|
||||||
|
microstructures 2
|
||||||
|
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8623 of 1
|
||||||
|
|
@ -0,0 +1,111 @@
|
||||||
|
#-------------------#
|
||||||
|
<homogenization>
|
||||||
|
#-------------------#
|
||||||
|
|
||||||
|
[direct]
|
||||||
|
type none # isostrain 1 grain
|
||||||
|
|
||||||
|
thermal adiabatic # thermal strain (stress) induced mass transport
|
||||||
|
initialT 300.0
|
||||||
|
(output) temperature
|
||||||
|
|
||||||
|
#-------------------#
|
||||||
|
<crystallite>
|
||||||
|
#-------------------#
|
||||||
|
|
||||||
|
[aLittleSomething]
|
||||||
|
|
||||||
|
(output) texture
|
||||||
|
(output) f
|
||||||
|
(output) p
|
||||||
|
(output) fe
|
||||||
|
(output) fi
|
||||||
|
(output) fp
|
||||||
|
|
||||||
|
#-------------------#
|
||||||
|
<phase>
|
||||||
|
#-------------------#
|
||||||
|
|
||||||
|
#.................
|
||||||
|
[isotropic matrix]
|
||||||
|
|
||||||
|
lattice_structure isotropic
|
||||||
|
plasticity none
|
||||||
|
{config/elastic_isotropic.config}
|
||||||
|
{config/thermal.config}
|
||||||
|
|
||||||
|
#.................
|
||||||
|
[Ti matrix]
|
||||||
|
|
||||||
|
lattice_structure hex
|
||||||
|
covera_ratio 1.587
|
||||||
|
plasticity none
|
||||||
|
{config/elastic_Ti.config}
|
||||||
|
{config/thermal.config}
|
||||||
|
|
||||||
|
#.................
|
||||||
|
[isotropic inclusion]
|
||||||
|
|
||||||
|
lattice_structure isotropic
|
||||||
|
plasticity none
|
||||||
|
{config/elastic_isotropic.config}
|
||||||
|
{config/thermal.config}
|
||||||
|
{config/thermalExpansion_isotropic.config}
|
||||||
|
|
||||||
|
#.................
|
||||||
|
[anisotropic inclusion]
|
||||||
|
|
||||||
|
lattice_structure orthorhombic
|
||||||
|
plasticity none
|
||||||
|
{config/elastic_fullyAnisotropic.config}
|
||||||
|
{config/thermal.config}
|
||||||
|
{config/thermalExpansion_fullyAnisotropic.config}
|
||||||
|
|
||||||
|
#.................
|
||||||
|
[Ti inclusion]
|
||||||
|
|
||||||
|
lattice_structure hex
|
||||||
|
covera_ratio 1.587
|
||||||
|
plasticity none
|
||||||
|
{config/elastic_Ti.config}
|
||||||
|
{config/thermal.config}
|
||||||
|
{config/thermalExpansion_Ti.config}
|
||||||
|
|
||||||
|
#--------------------------#
|
||||||
|
<microstructure>
|
||||||
|
#--------------------------#
|
||||||
|
|
||||||
|
[isotropic matrix]
|
||||||
|
crystallite 1
|
||||||
|
(constituent) phase 1 texture 1 fraction 1.0
|
||||||
|
|
||||||
|
[Ti matrix]
|
||||||
|
crystallite 1
|
||||||
|
(constituent) phase 2 texture 1 fraction 1.0
|
||||||
|
|
||||||
|
[isotropic inclusion]
|
||||||
|
crystallite 1
|
||||||
|
(constituent) phase 3 texture 1 fraction 1.0
|
||||||
|
|
||||||
|
[anisotropic inclusion]
|
||||||
|
crystallite 1
|
||||||
|
(constituent) phase 4 texture 1 fraction 1.0
|
||||||
|
|
||||||
|
[rotated inclusion]
|
||||||
|
crystallite 1
|
||||||
|
(constituent) phase 4 texture 2 fraction 1.0
|
||||||
|
|
||||||
|
[Ti inclusion]
|
||||||
|
crystallite 1
|
||||||
|
(constituent) phase 5 texture 1 fraction 1.0
|
||||||
|
|
||||||
|
#--------------------------#
|
||||||
|
<texture>
|
||||||
|
#--------------------------#
|
||||||
|
|
||||||
|
[cube]
|
||||||
|
(gauss) phi1 0.0 Phi 0.0 phi2 0.0 scatter 0.0 fraction 1.0
|
||||||
|
|
||||||
|
[rotated]
|
||||||
|
(gauss) phi1 0.0 Phi 45.0 phi2 0.0 scatter 0.0 fraction 1.0
|
||||||
|
|
||||||
|
|
@ -0,0 +1,5 @@
|
||||||
|
#spectralsolver polarisation
|
||||||
|
spectralderivative fwbw_difference
|
||||||
|
err_div_tolrel 1e-3
|
||||||
|
itmin 2
|
||||||
|
petsc_options -mech_snes_type anderson -mech_snes_anderson_beta 1.0 -mech_snes_anderson_restart 10 -thermal_snes_type anderson -thermal_snes_anderson_beta 1.0
|
||||||
|
|
@ -0,0 +1,56 @@
|
||||||
|
#!/usr/local/bin/bash
|
||||||
|
|
||||||
|
for geom in $(ls geom/*.geom)
|
||||||
|
do
|
||||||
|
base=${geom%.geom}
|
||||||
|
base=${base#geom/}
|
||||||
|
name=${base}_thermal
|
||||||
|
vtr=${base}.vtr
|
||||||
|
|
||||||
|
[[ -f ${name}.spectralOut ]] || \
|
||||||
|
DAMASK_spectral \
|
||||||
|
--workingdir ./ \
|
||||||
|
--load thermal.load \
|
||||||
|
--geom $geom \
|
||||||
|
> ${name}.out
|
||||||
|
|
||||||
|
if [ ! -f postProc/${name}_inc10.txt ]
|
||||||
|
then
|
||||||
|
postResults ${name}.spectralOut \
|
||||||
|
--ho temperature \
|
||||||
|
--cr f,fe,fi,fp,p \
|
||||||
|
--split \
|
||||||
|
--separation x,y,z \
|
||||||
|
|
||||||
|
addCauchy postProc/${name}_inc*.txt \
|
||||||
|
|
||||||
|
addDeviator postProc/${name}_inc*.txt \
|
||||||
|
--spherical \
|
||||||
|
--tensor p,Cauchy \
|
||||||
|
|
||||||
|
addDisplacement postProc/${name}_inc*.txt \
|
||||||
|
--nodal \
|
||||||
|
|
||||||
|
fi
|
||||||
|
|
||||||
|
geom_check ${geom}
|
||||||
|
|
||||||
|
for inc in {00..10}
|
||||||
|
do
|
||||||
|
echo "generating postProc/${name}_inc${inc}.vtr"
|
||||||
|
cp geom/${vtr} postProc/${name}_inc${inc}.vtr
|
||||||
|
vtk_addRectilinearGridData \
|
||||||
|
postProc/${name}_inc${inc}.txt \
|
||||||
|
--inplace \
|
||||||
|
--vtk postProc/${name}_inc${inc}.vtr \
|
||||||
|
--data 'sph(p)','sph(Cauchy)',temperature \
|
||||||
|
--tensor f,fe,fi,fp,p,Cauchy \
|
||||||
|
|
||||||
|
vtk_addRectilinearGridData \
|
||||||
|
postProc/${name}_inc${inc}_nodal.txt \
|
||||||
|
--inplace \
|
||||||
|
--vtk postProc/${name}_inc${inc}.vtr \
|
||||||
|
--data 'avg(f).pos','fluct(f).pos' \
|
||||||
|
|
||||||
|
done
|
||||||
|
done
|
||||||
|
|
@ -0,0 +1 @@
|
||||||
|
Fdot 0 0 0 0 0 0 0 0 0 stress * * * * * * * * * time 1000 incs 10
|
||||||
|
|
@ -2,7 +2,7 @@
|
||||||
# -*- coding: UTF-8 no BOM -*-
|
# -*- coding: UTF-8 no BOM -*-
|
||||||
|
|
||||||
import os,re,sys,collections
|
import os,re,sys,collections
|
||||||
import math # noqa
|
import math,scipy,scipy.linalg # noqa
|
||||||
import numpy as np
|
import numpy as np
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
import damask
|
import damask
|
||||||
|
|
|
||||||
|
|
@ -29,9 +29,14 @@ parser.add_option('-m', '--microstructureoffset',
|
||||||
type = 'int', metavar = 'int',
|
type = 'int', metavar = 'int',
|
||||||
help = 'offset (positive or negative) for tagged microstructure indices. '+
|
help = 'offset (positive or negative) for tagged microstructure indices. '+
|
||||||
'"0" selects maximum microstructure index [%default]')
|
'"0" selects maximum microstructure index [%default]')
|
||||||
|
parser.add_option('-n', '--nonperiodic',
|
||||||
|
dest = 'mode',
|
||||||
|
action = 'store_const', const = 'nearest',
|
||||||
|
help = 'assume geometry to be non-periodic')
|
||||||
|
|
||||||
parser.set_defaults(vicinity = 1,
|
parser.set_defaults(vicinity = 1,
|
||||||
offset = 0,
|
offset = 0,
|
||||||
|
mode = 'wrap',
|
||||||
)
|
)
|
||||||
|
|
||||||
(options, filenames) = parser.parse_args()
|
(options, filenames) = parser.parse_args()
|
||||||
|
|
@ -79,8 +84,8 @@ for name in filenames:
|
||||||
|
|
||||||
if options.offset == 0: options.offset = microstructure.max()
|
if options.offset == 0: options.offset = microstructure.max()
|
||||||
|
|
||||||
microstructure = np.where(ndimage.filters.maximum_filter(microstructure,size=1+2*options.vicinity,mode='wrap') ==
|
microstructure = np.where(ndimage.filters.maximum_filter(microstructure,size=1+2*options.vicinity,mode=options.mode) ==
|
||||||
ndimage.filters.minimum_filter(microstructure,size=1+2*options.vicinity,mode='wrap'),
|
ndimage.filters.minimum_filter(microstructure,size=1+2*options.vicinity,mode=options.mode),
|
||||||
microstructure, microstructure + options.offset)
|
microstructure, microstructure + options.offset)
|
||||||
|
|
||||||
newInfo['microstructures'] = microstructure.max()
|
newInfo['microstructures'] = microstructure.max()
|
||||||
|
|
|
||||||
|
|
@ -251,7 +251,7 @@ for name in filenames:
|
||||||
table.head_read()
|
table.head_read()
|
||||||
|
|
||||||
errors = []
|
errors = []
|
||||||
labels = ['phi1','Phi','phi2','intensity']
|
labels = ['1_euler','2_euler','3_euler','intensity']
|
||||||
for i,index in enumerate(table.label_index(labels)):
|
for i,index in enumerate(table.label_index(labels)):
|
||||||
if index < 0: errors.append('label {} not present.'.format(labels[i]))
|
if index < 0: errors.append('label {} not present.'.format(labels[i]))
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -166,28 +166,15 @@ for name in filenames:
|
||||||
grainEuler[2,:] *= 360.0 # phi_2 is uniformly distributed
|
grainEuler[2,:] *= 360.0 # phi_2 is uniformly distributed
|
||||||
|
|
||||||
if not options.selective:
|
if not options.selective:
|
||||||
seeds = np.array([])
|
n = np.maximum(np.ones(3),np.array(options.grid*options.fraction),
|
||||||
|
dtype=int,casting='unsafe') # find max grid indices within fraction
|
||||||
while len(seeds) < options.N:
|
meshgrid = np.meshgrid(*map(np.arange,n),indexing='ij') # create a meshgrid within fraction
|
||||||
|
coords = np.vstack((meshgrid[0],meshgrid[1],meshgrid[2])).reshape(3,n.prod()).T # assemble list of 3D coordinates
|
||||||
theSeeds = np.zeros((options.N,3),dtype=float) # seed positions array
|
seeds = ((random.sample(coords,options.N)+np.random.random(options.N*3).reshape(options.N,3))\
|
||||||
gridpoints = random.sample(range(gridSize),options.N) # choose first N from random permutation of grid positions
|
/ \
|
||||||
|
(n/options.fraction)).T # pick options.N of those, rattle position,
|
||||||
theSeeds[:,0] = (np.mod(gridpoints ,options.grid[0])\
|
# and rescale to fall within fraction
|
||||||
+np.random.random(options.N)) /options.grid[0]
|
|
||||||
theSeeds[:,1] = (np.mod(gridpoints// options.grid[0] ,options.grid[1])\
|
|
||||||
+np.random.random(options.N)) /options.grid[1]
|
|
||||||
theSeeds[:,2] = (np.mod(gridpoints//(options.grid[1]*options.grid[0]),options.grid[2])\
|
|
||||||
+np.random.random(options.N)) /options.grid[2]
|
|
||||||
|
|
||||||
goodSeeds = theSeeds[np.all(theSeeds<=options.fraction,axis=1)] # pick seeds within threshold fraction
|
|
||||||
seeds = goodSeeds if len(seeds) == 0 else np.vstack((seeds,goodSeeds))
|
|
||||||
if len(seeds) > options.N: seeds = seeds[:min(options.N,len(seeds))]
|
|
||||||
|
|
||||||
seeds = seeds.T # switch layout to point index as last index
|
|
||||||
|
|
||||||
else:
|
else:
|
||||||
|
|
||||||
seeds = np.zeros((options.N,3),dtype=float) # seed positions array
|
seeds = np.zeros((options.N,3),dtype=float) # seed positions array
|
||||||
seeds[0] = np.random.random(3)*options.grid/max(options.grid)
|
seeds[0] = np.random.random(3)*options.grid/max(options.grid)
|
||||||
i = 1 # start out with one given point
|
i = 1 # start out with one given point
|
||||||
|
|
|
||||||
|
|
@ -113,7 +113,7 @@ end subroutine CPFEM_initAll
|
||||||
!> @brief allocate the arrays defined in module CPFEM and initialize them
|
!> @brief allocate the arrays defined in module CPFEM and initialize them
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine CPFEM_init
|
subroutine CPFEM_init
|
||||||
#ifdef __GFORTRAN__
|
#if __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -82,7 +82,7 @@ end subroutine CPFEM_initAll
|
||||||
!> @brief allocate the arrays defined in module CPFEM and initialize them
|
!> @brief allocate the arrays defined in module CPFEM and initialize them
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine CPFEM_init
|
subroutine CPFEM_init
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
@ -140,36 +140,28 @@ subroutine CPFEM_init
|
||||||
write(rankStr,'(a1,i0)')'_',worldrank
|
write(rankStr,'(a1,i0)')'_',worldrank
|
||||||
|
|
||||||
call IO_read_intFile(777,'recordedPhase'//trim(rankStr),modelName,size(material_phase))
|
call IO_read_intFile(777,'recordedPhase'//trim(rankStr),modelName,size(material_phase))
|
||||||
read (777,rec=1) material_phase
|
read (777,rec=1) material_phase; close (777)
|
||||||
close (777)
|
|
||||||
|
|
||||||
call IO_read_realFile(777,'convergedF'//trim(rankStr),modelName,size(crystallite_F0))
|
call IO_read_realFile(777,'convergedF'//trim(rankStr),modelName,size(crystallite_F0))
|
||||||
read (777,rec=1) crystallite_F0
|
read (777,rec=1) crystallite_F0; close (777)
|
||||||
close (777)
|
|
||||||
|
|
||||||
call IO_read_realFile(777,'convergedFp'//trim(rankStr),modelName,size(crystallite_Fp0))
|
call IO_read_realFile(777,'convergedFp'//trim(rankStr),modelName,size(crystallite_Fp0))
|
||||||
read (777,rec=1) crystallite_Fp0
|
read (777,rec=1) crystallite_Fp0; close (777)
|
||||||
close (777)
|
|
||||||
|
|
||||||
call IO_read_realFile(777,'convergedFi'//trim(rankStr),modelName,size(crystallite_Fi0))
|
call IO_read_realFile(777,'convergedFi'//trim(rankStr),modelName,size(crystallite_Fi0))
|
||||||
read (777,rec=1) crystallite_Fi0
|
read (777,rec=1) crystallite_Fi0; close (777)
|
||||||
close (777)
|
|
||||||
|
|
||||||
call IO_read_realFile(777,'convergedLp'//trim(rankStr),modelName,size(crystallite_Lp0))
|
call IO_read_realFile(777,'convergedLp'//trim(rankStr),modelName,size(crystallite_Lp0))
|
||||||
read (777,rec=1) crystallite_Lp0
|
read (777,rec=1) crystallite_Lp0; close (777)
|
||||||
close (777)
|
|
||||||
|
|
||||||
call IO_read_realFile(777,'convergedLi'//trim(rankStr),modelName,size(crystallite_Li0))
|
call IO_read_realFile(777,'convergedLi'//trim(rankStr),modelName,size(crystallite_Li0))
|
||||||
read (777,rec=1) crystallite_Li0
|
read (777,rec=1) crystallite_Li0; close (777)
|
||||||
close (777)
|
|
||||||
|
|
||||||
call IO_read_realFile(777,'convergeddPdF'//trim(rankStr),modelName,size(crystallite_dPdF0))
|
call IO_read_realFile(777,'convergeddPdF'//trim(rankStr),modelName,size(crystallite_dPdF0))
|
||||||
read (777,rec=1) crystallite_dPdF0
|
read (777,rec=1) crystallite_dPdF0; close (777)
|
||||||
close (777)
|
|
||||||
|
|
||||||
call IO_read_realFile(777,'convergedTstar'//trim(rankStr),modelName,size(crystallite_Tstar0_v))
|
call IO_read_realFile(777,'convergedTstar'//trim(rankStr),modelName,size(crystallite_Tstar0_v))
|
||||||
read (777,rec=1) crystallite_Tstar0_v
|
read (777,rec=1) crystallite_Tstar0_v; close (777)
|
||||||
close (777)
|
|
||||||
|
|
||||||
call IO_read_realFile(777,'convergedStateConst'//trim(rankStr),modelName)
|
call IO_read_realFile(777,'convergedStateConst'//trim(rankStr),modelName)
|
||||||
m = 0_pInt
|
m = 0_pInt
|
||||||
|
|
|
||||||
|
|
@ -7,7 +7,7 @@
|
||||||
!> results
|
!> results
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
program DAMASK_spectral
|
program DAMASK_spectral
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
@ -78,8 +78,7 @@ program DAMASK_spectral
|
||||||
FIELD_UNDEFINED_ID, &
|
FIELD_UNDEFINED_ID, &
|
||||||
FIELD_MECH_ID, &
|
FIELD_MECH_ID, &
|
||||||
FIELD_THERMAL_ID, &
|
FIELD_THERMAL_ID, &
|
||||||
FIELD_DAMAGE_ID, &
|
FIELD_DAMAGE_ID
|
||||||
utilities_calcPlasticity
|
|
||||||
use spectral_mech_Basic
|
use spectral_mech_Basic
|
||||||
use spectral_mech_AL
|
use spectral_mech_AL
|
||||||
use spectral_mech_Polarisation
|
use spectral_mech_Polarisation
|
||||||
|
|
@ -157,19 +156,6 @@ program DAMASK_spectral
|
||||||
MPI_finalize, &
|
MPI_finalize, &
|
||||||
MPI_allreduce, &
|
MPI_allreduce, &
|
||||||
PETScFinalize
|
PETScFinalize
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! variables related to stop criterion for yielding
|
|
||||||
real(pReal) :: plasticWorkOld, plasticWorkNew, & ! plastic work
|
|
||||||
eqTotalStrainOld, eqTotalStrainNew, & ! total equivalent strain
|
|
||||||
eqPlasticStrainOld, eqPlasticStrainNew, & ! total equivalent plastic strain
|
|
||||||
eqStressOld, eqStressNew , & ! equivalent stress
|
|
||||||
yieldStopValue
|
|
||||||
real(pReal), dimension(3,3) :: yieldStress,yieldStressOld,yieldStressNew, &
|
|
||||||
plasticStrainOld, plasticStrainNew, plasticStrainRate
|
|
||||||
integer(pInt) :: yieldResUnit = 0_pInt
|
|
||||||
integer(pInt) :: stressstrainUnit = 0_pInt
|
|
||||||
character(len=13) :: stopFlag
|
|
||||||
logical :: yieldStop, yieldStopSatisfied
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! init DAMASK (all modules)
|
! init DAMASK (all modules)
|
||||||
|
|
@ -227,8 +213,6 @@ program DAMASK_spectral
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! reading the load case and assign values to the allocated data structure
|
! reading the load case and assign values to the allocated data structure
|
||||||
yieldStop = .False.
|
|
||||||
yieldStopSatisfied = .False.
|
|
||||||
rewind(FILEUNIT)
|
rewind(FILEUNIT)
|
||||||
do
|
do
|
||||||
line = IO_read(FILEUNIT)
|
line = IO_read(FILEUNIT)
|
||||||
|
|
@ -303,30 +287,10 @@ program DAMASK_spectral
|
||||||
temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j)
|
temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j)
|
||||||
enddo
|
enddo
|
||||||
loadCases(currentLoadCase)%rotation = math_plain9to33(temp_valueVector)
|
loadCases(currentLoadCase)%rotation = math_plain9to33(temp_valueVector)
|
||||||
case('totalstrain')
|
|
||||||
yieldStop = .True.
|
|
||||||
stopFlag = 'totalStrain'
|
|
||||||
yieldStopValue = IO_floatValue(line,chunkPos,i+1_pInt)
|
|
||||||
case('plasticstrain')
|
|
||||||
yieldStop = .True.
|
|
||||||
stopFlag = 'plasticStrain'
|
|
||||||
yieldStopValue = IO_floatValue(line,chunkPos,i+1_pInt)
|
|
||||||
case('plasticwork')
|
|
||||||
yieldStop = .True.
|
|
||||||
stopFlag = 'plasticWork'
|
|
||||||
yieldStopValue = IO_floatValue(line,chunkPos,i+1_pInt)
|
|
||||||
end select
|
end select
|
||||||
enddo; enddo
|
enddo; enddo
|
||||||
close(FILEUNIT)
|
close(FILEUNIT)
|
||||||
|
|
||||||
if(yieldStop) then ! initialize variables related to yield stop
|
|
||||||
yieldStressNew = 0.0_pReal
|
|
||||||
plasticStrainNew = 0.0_pReal
|
|
||||||
eqStressNew = 0.0_pReal
|
|
||||||
eqTotalStrainNew = 0.0_pReal
|
|
||||||
eqPlasticStrainNew = 0.0_pReal
|
|
||||||
plasticWorkNew = 0.0_pReal
|
|
||||||
endif
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! consistency checks and output of load case
|
! consistency checks and output of load case
|
||||||
loadCases(1)%followFormerTrajectory = .false. ! cannot guess along trajectory for first inc of first currentLoadCase
|
loadCases(1)%followFormerTrajectory = .false. ! cannot guess along trajectory for first inc of first currentLoadCase
|
||||||
|
|
@ -443,7 +407,7 @@ program DAMASK_spectral
|
||||||
write(resUnit) 'times:', loadCases%time ! one entry per LoadCase
|
write(resUnit) 'times:', loadCases%time ! one entry per LoadCase
|
||||||
write(resUnit) 'logscales:', loadCases%logscale
|
write(resUnit) 'logscales:', loadCases%logscale
|
||||||
write(resUnit) 'increments:', loadCases%incs ! one entry per LoadCase
|
write(resUnit) 'increments:', loadCases%incs ! one entry per LoadCase
|
||||||
write(resUnit) 'startingIncrement:', restartInc - 1_pInt ! start with writing out the previous inc
|
write(resUnit) 'startingIncrement:', restartInc ! start with writing out the previous inc
|
||||||
write(resUnit) 'eoh'
|
write(resUnit) 'eoh'
|
||||||
close(resUnit) ! end of header
|
close(resUnit) ! end of header
|
||||||
open(newunit=statUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
|
open(newunit=statUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
|
||||||
|
|
@ -518,14 +482,13 @@ program DAMASK_spectral
|
||||||
timeinc = time0 * &
|
timeinc = time0 * &
|
||||||
( (1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc ,pReal)/&
|
( (1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc ,pReal)/&
|
||||||
real(loadCases(currentLoadCase)%incs ,pReal))&
|
real(loadCases(currentLoadCase)%incs ,pReal))&
|
||||||
-(1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( (inc-1_pInt),pReal)/&
|
-(1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc-1_pInt ,pReal)/&
|
||||||
real(loadCases(currentLoadCase)%incs ,pReal)))
|
real(loadCases(currentLoadCase)%incs ,pReal)))
|
||||||
endif
|
endif
|
||||||
endif
|
endif
|
||||||
|
timeinc = timeinc * real(subStepFactor,pReal)**real(-cutBackLevel,pReal) ! depending on cut back level, decrease time step
|
||||||
|
|
||||||
timeinc = timeinc / real(subStepFactor,pReal)**real(cutBackLevel,pReal) ! depending on cut back level, decrease time step
|
skipping: if (totalIncsCounter <= restartInc) then ! not yet at restart inc?
|
||||||
|
|
||||||
skipping: if (totalIncsCounter < restartInc) then ! not yet at restart inc?
|
|
||||||
time = time + timeinc ! just advance time, skip already performed calculation
|
time = time + timeinc ! just advance time, skip already performed calculation
|
||||||
guess = .true. ! QUESTION:why forced guessing instead of inheriting loadcase preference
|
guess = .true. ! QUESTION:why forced guessing instead of inheriting loadcase preference
|
||||||
else skipping
|
else skipping
|
||||||
|
|
@ -549,8 +512,11 @@ program DAMASK_spectral
|
||||||
's: Increment ', inc,'/',loadCases(currentLoadCase)%incs,&
|
's: Increment ', inc,'/',loadCases(currentLoadCase)%incs,&
|
||||||
'-', stepFraction,'/',subStepFactor**cutBackLevel,&
|
'-', stepFraction,'/',subStepFactor**cutBackLevel,&
|
||||||
' of load case ', currentLoadCase,'/',size(loadCases)
|
' of load case ', currentLoadCase,'/',size(loadCases)
|
||||||
write(incInfo,'(a,'//IO_intOut(totalIncsCounter)//',a,'//IO_intOut(sum(loadCases%incs))//&
|
write(incInfo,&
|
||||||
',a,'//IO_intOut(stepFraction)//',a,'//IO_intOut(subStepFactor**cutBackLevel)//')') &
|
'(a,'//IO_intOut(totalIncsCounter)//&
|
||||||
|
',a,'//IO_intOut(sum(loadCases%incs))//&
|
||||||
|
',a,'//IO_intOut(stepFraction)//&
|
||||||
|
',a,'//IO_intOut(subStepFactor**cutBackLevel)//')') &
|
||||||
'Increment ',totalIncsCounter,'/',sum(loadCases%incs),&
|
'Increment ',totalIncsCounter,'/',sum(loadCases%incs),&
|
||||||
'-', stepFraction,'/',subStepFactor**cutBackLevel
|
'-', stepFraction,'/',subStepFactor**cutBackLevel
|
||||||
flush(6)
|
flush(6)
|
||||||
|
|
@ -629,7 +595,6 @@ program DAMASK_spectral
|
||||||
stagIter = stagIter + 1_pInt
|
stagIter = stagIter + 1_pInt
|
||||||
stagIterate = stagIter < stagItMax &
|
stagIterate = stagIter < stagItMax &
|
||||||
.and. all(solres(:)%converged) &
|
.and. all(solres(:)%converged) &
|
||||||
|
|
||||||
.and. .not. all(solres(:)%stagConverged) ! stationary with respect to staggered iteration
|
.and. .not. all(solres(:)%stagConverged) ! stationary with respect to staggered iteration
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
|
|
@ -675,12 +640,10 @@ program DAMASK_spectral
|
||||||
endif; flush(6)
|
endif; flush(6)
|
||||||
|
|
||||||
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) then ! at output frequency
|
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) then ! at output frequency
|
||||||
if (worldrank == 0) &
|
|
||||||
write(6,'(1/,a)') ' ... writing results to file ......................................'
|
write(6,'(1/,a)') ' ... writing results to file ......................................'
|
||||||
flush(6)
|
flush(6)
|
||||||
call materialpoint_postResults()
|
call materialpoint_postResults()
|
||||||
call MPI_file_seek (resUnit,fileOffset,MPI_SEEK_SET,ierr)
|
call MPI_file_seek (resUnit,fileOffset,MPI_SEEK_SET,ierr)
|
||||||
|
|
||||||
if (ierr /= 0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_seek')
|
if (ierr /= 0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_seek')
|
||||||
do i=1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
|
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, &
|
outputIndex=int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, &
|
||||||
|
|
@ -699,84 +662,18 @@ program DAMASK_spectral
|
||||||
lastRestartWritten = inc ! QUESTION: first call to CPFEM_general will write?
|
lastRestartWritten = inc ! QUESTION: first call to CPFEM_general will write?
|
||||||
endif
|
endif
|
||||||
|
|
||||||
else forwarding
|
endif skipping
|
||||||
time = time + timeinc
|
|
||||||
guess = .true.
|
|
||||||
endif forwarding
|
|
||||||
|
|
||||||
yieldCheck: if(yieldStop) then ! check if it yields or satisfies the certain stop condition
|
|
||||||
yieldStressOld = yieldStressNew
|
|
||||||
plasticStrainOld = plasticStrainNew
|
|
||||||
eqStressOld = eqStressNew
|
|
||||||
eqTotalStrainOld = eqTotalStrainNew
|
|
||||||
eqPlasticStrainOld = eqPlasticStrainNew
|
|
||||||
plasticWorkOld = plasticWorkNew
|
|
||||||
|
|
||||||
call utilities_calcPlasticity(yieldStressNew, plasticStrainNew, eqStressNew, eqTotalStrainNew, &
|
|
||||||
eqPlasticStrainNew, plasticWorkNew, loadCases(currentLoadCase)%rotation)
|
|
||||||
|
|
||||||
if (worldrank == 0) then ! output the stress-strain curve to file if yield stop criterion is used
|
|
||||||
if ((currentLoadCase == 1_pInt) .and. (inc == 1_pInt)) then
|
|
||||||
open(newunit=stressstrainUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
|
|
||||||
'.stressstrain',form='FORMATTED',status='REPLACE')
|
|
||||||
write(stressstrainUnit,*) 0.0_pReal, 0.0_pReal
|
|
||||||
write(stressstrainUnit,*) eqTotalStrainNew, eqStressNew
|
|
||||||
close(stressstrainUnit)
|
|
||||||
else
|
|
||||||
open(newunit=stressstrainUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
|
|
||||||
'.stressstrain',form='FORMATTED', position='APPEND', status='OLD')
|
|
||||||
write(stressstrainUnit,*) eqTotalStrainNew, eqStressNew
|
|
||||||
close(stressstrainUnit)
|
|
||||||
endif
|
|
||||||
endif
|
|
||||||
|
|
||||||
if(stopFlag == 'totalStrain') then
|
|
||||||
if(eqTotalStrainNew > yieldStopValue) then
|
|
||||||
yieldStress = yieldStressOld * (eqTotalStrainNew - yieldStopValue)/(eqTotalStrainNew - eqTotalStrainOld) & ! linear interpolation of stress values
|
|
||||||
+ yieldStressNew * (yieldStopValue - eqTotalStrainOld)/(eqTotalStrainNew - eqTotalStrainOld)
|
|
||||||
plasticStrainRate = (plasticStrainNew - plasticStrainOld)/(time - time0) ! calculate plastic strain rate
|
|
||||||
yieldStopSatisfied = .True.
|
|
||||||
endif
|
|
||||||
elseif(stopFlag == 'plasticStrain') then
|
|
||||||
if(eqPlasticStrainNew > yieldStopValue) then
|
|
||||||
yieldStress = yieldStressOld * (eqPlasticStrainNew - yieldStopValue)/(eqPlasticStrainNew - eqPlasticStrainOld) &
|
|
||||||
+ yieldStressNew * (yieldStopValue - eqPlasticStrainOld)/(eqPlasticStrainNew - eqPlasticStrainOld)
|
|
||||||
plasticStrainRate = (plasticStrainNew - plasticStrainOld)/(time - time0)
|
|
||||||
yieldStopSatisfied = .True.
|
|
||||||
endif
|
|
||||||
elseif(stopFlag == 'plasticWork') then
|
|
||||||
if(plasticWorkNew > yieldStopValue) then
|
|
||||||
yieldStress = yieldStressOld * (plasticWorkNew - yieldStopValue)/(plasticWorkNew - plasticWorkOld) &
|
|
||||||
+ yieldStressNew * (yieldStopValue - plasticWorkOld)/(plasticWorkNew - plasticWorkOld)
|
|
||||||
plasticStrainRate = (plasticStrainNew - plasticStrainOld)/(time - time0)
|
|
||||||
yieldStopSatisfied = .True.
|
|
||||||
endif
|
|
||||||
endif
|
|
||||||
endif yieldCheck
|
|
||||||
|
|
||||||
if (yieldStopSatisfied) then ! when yield, write the yield stress and strain rate to file and quit the job
|
|
||||||
if (worldrank == 0) then
|
|
||||||
open(newunit=yieldResUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
|
|
||||||
'.yield',form='FORMATTED',status='REPLACE')
|
|
||||||
do i = 1_pInt,3_pInt
|
|
||||||
write(yieldResUnit,*) (yieldStress(i,j), j=1,3)
|
|
||||||
enddo
|
|
||||||
do i = 1_pInt,3_pInt
|
|
||||||
write(yieldResUnit,*) (plasticStrainRate(i,j), j=1,3)
|
|
||||||
enddo
|
|
||||||
close(yieldResUnit)
|
|
||||||
call quit(0_pInt)
|
|
||||||
endif
|
|
||||||
endif
|
|
||||||
|
|
||||||
enddo incLooping
|
enddo incLooping
|
||||||
|
|
||||||
enddo loadCaseLooping
|
enddo loadCaseLooping
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! report summary of whole calculation
|
! report summary of whole calculation
|
||||||
write(6,'(/,a)') ' ###########################################################################'
|
write(6,'(/,a)') ' ###########################################################################'
|
||||||
write(6,'(1x,i6.6,a,i6.6,a,f5.1,a)') convergedCounter, ' out of ', &
|
write(6,'(1x,'//IO_intOut(convergedCounter)//',a,'//IO_intOut(notConvergedCounter + convergedCounter)//',a,f5.1,a)') &
|
||||||
|
convergedCounter, ' out of ', &
|
||||||
notConvergedCounter + convergedCounter, ' (', &
|
notConvergedCounter + convergedCounter, ' (', &
|
||||||
real(convergedCounter, pReal)/&
|
real(convergedCounter, pReal)/&
|
||||||
real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, &
|
real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, &
|
||||||
|
|
|
||||||
|
|
@ -43,7 +43,7 @@ contains
|
||||||
!> solver the information is provided by the interface module
|
!> solver the information is provided by the interface module
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine FE_init
|
subroutine FE_init
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
@ -79,20 +79,22 @@ subroutine FE_init
|
||||||
#include "compilation_info.f90"
|
#include "compilation_info.f90"
|
||||||
|
|
||||||
modelName = getSolverJobName()
|
modelName = getSolverJobName()
|
||||||
|
|
||||||
|
#if defined(Spectral) || defined(FEM)
|
||||||
|
|
||||||
#ifdef Spectral
|
#ifdef Spectral
|
||||||
restartInc = spectralRestartInc
|
restartInc = spectralRestartInc
|
||||||
if(restartInc <= 0_pInt) then
|
#endif
|
||||||
call IO_warning(warning_ID=34_pInt)
|
#ifdef FEM
|
||||||
restartInc = 1_pInt
|
|
||||||
endif
|
|
||||||
restartRead = restartInc > 1_pInt ! only read in if "true" restart requested
|
|
||||||
#elif defined FEM
|
|
||||||
restartInc = FEMRestartInc
|
restartInc = FEMRestartInc
|
||||||
if(restartInc <= 0_pInt) then
|
#endif
|
||||||
|
|
||||||
|
if(restartInc < 0_pInt) then
|
||||||
call IO_warning(warning_ID=34_pInt)
|
call IO_warning(warning_ID=34_pInt)
|
||||||
restartInc = 1_pInt
|
restartInc = 0_pInt
|
||||||
endif
|
endif
|
||||||
restartRead = restartInc > 1_pInt
|
restartRead = restartInc > 0_pInt ! only read in if "true" restart requested
|
||||||
|
|
||||||
#else
|
#else
|
||||||
call IO_open_inputFile(FILEUNIT,modelName)
|
call IO_open_inputFile(FILEUNIT,modelName)
|
||||||
rewind(FILEUNIT)
|
rewind(FILEUNIT)
|
||||||
|
|
@ -131,13 +133,13 @@ subroutine FE_init
|
||||||
do
|
do
|
||||||
read (FILEUNIT,'(a1024)',END=200) line
|
read (FILEUNIT,'(a1024)',END=200) line
|
||||||
chunkPos = IO_stringPos(line)
|
chunkPos = IO_stringPos(line)
|
||||||
if ( IO_lc(IO_stringValue(line,chunkPos,1_pInt)) == 'restart' .and. &
|
if ( IO_lc(IO_stringValue(line,chunkPos,1_pInt)) == 'restart' &
|
||||||
IO_lc(IO_stringValue(line,chunkPos,2_pInt)) == 'file' .and. &
|
.and. IO_lc(IO_stringValue(line,chunkPos,2_pInt)) == 'file' &
|
||||||
IO_lc(IO_stringValue(line,chunkPos,3_pInt)) == 'job' .and. &
|
.and. IO_lc(IO_stringValue(line,chunkPos,3_pInt)) == 'job' &
|
||||||
IO_lc(IO_stringValue(line,chunkPos,4_pInt)) == 'id' ) &
|
.and. IO_lc(IO_stringValue(line,chunkPos,4_pInt)) == 'id' ) &
|
||||||
modelName = IO_StringValue(line,chunkPos,6_pInt)
|
modelName = IO_StringValue(line,chunkPos,6_pInt)
|
||||||
enddo
|
enddo
|
||||||
#else
|
#else ! QUESTION: is this meaningful for the spectral/FEM case?
|
||||||
call IO_open_inputFile(FILEUNIT,modelName)
|
call IO_open_inputFile(FILEUNIT,modelName)
|
||||||
rewind(FILEUNIT)
|
rewind(FILEUNIT)
|
||||||
do
|
do
|
||||||
|
|
|
||||||
|
|
@ -82,7 +82,7 @@ contains
|
||||||
!> @brief only outputs revision number
|
!> @brief only outputs revision number
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine IO_init
|
subroutine IO_init
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
@ -1268,11 +1268,11 @@ integer(pInt) function IO_countNumericalDataLines(fileUnit)
|
||||||
line = IO_read(fileUnit)
|
line = IO_read(fileUnit)
|
||||||
chunkPos = IO_stringPos(line)
|
chunkPos = IO_stringPos(line)
|
||||||
tmp = IO_lc(IO_stringValue(line,chunkPos,1_pInt))
|
tmp = IO_lc(IO_stringValue(line,chunkPos,1_pInt))
|
||||||
if (verify(trim(tmp) ,"0123456789")/=0) then ! found keyword
|
if (verify(trim(tmp),'0123456789') == 0) then ! numerical values
|
||||||
|
IO_countNumericalDataLines = IO_countNumericalDataLines + 1_pInt
|
||||||
|
else
|
||||||
line = IO_read(fileUnit, .true.) ! reset IO_read
|
line = IO_read(fileUnit, .true.) ! reset IO_read
|
||||||
exit
|
exit
|
||||||
else
|
|
||||||
IO_countNumericalDataLines = IO_countNumericalDataLines + 1_pInt
|
|
||||||
endif
|
endif
|
||||||
enddo
|
enddo
|
||||||
backspace(fileUnit)
|
backspace(fileUnit)
|
||||||
|
|
|
||||||
|
|
@ -1,8 +1,7 @@
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
write(6,*) 'Compiled with ', compiler_version() !not supported by and ifort <= 15 (and old gfortran)
|
write(6,*) 'Compiled with ', compiler_version()
|
||||||
write(6,*) 'With options ', compiler_options()
|
write(6,*) 'With options ', compiler_options()
|
||||||
#endif
|
#else
|
||||||
#ifdef __INTEL_COMPILER
|
|
||||||
write(6,'(a,i4.4,a,i8.8)') ' Compiled with Intel fortran version ', __INTEL_COMPILER,&
|
write(6,'(a,i4.4,a,i8.8)') ' Compiled with Intel fortran version ', __INTEL_COMPILER,&
|
||||||
', build date ', __INTEL_COMPILER_BUILD_DATE
|
', build date ', __INTEL_COMPILER_BUILD_DATE
|
||||||
#endif
|
#endif
|
||||||
|
|
|
||||||
|
|
@ -37,7 +37,7 @@ contains
|
||||||
!> @brief allocates arrays pointing to array of the various constitutive modules
|
!> @brief allocates arrays pointing to array of the various constitutive modules
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine constitutive_init()
|
subroutine constitutive_init()
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
@ -902,7 +902,8 @@ subroutine constitutive_collectDotState(Tstar_v, FeArray, FpArray, subdt, subfra
|
||||||
real(pReal), intent(in), dimension(6) :: &
|
real(pReal), intent(in), dimension(6) :: &
|
||||||
Tstar_v !< 2nd Piola Kirchhoff stress tensor (Mandel)
|
Tstar_v !< 2nd Piola Kirchhoff stress tensor (Mandel)
|
||||||
integer(pLongInt) :: &
|
integer(pLongInt) :: &
|
||||||
tick, tock, &
|
tick = 0_pLongInt, &
|
||||||
|
tock = 0_pLongInt, &
|
||||||
tickrate, &
|
tickrate, &
|
||||||
maxticks
|
maxticks
|
||||||
integer(pInt) :: &
|
integer(pInt) :: &
|
||||||
|
|
|
||||||
|
|
@ -55,14 +55,14 @@ module crystallite
|
||||||
crystallite_Li0, & !< intermediate velocitiy grad at start of FE inc
|
crystallite_Li0, & !< intermediate velocitiy grad at start of FE inc
|
||||||
crystallite_partionedLi0,& !< intermediate velocity grad at start of homog inc
|
crystallite_partionedLi0,& !< intermediate velocity grad at start of homog inc
|
||||||
crystallite_Fe, & !< current "elastic" def grad (end of converged time step)
|
crystallite_Fe, & !< current "elastic" def grad (end of converged time step)
|
||||||
crystallite_P, & !< 1st Piola-Kirchhoff stress per grain
|
crystallite_P !< 1st Piola-Kirchhoff stress per grain
|
||||||
crystallite_subF !< def grad to be reached at end of crystallite inc
|
|
||||||
real(pReal), dimension(:,:,:,:,:), allocatable, private :: &
|
real(pReal), dimension(:,:,:,:,:), allocatable, private :: &
|
||||||
crystallite_subFe0,& !< "elastic" def grad at start of crystallite inc
|
crystallite_subFe0,& !< "elastic" def grad at start of crystallite inc
|
||||||
crystallite_invFp, & !< inverse of current plastic def grad (end of converged time step)
|
crystallite_invFp, & !< inverse of current plastic def grad (end of converged time step)
|
||||||
crystallite_subFp0,& !< plastic def grad at start of crystallite inc
|
crystallite_subFp0,& !< plastic def grad at start of crystallite inc
|
||||||
crystallite_invFi, & !< inverse of current intermediate def grad (end of converged time step)
|
crystallite_invFi, & !< inverse of current intermediate def grad (end of converged time step)
|
||||||
crystallite_subFi0,& !< intermediate def grad at start of crystallite inc
|
crystallite_subFi0,& !< intermediate def grad at start of crystallite inc
|
||||||
|
crystallite_subF, & !< def grad to be reached at end of crystallite inc
|
||||||
crystallite_subF0, & !< def grad at start of crystallite inc
|
crystallite_subF0, & !< def grad at start of crystallite inc
|
||||||
crystallite_subLp0,& !< plastic velocity grad at start of crystallite inc
|
crystallite_subLp0,& !< plastic velocity grad at start of crystallite inc
|
||||||
crystallite_subLi0,& !< intermediate velocity grad at start of crystallite inc
|
crystallite_subLi0,& !< intermediate velocity grad at start of crystallite inc
|
||||||
|
|
@ -137,7 +137,7 @@ contains
|
||||||
!> @brief allocates and initialize per grain variables
|
!> @brief allocates and initialize per grain variables
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine crystallite_init
|
subroutine crystallite_init
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
@ -193,7 +193,7 @@ subroutine crystallite_init
|
||||||
c, & !< counter in integration point component loop
|
c, & !< counter in integration point component loop
|
||||||
i, & !< counter in integration point loop
|
i, & !< counter in integration point loop
|
||||||
e, & !< counter in element loop
|
e, & !< counter in element loop
|
||||||
o, & !< counter in output loop
|
o = 0_pInt, & !< counter in output loop
|
||||||
r, & !< counter in crystallite loop
|
r, & !< counter in crystallite loop
|
||||||
cMax, & !< maximum number of integration point components
|
cMax, & !< maximum number of integration point components
|
||||||
iMax, & !< maximum number of integration points
|
iMax, & !< maximum number of integration points
|
||||||
|
|
@ -1250,14 +1250,16 @@ subroutine crystallite_integrateStateRK4()
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
numerics_integrationMode
|
numerics_integrationMode
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
|
#ifdef DEBUG
|
||||||
|
debug_e, &
|
||||||
|
debug_i, &
|
||||||
|
debug_g, &
|
||||||
|
#endif
|
||||||
debug_level, &
|
debug_level, &
|
||||||
debug_crystallite, &
|
debug_crystallite, &
|
||||||
debug_levelBasic, &
|
debug_levelBasic, &
|
||||||
debug_levelExtensive, &
|
debug_levelExtensive, &
|
||||||
debug_levelSelective, &
|
debug_levelSelective, &
|
||||||
debug_e, &
|
|
||||||
debug_i, &
|
|
||||||
debug_g, &
|
|
||||||
debug_StateLoopDistribution
|
debug_StateLoopDistribution
|
||||||
use FEsolving, only: &
|
use FEsolving, only: &
|
||||||
FEsolving_execElem, &
|
FEsolving_execElem, &
|
||||||
|
|
@ -1544,14 +1546,16 @@ subroutine crystallite_integrateStateRKCK45()
|
||||||
use, intrinsic :: &
|
use, intrinsic :: &
|
||||||
IEEE_arithmetic
|
IEEE_arithmetic
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
|
#ifdef DEBUG
|
||||||
|
debug_e, &
|
||||||
|
debug_i, &
|
||||||
|
debug_g, &
|
||||||
|
#endif
|
||||||
debug_level, &
|
debug_level, &
|
||||||
debug_crystallite, &
|
debug_crystallite, &
|
||||||
debug_levelBasic, &
|
debug_levelBasic, &
|
||||||
debug_levelExtensive, &
|
debug_levelExtensive, &
|
||||||
debug_levelSelective, &
|
debug_levelSelective, &
|
||||||
debug_e, &
|
|
||||||
debug_i, &
|
|
||||||
debug_g, &
|
|
||||||
debug_StateLoopDistribution
|
debug_StateLoopDistribution
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
rTol_crystalliteState, &
|
rTol_crystalliteState, &
|
||||||
|
|
@ -2047,14 +2051,16 @@ subroutine crystallite_integrateStateAdaptiveEuler()
|
||||||
use, intrinsic :: &
|
use, intrinsic :: &
|
||||||
IEEE_arithmetic
|
IEEE_arithmetic
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
|
#ifdef DEBUG
|
||||||
|
debug_e, &
|
||||||
|
debug_i, &
|
||||||
|
debug_g, &
|
||||||
|
#endif
|
||||||
debug_level, &
|
debug_level, &
|
||||||
debug_crystallite, &
|
debug_crystallite, &
|
||||||
debug_levelBasic, &
|
debug_levelBasic, &
|
||||||
debug_levelExtensive, &
|
debug_levelExtensive, &
|
||||||
debug_levelSelective, &
|
debug_levelSelective, &
|
||||||
debug_e, &
|
|
||||||
debug_i, &
|
|
||||||
debug_g, &
|
|
||||||
debug_StateLoopDistribution
|
debug_StateLoopDistribution
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
rTol_crystalliteState, &
|
rTol_crystalliteState, &
|
||||||
|
|
@ -2407,14 +2413,16 @@ subroutine crystallite_integrateStateEuler()
|
||||||
use, intrinsic :: &
|
use, intrinsic :: &
|
||||||
IEEE_arithmetic
|
IEEE_arithmetic
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
|
#ifdef DEBUG
|
||||||
|
debug_e, &
|
||||||
|
debug_i, &
|
||||||
|
debug_g, &
|
||||||
|
#endif
|
||||||
debug_level, &
|
debug_level, &
|
||||||
debug_crystallite, &
|
debug_crystallite, &
|
||||||
debug_levelBasic, &
|
debug_levelBasic, &
|
||||||
debug_levelExtensive, &
|
debug_levelExtensive, &
|
||||||
debug_levelSelective, &
|
debug_levelSelective, &
|
||||||
debug_e, &
|
|
||||||
debug_i, &
|
|
||||||
debug_g, &
|
|
||||||
debug_StateLoopDistribution
|
debug_StateLoopDistribution
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
numerics_integrationMode, &
|
numerics_integrationMode, &
|
||||||
|
|
@ -2630,9 +2638,11 @@ subroutine crystallite_integrateStateFPI()
|
||||||
use, intrinsic :: &
|
use, intrinsic :: &
|
||||||
IEEE_arithmetic
|
IEEE_arithmetic
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
|
#ifdef DEBUG
|
||||||
debug_e, &
|
debug_e, &
|
||||||
debug_i, &
|
debug_i, &
|
||||||
debug_g, &
|
debug_g, &
|
||||||
|
#endif
|
||||||
debug_level,&
|
debug_level,&
|
||||||
debug_crystallite, &
|
debug_crystallite, &
|
||||||
debug_levelBasic, &
|
debug_levelBasic, &
|
||||||
|
|
@ -3094,14 +3104,16 @@ logical function crystallite_stateJump(ipc,ip,el)
|
||||||
IEEE_arithmetic
|
IEEE_arithmetic
|
||||||
use prec, only: &
|
use prec, only: &
|
||||||
dNeq0
|
dNeq0
|
||||||
|
#ifdef DEBUG
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
|
debug_e, &
|
||||||
|
debug_i, &
|
||||||
|
debug_g, &
|
||||||
debug_level, &
|
debug_level, &
|
||||||
debug_crystallite, &
|
debug_crystallite, &
|
||||||
debug_levelExtensive, &
|
debug_levelExtensive, &
|
||||||
debug_levelSelective, &
|
debug_levelSelective
|
||||||
debug_e, &
|
#endif
|
||||||
debug_i, &
|
|
||||||
debug_g
|
|
||||||
use material, only: &
|
use material, only: &
|
||||||
plasticState, &
|
plasticState, &
|
||||||
sourceState, &
|
sourceState, &
|
||||||
|
|
@ -3231,9 +3243,11 @@ logical function crystallite_integrateStress(&
|
||||||
debug_levelBasic, &
|
debug_levelBasic, &
|
||||||
debug_levelExtensive, &
|
debug_levelExtensive, &
|
||||||
debug_levelSelective, &
|
debug_levelSelective, &
|
||||||
|
#ifdef DEBUG
|
||||||
debug_e, &
|
debug_e, &
|
||||||
debug_i, &
|
debug_i, &
|
||||||
debug_g, &
|
debug_g, &
|
||||||
|
#endif
|
||||||
debug_cumLpCalls, &
|
debug_cumLpCalls, &
|
||||||
debug_cumLpTicks, &
|
debug_cumLpTicks, &
|
||||||
debug_StressLoopLpDistribution, &
|
debug_StressLoopLpDistribution, &
|
||||||
|
|
@ -3259,7 +3273,9 @@ logical function crystallite_integrateStress(&
|
||||||
math_Plain33to9, &
|
math_Plain33to9, &
|
||||||
math_Plain9to33, &
|
math_Plain9to33, &
|
||||||
math_Plain99to3333
|
math_Plain99to3333
|
||||||
|
#ifdef DEBUG
|
||||||
use mesh, only: mesh_element
|
use mesh, only: mesh_element
|
||||||
|
#endif
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
integer(pInt), intent(in):: el, & ! element index
|
integer(pInt), intent(in):: el, & ! element index
|
||||||
|
|
@ -3323,8 +3339,8 @@ logical function crystallite_integrateStress(&
|
||||||
p, &
|
p, &
|
||||||
jacoCounterLp, &
|
jacoCounterLp, &
|
||||||
jacoCounterLi ! counters to check for Jacobian update
|
jacoCounterLi ! counters to check for Jacobian update
|
||||||
integer(pLongInt) tick, &
|
integer(pLongInt) :: tick = 0_pLongInt, &
|
||||||
tock, &
|
tock = 0_pLongInt, &
|
||||||
tickrate, &
|
tickrate, &
|
||||||
maxticks
|
maxticks
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -41,7 +41,7 @@ contains
|
||||||
!> @brief allocates all neccessary fields, reads information from material configuration file
|
!> @brief allocates all neccessary fields, reads information from material configuration file
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine damage_local_init(fileUnit)
|
subroutine damage_local_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -16,7 +16,7 @@ contains
|
||||||
!> @brief allocates all neccessary fields, reads information from material configuration file
|
!> @brief allocates all neccessary fields, reads information from material configuration file
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine damage_none_init()
|
subroutine damage_none_init()
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -46,7 +46,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine damage_nonlocal_init(fileUnit)
|
subroutine damage_nonlocal_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -102,7 +102,7 @@ contains
|
||||||
!> @brief reads in parameters from debug.config and allocates arrays
|
!> @brief reads in parameters from debug.config and allocates arrays
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine debug_init
|
subroutine debug_init
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -71,7 +71,7 @@ contains
|
||||||
!> @brief module initialization
|
!> @brief module initialization
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine homogenization_init
|
subroutine homogenization_init
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -72,7 +72,7 @@ contains
|
||||||
!> @brief allocates all neccessary fields, reads information from material configuration file
|
!> @brief allocates all neccessary fields, reads information from material configuration file
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine homogenization_RGC_init(fileUnit)
|
subroutine homogenization_RGC_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -49,7 +49,7 @@ contains
|
||||||
!> @brief allocates all neccessary fields, reads information from material configuration file
|
!> @brief allocates all neccessary fields, reads information from material configuration file
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine homogenization_isostrain_init(fileUnit)
|
subroutine homogenization_isostrain_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -18,7 +18,7 @@ contains
|
||||||
!> @brief allocates all neccessary fields, reads information from material configuration file
|
!> @brief allocates all neccessary fields, reads information from material configuration file
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine homogenization_none_init()
|
subroutine homogenization_none_init()
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -51,7 +51,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine hydrogenflux_cahnhilliard_init(fileUnit)
|
subroutine hydrogenflux_cahnhilliard_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -16,7 +16,7 @@ contains
|
||||||
!> @brief allocates all neccessary fields, reads information from material configuration file
|
!> @brief allocates all neccessary fields, reads information from material configuration file
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine hydrogenflux_isoconc_init()
|
subroutine hydrogenflux_isoconc_init()
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -51,7 +51,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine kinematics_cleavage_opening_init(fileUnit)
|
subroutine kinematics_cleavage_opening_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -41,7 +41,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine kinematics_hydrogen_strain_init(fileUnit)
|
subroutine kinematics_hydrogen_strain_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -51,7 +51,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine kinematics_slipplane_opening_init(fileUnit)
|
subroutine kinematics_slipplane_opening_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -41,7 +41,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine kinematics_thermal_expansion_init(fileUnit)
|
subroutine kinematics_thermal_expansion_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
@ -174,8 +174,12 @@ pure function kinematics_thermal_expansion_initialStrain(ipc, ip, el)
|
||||||
offset = thermalMapping(homog)%p(ip,el)
|
offset = thermalMapping(homog)%p(ip,el)
|
||||||
|
|
||||||
kinematics_thermal_expansion_initialStrain = &
|
kinematics_thermal_expansion_initialStrain = &
|
||||||
(temperature(homog)%p(offset) - lattice_referenceTemperature(phase)) * &
|
(temperature(homog)%p(offset) - lattice_referenceTemperature(phase))**1 / 1. * &
|
||||||
lattice_thermalExpansion33(1:3,1:3,phase)
|
lattice_thermalExpansion33(1:3,1:3,1,phase) + & ! constant coefficient
|
||||||
|
(temperature(homog)%p(offset) - lattice_referenceTemperature(phase))**2 / 2. * &
|
||||||
|
lattice_thermalExpansion33(1:3,1:3,2,phase) + & ! linear coefficient
|
||||||
|
(temperature(homog)%p(offset) - lattice_referenceTemperature(phase))**3 / 3. * &
|
||||||
|
lattice_thermalExpansion33(1:3,1:3,3,phase) ! quadratic coefficient
|
||||||
|
|
||||||
end function kinematics_thermal_expansion_initialStrain
|
end function kinematics_thermal_expansion_initialStrain
|
||||||
|
|
||||||
|
|
@ -215,9 +219,16 @@ subroutine kinematics_thermal_expansion_LiAndItsTangent(Li, dLi_dTstar3333, ipc,
|
||||||
TDot = temperatureRate(homog)%p(offset)
|
TDot = temperatureRate(homog)%p(offset)
|
||||||
TRef = lattice_referenceTemperature(phase)
|
TRef = lattice_referenceTemperature(phase)
|
||||||
|
|
||||||
Li = TDot* &
|
Li = TDot * ( &
|
||||||
lattice_thermalExpansion33(1:3,1:3,phase)/ &
|
lattice_thermalExpansion33(1:3,1:3,1,phase)*(T - TRef)**0 & ! constant coefficient
|
||||||
(1.0_pReal + lattice_thermalExpansion33(1:3,1:3,phase)*(T - TRef))
|
+ lattice_thermalExpansion33(1:3,1:3,2,phase)*(T - TRef)**1 & ! linear coefficient
|
||||||
|
+ lattice_thermalExpansion33(1:3,1:3,3,phase)*(T - TRef)**2 & ! quadratic coefficient
|
||||||
|
) / &
|
||||||
|
(1.0_pReal \
|
||||||
|
+ lattice_thermalExpansion33(1:3,1:3,1,phase)*(T - TRef)**1 / 1. &
|
||||||
|
+ lattice_thermalExpansion33(1:3,1:3,2,phase)*(T - TRef)**2 / 2. &
|
||||||
|
+ lattice_thermalExpansion33(1:3,1:3,3,phase)*(T - TRef)**3 / 3. &
|
||||||
|
)
|
||||||
dLi_dTstar3333 = 0.0_pReal
|
dLi_dTstar3333 = 0.0_pReal
|
||||||
|
|
||||||
end subroutine kinematics_thermal_expansion_LiAndItsTangent
|
end subroutine kinematics_thermal_expansion_LiAndItsTangent
|
||||||
|
|
|
||||||
|
|
@ -41,7 +41,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine kinematics_vacancy_strain_init(fileUnit)
|
subroutine kinematics_vacancy_strain_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -1082,9 +1082,10 @@ module lattice
|
||||||
lattice_nu, &
|
lattice_nu, &
|
||||||
lattice_trans_mu, &
|
lattice_trans_mu, &
|
||||||
lattice_trans_nu
|
lattice_trans_nu
|
||||||
|
real(pReal), dimension(:,:,:,:), allocatable, public, protected :: & ! with higher-order parameters (e.g. temperature-dependent)
|
||||||
|
lattice_thermalExpansion33
|
||||||
real(pReal), dimension(:,:,:), allocatable, public, protected :: &
|
real(pReal), dimension(:,:,:), allocatable, public, protected :: &
|
||||||
lattice_thermalConductivity33, &
|
lattice_thermalConductivity33, &
|
||||||
lattice_thermalExpansion33, &
|
|
||||||
lattice_damageDiffusion33, &
|
lattice_damageDiffusion33, &
|
||||||
lattice_vacancyfluxDiffusion33, &
|
lattice_vacancyfluxDiffusion33, &
|
||||||
lattice_vacancyfluxMobility33, &
|
lattice_vacancyfluxMobility33, &
|
||||||
|
|
@ -1243,7 +1244,7 @@ contains
|
||||||
!> @brief Module initialization
|
!> @brief Module initialization
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine lattice_init
|
subroutine lattice_init
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
@ -1380,8 +1381,8 @@ subroutine lattice_init
|
||||||
allocate(lattice_C3333(3,3,3,3,Nphases), source=0.0_pReal)
|
allocate(lattice_C3333(3,3,3,3,Nphases), source=0.0_pReal)
|
||||||
allocate(lattice_trans_C66(6,6,Nphases), source=0.0_pReal)
|
allocate(lattice_trans_C66(6,6,Nphases), source=0.0_pReal)
|
||||||
allocate(lattice_trans_C3333(3,3,3,3,Nphases), source=0.0_pReal)
|
allocate(lattice_trans_C3333(3,3,3,3,Nphases), source=0.0_pReal)
|
||||||
|
allocate(lattice_thermalExpansion33 (3,3,3,Nphases), source=0.0_pReal) ! constant, linear, quadratic coefficients
|
||||||
allocate(lattice_thermalConductivity33 (3,3,Nphases), source=0.0_pReal)
|
allocate(lattice_thermalConductivity33 (3,3,Nphases), source=0.0_pReal)
|
||||||
allocate(lattice_thermalExpansion33 (3,3,Nphases), source=0.0_pReal)
|
|
||||||
allocate(lattice_damageDiffusion33 (3,3,Nphases), source=0.0_pReal)
|
allocate(lattice_damageDiffusion33 (3,3,Nphases), source=0.0_pReal)
|
||||||
allocate(lattice_vacancyfluxDiffusion33 (3,3,Nphases), source=0.0_pReal)
|
allocate(lattice_vacancyfluxDiffusion33 (3,3,Nphases), source=0.0_pReal)
|
||||||
allocate(lattice_vacancyfluxMobility33 (3,3,Nphases), source=0.0_pReal)
|
allocate(lattice_vacancyfluxMobility33 (3,3,Nphases), source=0.0_pReal)
|
||||||
|
|
@ -1545,11 +1546,17 @@ subroutine lattice_init
|
||||||
case ('thermal_conductivity33')
|
case ('thermal_conductivity33')
|
||||||
lattice_thermalConductivity33(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
|
lattice_thermalConductivity33(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
|
||||||
case ('thermal_expansion11')
|
case ('thermal_expansion11')
|
||||||
lattice_thermalExpansion33(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
|
do i = 2_pInt, min(4,chunkPos(1)) ! read up to three parameters (constant, linear, quadratic with T)
|
||||||
|
lattice_thermalExpansion33(1,1,i-1_pInt,section) = IO_floatValue(line,chunkPos,i)
|
||||||
|
enddo
|
||||||
case ('thermal_expansion22')
|
case ('thermal_expansion22')
|
||||||
lattice_thermalExpansion33(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
|
do i = 2_pInt, min(4,chunkPos(1)) ! read up to three parameters (constant, linear, quadratic with T)
|
||||||
|
lattice_thermalExpansion33(2,2,i-1_pInt,section) = IO_floatValue(line,chunkPos,i)
|
||||||
|
enddo
|
||||||
case ('thermal_expansion33')
|
case ('thermal_expansion33')
|
||||||
lattice_thermalExpansion33(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
|
do i = 2_pInt, min(4,chunkPos(1)) ! read up to three parameters (constant, linear, quadratic with T)
|
||||||
|
lattice_thermalExpansion33(3,3,i-1_pInt,section) = IO_floatValue(line,chunkPos,i)
|
||||||
|
enddo
|
||||||
case ('specific_heat')
|
case ('specific_heat')
|
||||||
lattice_specificHeat(section) = IO_floatValue(line,chunkPos,2_pInt)
|
lattice_specificHeat(section) = IO_floatValue(line,chunkPos,2_pInt)
|
||||||
case ('vacancyformationenergy')
|
case ('vacancyformationenergy')
|
||||||
|
|
@ -1756,10 +1763,12 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
|
||||||
end select
|
end select
|
||||||
end select
|
end select
|
||||||
|
|
||||||
|
forall (i = 1_pInt:3_pInt) &
|
||||||
|
lattice_thermalExpansion33 (1:3,1:3,i,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
|
||||||
|
lattice_thermalExpansion33 (1:3,1:3,i,myPhase))
|
||||||
|
|
||||||
lattice_thermalConductivity33 (1:3,1:3,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
|
lattice_thermalConductivity33 (1:3,1:3,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
|
||||||
lattice_thermalConductivity33 (1:3,1:3,myPhase))
|
lattice_thermalConductivity33 (1:3,1:3,myPhase))
|
||||||
lattice_thermalExpansion33(1:3,1:3,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
|
|
||||||
lattice_thermalExpansion33(1:3,1:3,myPhase))
|
|
||||||
lattice_DamageDiffusion33 (1:3,1:3,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
|
lattice_DamageDiffusion33 (1:3,1:3,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
|
||||||
lattice_DamageDiffusion33 (1:3,1:3,myPhase))
|
lattice_DamageDiffusion33 (1:3,1:3,myPhase))
|
||||||
lattice_vacancyfluxDiffusion33 (1:3,1:3,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
|
lattice_vacancyfluxDiffusion33 (1:3,1:3,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
|
||||||
|
|
|
||||||
|
|
@ -364,7 +364,7 @@ contains
|
||||||
!> material.config
|
!> material.config
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine material_init()
|
subroutine material_init()
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
35
src/math.f90
35
src/math.f90
|
|
@ -174,7 +174,7 @@ contains
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine math_init
|
subroutine math_init
|
||||||
|
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
@ -1743,13 +1743,12 @@ real(pReal) pure function math_EulerMisorientation(EulerA,EulerB)
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
real(pReal), dimension(3), intent(in) :: EulerA,EulerB
|
real(pReal), dimension(3), intent(in) :: EulerA,EulerB
|
||||||
real(pReal), dimension(3,3) :: r
|
real(pReal) :: cosTheta
|
||||||
real(pReal) :: tr
|
|
||||||
|
|
||||||
r = math_mul33x33(math_EulerToR(EulerB),transpose(math_EulerToR(EulerA)))
|
cosTheta = (math_trace33(math_mul33x33(math_EulerToR(EulerB), &
|
||||||
|
transpose(math_EulerToR(EulerA)))) - 1.0_pReal) * 0.5_pReal
|
||||||
|
|
||||||
tr = (math_trace33(r)-1.0_pReal)*0.4999999_pReal
|
math_EulerMisorientation = acos(math_limit(cosTheta,-1.0_pReal,1.0_pReal))
|
||||||
math_EulerMisorientation = abs(0.5_pReal*PI-asin(tr))
|
|
||||||
|
|
||||||
end function math_EulerMisorientation
|
end function math_EulerMisorientation
|
||||||
|
|
||||||
|
|
@ -1782,15 +1781,12 @@ function math_sampleGaussOri(center,noise)
|
||||||
real(pReal), dimension(3), intent(in) :: center
|
real(pReal), dimension(3), intent(in) :: center
|
||||||
real(pReal) :: cosScatter,scatter
|
real(pReal) :: cosScatter,scatter
|
||||||
real(pReal), dimension(3) :: math_sampleGaussOri, disturb
|
real(pReal), dimension(3) :: math_sampleGaussOri, disturb
|
||||||
real(pReal), dimension(3), parameter :: ORIGIN = [0.0_pReal,0.0_pReal,0.0_pReal]
|
real(pReal), dimension(3), parameter :: ORIGIN = 0.0_pReal
|
||||||
real(pReal), dimension(5) :: rnd
|
real(pReal), dimension(5) :: rnd
|
||||||
integer(pInt) :: i
|
|
||||||
|
|
||||||
if (abs(noise) < tol_math_check) then
|
noScatter: if (abs(noise) < tol_math_check) then
|
||||||
math_sampleGaussOri = center
|
math_sampleGaussOri = center
|
||||||
return
|
else noScatter
|
||||||
endif
|
|
||||||
|
|
||||||
! Helming uses different distribution with Bessel functions
|
! Helming uses different distribution with Bessel functions
|
||||||
! therefore the gauss scatter width has to be scaled differently
|
! therefore the gauss scatter width has to be scaled differently
|
||||||
scatter = 0.95_pReal * noise
|
scatter = 0.95_pReal * noise
|
||||||
|
|
@ -1798,14 +1794,15 @@ function math_sampleGaussOri(center,noise)
|
||||||
|
|
||||||
do
|
do
|
||||||
call halton(5_pInt,rnd)
|
call halton(5_pInt,rnd)
|
||||||
forall (i=1_pInt:3_pInt) rnd(i) = 2.0_pReal*rnd(i)-1.0_pReal ! expand 1:3 to range [-1,+1]
|
rnd(1:3) = 2.0_pReal*rnd(1:3)-1.0_pReal ! expand 1:3 to range [-1,+1]
|
||||||
disturb = [ scatter * rnd(1), & ! phi1
|
disturb = [ scatter * rnd(1), & ! phi1
|
||||||
sign(1.0_pReal,rnd(2))*acos(cosScatter+(1.0_pReal-cosScatter)*rnd(4)), & ! Phi
|
sign(1.0_pReal,rnd(2))*acos(cosScatter+(1.0_pReal-cosScatter)*rnd(4)), & ! Phi
|
||||||
scatter * rnd(2)] ! phi2
|
scatter * rnd(3)] ! phi2
|
||||||
if (rnd(5) <= exp(-1.0_pReal*(math_EulerMisorientation(ORIGIN,disturb)/scatter)**2_pReal)) exit
|
if (rnd(5) <= exp(-1.0_pReal*(math_EulerMisorientation(ORIGIN,disturb)/scatter)**2_pReal)) exit
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
math_sampleGaussOri = math_RtoEuler(math_mul33x33(math_EulerToR(disturb),math_EulerToR(center)))
|
math_sampleGaussOri = math_RtoEuler(math_mul33x33(math_EulerToR(disturb),math_EulerToR(center)))
|
||||||
|
endif noScatter
|
||||||
|
|
||||||
end function math_sampleGaussOri
|
end function math_sampleGaussOri
|
||||||
|
|
||||||
|
|
@ -2759,8 +2756,7 @@ pure function math_rotate_forward33(tensor,rot_tensor)
|
||||||
real(pReal), dimension(3,3) :: math_rotate_forward33
|
real(pReal), dimension(3,3) :: math_rotate_forward33
|
||||||
real(pReal), dimension(3,3), intent(in) :: tensor, rot_tensor
|
real(pReal), dimension(3,3), intent(in) :: tensor, rot_tensor
|
||||||
|
|
||||||
math_rotate_forward33 = math_mul33x33(rot_tensor,&
|
math_rotate_forward33 = math_mul33x33(rot_tensor,math_mul33x33(tensor,transpose(rot_tensor)))
|
||||||
math_mul33x33(tensor,math_transpose33(rot_tensor)))
|
|
||||||
|
|
||||||
end function math_rotate_forward33
|
end function math_rotate_forward33
|
||||||
|
|
||||||
|
|
@ -2774,8 +2770,7 @@ pure function math_rotate_backward33(tensor,rot_tensor)
|
||||||
real(pReal), dimension(3,3) :: math_rotate_backward33
|
real(pReal), dimension(3,3) :: math_rotate_backward33
|
||||||
real(pReal), dimension(3,3), intent(in) :: tensor, rot_tensor
|
real(pReal), dimension(3,3), intent(in) :: tensor, rot_tensor
|
||||||
|
|
||||||
math_rotate_backward33 = math_mul33x33(math_transpose33(rot_tensor),&
|
math_rotate_backward33 = math_mul33x33(transpose(rot_tensor),math_mul33x33(tensor,rot_tensor))
|
||||||
math_mul33x33(tensor,rot_tensor))
|
|
||||||
|
|
||||||
end function math_rotate_backward33
|
end function math_rotate_backward33
|
||||||
|
|
||||||
|
|
@ -2796,8 +2791,8 @@ pure function math_rotate_forward3333(tensor,rot_tensor)
|
||||||
do i = 1_pInt,3_pInt; do j = 1_pInt,3_pInt; do k = 1_pInt,3_pInt; do l = 1_pInt,3_pInt
|
do i = 1_pInt,3_pInt; do j = 1_pInt,3_pInt; do k = 1_pInt,3_pInt; do l = 1_pInt,3_pInt
|
||||||
do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt; do p = 1_pInt,3_pInt
|
do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt; do p = 1_pInt,3_pInt
|
||||||
math_rotate_forward3333(i,j,k,l) = math_rotate_forward3333(i,j,k,l) &
|
math_rotate_forward3333(i,j,k,l) = math_rotate_forward3333(i,j,k,l) &
|
||||||
+ rot_tensor(m,i) * rot_tensor(n,j) &
|
+ rot_tensor(i,m) * rot_tensor(j,n) &
|
||||||
* rot_tensor(o,k) * rot_tensor(p,l) * tensor(m,n,o,p)
|
* rot_tensor(k,o) * rot_tensor(l,p) * tensor(m,n,o,p)
|
||||||
enddo; enddo; enddo; enddo; enddo; enddo; enddo; enddo
|
enddo; enddo; enddo; enddo; enddo; enddo; enddo; enddo
|
||||||
|
|
||||||
end function math_rotate_forward3333
|
end function math_rotate_forward3333
|
||||||
|
|
|
||||||
64
src/mesh.f90
64
src/mesh.f90
|
|
@ -379,30 +379,30 @@ module mesh
|
||||||
],pInt)
|
],pInt)
|
||||||
|
|
||||||
|
|
||||||
integer(pInt), dimension(FE_Nelemtypes), parameter, private :: MESH_VTKELEMTYPE = &
|
! integer(pInt), dimension(FE_Nelemtypes), parameter, private :: MESH_VTKELEMTYPE = &
|
||||||
int([ &
|
! int([ &
|
||||||
5, & ! element 6 (2D 3node 1ip)
|
! 5, & ! element 6 (2D 3node 1ip)
|
||||||
22, & ! element 125 (2D 6node 3ip)
|
! 22, & ! element 125 (2D 6node 3ip)
|
||||||
9, & ! element 11 (2D 4node 4ip)
|
! 9, & ! element 11 (2D 4node 4ip)
|
||||||
23, & ! element 27 (2D 8node 9ip)
|
! 23, & ! element 27 (2D 8node 9ip)
|
||||||
23, & ! element 54 (2D 8node 4ip)
|
! 23, & ! element 54 (2D 8node 4ip)
|
||||||
10, & ! element 134 (3D 4node 1ip)
|
! 10, & ! element 134 (3D 4node 1ip)
|
||||||
10, & ! element 157 (3D 5node 4ip)
|
! 10, & ! element 157 (3D 5node 4ip)
|
||||||
24, & ! element 127 (3D 10node 4ip)
|
! 24, & ! element 127 (3D 10node 4ip)
|
||||||
13, & ! element 136 (3D 6node 6ip)
|
! 13, & ! element 136 (3D 6node 6ip)
|
||||||
12, & ! element 117 (3D 8node 1ip)
|
! 12, & ! element 117 (3D 8node 1ip)
|
||||||
12, & ! element 7 (3D 8node 8ip)
|
! 12, & ! element 7 (3D 8node 8ip)
|
||||||
25, & ! element 57 (3D 20node 8ip)
|
! 25, & ! element 57 (3D 20node 8ip)
|
||||||
25 & ! element 21 (3D 20node 27ip)
|
! 25 & ! element 21 (3D 20node 27ip)
|
||||||
],pInt)
|
! ],pInt)
|
||||||
|
!
|
||||||
integer(pInt), dimension(FE_Ncelltypes), parameter, private :: MESH_VTKCELLTYPE = &
|
! integer(pInt), dimension(FE_Ncelltypes), parameter, private :: MESH_VTKCELLTYPE = &
|
||||||
int([ &
|
! int([ &
|
||||||
5, & ! (2D 3node)
|
! 5, & ! (2D 3node)
|
||||||
9, & ! (2D 4node)
|
! 9, & ! (2D 4node)
|
||||||
10, & ! (3D 4node)
|
! 10, & ! (3D 4node)
|
||||||
12 & ! (3D 8node)
|
! 12 & ! (3D 8node)
|
||||||
],pInt)
|
! ],pInt)
|
||||||
|
|
||||||
|
|
||||||
public :: &
|
public :: &
|
||||||
|
|
@ -477,7 +477,7 @@ contains
|
||||||
!! Order and routines strongly depend on type of solver
|
!! Order and routines strongly depend on type of solver
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine mesh_init(ip,el)
|
subroutine mesh_init(ip,el)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
@ -2848,16 +2848,18 @@ use IO, only: &
|
||||||
implicit none
|
implicit none
|
||||||
integer(pInt), intent(in) :: fileUnit
|
integer(pInt), intent(in) :: fileUnit
|
||||||
|
|
||||||
#ifndef Spectral
|
#ifdef Spectral
|
||||||
|
mesh_periodicSurface = .true.
|
||||||
|
|
||||||
|
end subroutine mesh_get_damaskOptions
|
||||||
|
|
||||||
|
#else
|
||||||
|
|
||||||
integer(pInt), allocatable, dimension(:) :: chunkPos
|
integer(pInt), allocatable, dimension(:) :: chunkPos
|
||||||
integer(pInt) chunk, Nchunks
|
integer(pInt) chunk, Nchunks
|
||||||
character(len=300) :: line, damaskOption, v
|
character(len=300) :: line, damaskOption, v
|
||||||
character(len=300) :: keyword
|
character(len=300) :: keyword
|
||||||
#endif
|
|
||||||
|
|
||||||
#ifdef Spectral
|
|
||||||
mesh_periodicSurface = .true.
|
|
||||||
#else
|
|
||||||
mesh_periodicSurface = .false.
|
mesh_periodicSurface = .false.
|
||||||
#ifdef Marc4DAMASK
|
#ifdef Marc4DAMASK
|
||||||
keyword = '$damask'
|
keyword = '$damask'
|
||||||
|
|
@ -2886,9 +2888,9 @@ use IO, only: &
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
610 FORMAT(A300)
|
610 FORMAT(A300)
|
||||||
#endif
|
|
||||||
|
|
||||||
620 end subroutine mesh_get_damaskOptions
|
620 end subroutine mesh_get_damaskOptions
|
||||||
|
#endif
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
|
||||||
|
|
@ -198,7 +198,7 @@ contains
|
||||||
! a sanity check
|
! a sanity check
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine numerics_init
|
subroutine numerics_init
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -119,7 +119,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine plastic_disloUCLA_init(fileUnit)
|
subroutine plastic_disloUCLA_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -198,7 +198,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine plastic_dislotwin_init(fileUnit)
|
subroutine plastic_dislotwin_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -90,7 +90,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine plastic_isotropic_init(fileUnit)
|
subroutine plastic_isotropic_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -26,7 +26,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine plastic_none_init
|
subroutine plastic_none_init
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -123,7 +123,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine plastic_phenopowerlaw_init(fileUnit)
|
subroutine plastic_phenopowerlaw_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -16,7 +16,7 @@ contains
|
||||||
!> @brief allocates all neccessary fields, reads information from material configuration file
|
!> @brief allocates all neccessary fields, reads information from material configuration file
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine porosity_none_init()
|
subroutine porosity_none_init()
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -48,7 +48,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine porosity_phasefield_init(fileUnit)
|
subroutine porosity_phasefield_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -111,7 +111,7 @@ contains
|
||||||
!> @brief reporting precision
|
!> @brief reporting precision
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine prec_init
|
subroutine prec_init
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -63,7 +63,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine source_damage_anisoBrittle_init(fileUnit)
|
subroutine source_damage_anisoBrittle_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -67,7 +67,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine source_damage_anisoDuctile_init(fileUnit)
|
subroutine source_damage_anisoDuctile_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -53,7 +53,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine source_damage_isoBrittle_init(fileUnit)
|
subroutine source_damage_isoBrittle_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -53,7 +53,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine source_damage_isoDuctile_init(fileUnit)
|
subroutine source_damage_isoDuctile_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -39,7 +39,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine source_thermal_dissipation_init(fileUnit)
|
subroutine source_thermal_dissipation_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -45,7 +45,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine source_thermal_externalheat_init(fileUnit)
|
subroutine source_thermal_externalheat_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -41,7 +41,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine source_vacancy_irradiation_init(fileUnit)
|
subroutine source_vacancy_irradiation_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -39,7 +39,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine source_vacancy_phenoplasticity_init(fileUnit)
|
subroutine source_vacancy_phenoplasticity_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -41,7 +41,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine source_vacancy_thermalfluc_init(fileUnit)
|
subroutine source_vacancy_thermalfluc_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -60,7 +60,7 @@ contains
|
||||||
!> @brief allocates all neccessary fields and fills them with data, potentially from restart info
|
!> @brief allocates all neccessary fields and fills them with data, potentially from restart info
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine spectral_damage_init()
|
subroutine spectral_damage_init()
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -15,7 +15,7 @@ module DAMASK_interface
|
||||||
private
|
private
|
||||||
#include <petsc/finclude/petscsys.h>
|
#include <petsc/finclude/petscsys.h>
|
||||||
logical, public, protected :: appendToOutFile = .false. !< Append to existing spectralOut file (in case of restart, not in case of regridding)
|
logical, public, protected :: appendToOutFile = .false. !< Append to existing spectralOut file (in case of restart, not in case of regridding)
|
||||||
integer(pInt), public, protected :: spectralRestartInc = 1_pInt !< Increment at which calculation starts
|
integer(pInt), public, protected :: spectralRestartInc = 0_pInt !< Increment at which calculation starts
|
||||||
character(len=1024), public, protected :: &
|
character(len=1024), public, protected :: &
|
||||||
geometryFile = '', & !< parameter given for geometry file
|
geometryFile = '', & !< parameter given for geometry file
|
||||||
loadCaseFile = '' !< parameter given for load case file
|
loadCaseFile = '' !< parameter given for load case file
|
||||||
|
|
@ -83,7 +83,9 @@ subroutine DAMASK_interface_init()
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! PETSc Init
|
! PETSc Init
|
||||||
#ifdef _OPENMP
|
#ifdef _OPENMP
|
||||||
call MPI_Init_Thread(MPI_THREAD_FUNNELED,threadLevel,ierr);CHKERRQ(ierr) ! in case of OpenMP, don't rely on PETScInitialize doing MPI init
|
! If openMP is enabled, check if the MPI libary supports it and initialize accordingly.
|
||||||
|
! Otherwise, the first call to PETSc will do the initialization.
|
||||||
|
call MPI_Init_Thread(MPI_THREAD_FUNNELED,threadLevel,ierr);CHKERRQ(ierr)
|
||||||
if (threadLevel<MPI_THREAD_FUNNELED) then
|
if (threadLevel<MPI_THREAD_FUNNELED) then
|
||||||
write(6,'(a)') ' MPI library does not support OpenMP'
|
write(6,'(a)') ' MPI library does not support OpenMP'
|
||||||
call quit(1_pInt)
|
call quit(1_pInt)
|
||||||
|
|
@ -165,12 +167,12 @@ subroutine DAMASK_interface_init()
|
||||||
write(6,'(a)') ' For further configuration place "numerics.config"'
|
write(6,'(a)') ' For further configuration place "numerics.config"'
|
||||||
write(6,'(a)')' and "debug.config" in that directory.'
|
write(6,'(a)')' and "debug.config" in that directory.'
|
||||||
write(6,'(/,a)')' --restart XX'
|
write(6,'(/,a)')' --restart XX'
|
||||||
write(6,'(a)') ' Reads in total increment No. XX-1 and continues to'
|
write(6,'(a)') ' Reads in increment XX and continues with calculating'
|
||||||
write(6,'(a)') ' calculate total increment No. XX.'
|
write(6,'(a)') ' increment XX+1 based on this.'
|
||||||
write(6,'(a)') ' Appends to existing results file'
|
write(6,'(a)') ' Appends to existing results file'
|
||||||
write(6,'(a)') ' "NameOfGeom_NameOfLoadFile.spectralOut".'
|
write(6,'(a)') ' "NameOfGeom_NameOfLoadFile.spectralOut".'
|
||||||
write(6,'(a)') ' Works only if the restart information for total increment'
|
write(6,'(a)') ' Works only if the restart information for increment XX'
|
||||||
write(6,'(a)') ' No. XX-1 is available in the working directory.'
|
write(6,'(a)') ' is available in the working directory.'
|
||||||
write(6,'(/,a)')' -----------------------------------------------------------------------'
|
write(6,'(/,a)')' -----------------------------------------------------------------------'
|
||||||
write(6,'(a)') ' Help:'
|
write(6,'(a)') ' Help:'
|
||||||
write(6,'(/,a)')' --help'
|
write(6,'(/,a)')' --help'
|
||||||
|
|
@ -210,8 +212,8 @@ subroutine DAMASK_interface_init()
|
||||||
write(6,'(a,a)') ' Geometry file: ', trim(geometryFile)
|
write(6,'(a,a)') ' Geometry file: ', trim(geometryFile)
|
||||||
write(6,'(a,a)') ' Loadcase file: ', trim(loadCaseFile)
|
write(6,'(a,a)') ' Loadcase file: ', trim(loadCaseFile)
|
||||||
write(6,'(a,a)') ' Solver job name: ', trim(getSolverJobName())
|
write(6,'(a,a)') ' Solver job name: ', trim(getSolverJobName())
|
||||||
if (SpectralRestartInc > 1_pInt) &
|
if (SpectralRestartInc > 0_pInt) &
|
||||||
write(6,'(a,i6.6)') ' Restart at increment: ', spectralRestartInc
|
write(6,'(a,i6.6)') ' Restart from increment: ', spectralRestartInc
|
||||||
write(6,'(a,l1,/)') ' Append to result file: ', appendToOutFile
|
write(6,'(a,l1,/)') ' Append to result file: ', appendToOutFile
|
||||||
|
|
||||||
end subroutine DAMASK_interface_init
|
end subroutine DAMASK_interface_init
|
||||||
|
|
|
||||||
|
|
@ -43,17 +43,20 @@ module spectral_mech_AL
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! stress, stiffness and compliance average etc.
|
! stress, stiffness and compliance average etc.
|
||||||
real(pReal), private, dimension(3,3) :: &
|
real(pReal), private, dimension(3,3) :: &
|
||||||
F_aimDot, & !< assumed rate of average deformation gradient
|
F_aimDot = 0.0_pReal, & !< assumed rate of average deformation gradient
|
||||||
F_aim = math_I3, & !< current prescribed deformation gradient
|
F_aim = math_I3, & !< current prescribed deformation gradient
|
||||||
F_aim_lastInc = math_I3, & !< previous average deformation gradient
|
F_aim_lastInc = math_I3, & !< previous average deformation gradient
|
||||||
F_av = 0.0_pReal, & !< average incompatible def grad field
|
F_av = 0.0_pReal, & !< average incompatible def grad field
|
||||||
P_av = 0.0_pReal, & !< average 1st Piola--Kirchhoff stress
|
P_av = 0.0_pReal, & !< average 1st Piola--Kirchhoff stress
|
||||||
P_avLastEval = 0.0_pReal !< average 1st Piola--Kirchhoff stress last call of CPFEM_general
|
P_avLastEval = 0.0_pReal !< average 1st Piola--Kirchhoff stress last call of CPFEM_general
|
||||||
|
|
||||||
character(len=1024), private :: incInfo !< time and increment information
|
character(len=1024), private :: incInfo !< time and increment information
|
||||||
|
|
||||||
real(pReal), private, dimension(3,3,3,3) :: &
|
real(pReal), private, dimension(3,3,3,3) :: &
|
||||||
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
||||||
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
||||||
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
|
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
|
||||||
|
C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness
|
||||||
S = 0.0_pReal, & !< current compliance (filled up with zeros)
|
S = 0.0_pReal, & !< current compliance (filled up with zeros)
|
||||||
C_scale = 0.0_pReal, &
|
C_scale = 0.0_pReal, &
|
||||||
S_scale = 0.0_pReal
|
S_scale = 0.0_pReal
|
||||||
|
|
@ -62,7 +65,7 @@ module spectral_mech_AL
|
||||||
err_BC, & !< deviation from stress BC
|
err_BC, & !< deviation from stress BC
|
||||||
err_curl, & !< RMS of curl of F
|
err_curl, & !< RMS of curl of F
|
||||||
err_div !< RMS of div of P
|
err_div !< RMS of div of P
|
||||||
logical, private :: ForwardData
|
|
||||||
integer(pInt), private :: &
|
integer(pInt), private :: &
|
||||||
totalIter = 0_pInt !< total iteration in current increment
|
totalIter = 0_pInt !< total iteration in current increment
|
||||||
|
|
||||||
|
|
@ -80,11 +83,11 @@ module spectral_mech_AL
|
||||||
contains
|
contains
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief allocates all neccessary fields and fills them with data, potentially from restart info
|
!> @brief allocates all necessary fields and fills them with data, potentially from restart info
|
||||||
!> @todo use sourced allocation, e.g. allocate(Fdot,source = F_lastInc)
|
!> @todo use sourced allocation, e.g. allocate(Fdot,source = F_lastInc)
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine AL_init
|
subroutine AL_init
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
@ -102,12 +105,15 @@ subroutine AL_init
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
worldrank, &
|
worldrank, &
|
||||||
worldsize
|
worldsize
|
||||||
|
use homogenization, only: &
|
||||||
|
materialpoint_F0
|
||||||
use DAMASK_interface, only: &
|
use DAMASK_interface, only: &
|
||||||
getSolverJobName
|
getSolverJobName
|
||||||
use spectral_utilities, only: &
|
use spectral_utilities, only: &
|
||||||
Utilities_constitutiveResponse, &
|
Utilities_constitutiveResponse, &
|
||||||
Utilities_updateGamma, &
|
Utilities_updateGamma, &
|
||||||
Utilities_updateIPcoords
|
Utilities_updateIPcoords, &
|
||||||
|
wgt
|
||||||
use mesh, only: &
|
use mesh, only: &
|
||||||
grid, &
|
grid, &
|
||||||
grid3
|
grid3
|
||||||
|
|
@ -120,7 +126,11 @@ subroutine AL_init
|
||||||
temp33_Real = 0.0_pReal
|
temp33_Real = 0.0_pReal
|
||||||
|
|
||||||
PetscErrorCode :: ierr
|
PetscErrorCode :: ierr
|
||||||
PetscScalar, pointer, dimension(:,:,:,:) :: xx_psc, F, F_lambda
|
PetscScalar, pointer, dimension(:,:,:,:) :: &
|
||||||
|
FandF_lambda, & ! overall pointer to solution data
|
||||||
|
F, & ! specific (sub)pointer
|
||||||
|
F_lambda ! specific (sub)pointer
|
||||||
|
|
||||||
integer(pInt), dimension(:), allocatable :: localK
|
integer(pInt), dimension(:), allocatable :: localK
|
||||||
integer(pInt) :: proc
|
integer(pInt) :: proc
|
||||||
character(len=1024) :: rankStr
|
character(len=1024) :: rankStr
|
||||||
|
|
@ -164,79 +174,70 @@ subroutine AL_init
|
||||||
grid(1),grid(2),localK, & ! local grid
|
grid(1),grid(2),localK, & ! local grid
|
||||||
da,ierr) ! handle, error
|
da,ierr) ! handle, error
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
|
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) ! connect snes to da
|
||||||
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr)
|
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
|
||||||
call DMDASNESSetFunctionLocal(da,INSERT_VALUES,AL_formResidual,PETSC_NULL_OBJECT,ierr)
|
call DMDASNESSetFunctionLocal(da,INSERT_VALUES,AL_formResidual,PETSC_NULL_OBJECT,ierr) ! residual vector of same shape as solution vector
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
call SNESSetConvergenceTest(snes,AL_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr)
|
call SNESSetConvergenceTest(snes,AL_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr)
|
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! init fields
|
! init fields
|
||||||
call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! places pointer xx_psc on PETSc data
|
call DMDAVecGetArrayF90(da,solution_vec,FandF_lambda,ierr); CHKERRQ(ierr) ! places pointer on PETSc data
|
||||||
F => xx_psc(0:8,:,:,:)
|
F => FandF_lambda( 0: 8,:,:,:)
|
||||||
F_lambda => xx_psc(9:17,:,:,:)
|
F_lambda => FandF_lambda( 9:17,:,:,:)
|
||||||
restart: if (restartInc > 1_pInt) then
|
|
||||||
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
|
restart: if (restartInc > 0_pInt) then
|
||||||
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
|
if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0) then
|
||||||
'reading values of increment ', restartInc - 1_pInt, ' from file'
|
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
|
||||||
|
'reading values of increment ', restartInc, ' from file'
|
||||||
flush(6)
|
flush(6)
|
||||||
|
endif
|
||||||
write(rankStr,'(a1,i0)')'_',worldrank
|
write(rankStr,'(a1,i0)')'_',worldrank
|
||||||
call IO_read_realFile(777,'F'//trim(rankStr),trim(getSolverJobName()),size(F))
|
call IO_read_realFile(777,'F'//trim(rankStr),trim(getSolverJobName()),size(F))
|
||||||
read (777,rec=1) F
|
read (777,rec=1) F; close (777)
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'F_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lastInc))
|
call IO_read_realFile(777,'F_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lastInc))
|
||||||
read (777,rec=1) F_lastInc
|
read (777,rec=1) F_lastInc; close (777)
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'F_lambda'//trim(rankStr),trim(getSolverJobName()),size(F_lambda))
|
call IO_read_realFile(777,'F_lambda'//trim(rankStr),trim(getSolverJobName()),size(F_lambda))
|
||||||
read (777,rec=1) F_lambda
|
read (777,rec=1) F_lambda; close (777)
|
||||||
close (777)
|
call IO_read_realFile(777,'F_lambda_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lambda_lastInc))
|
||||||
call IO_read_realFile(777,'F_lambda_lastInc'//trim(rankStr),&
|
read (777,rec=1) F_lambda_lastInc; close (777)
|
||||||
trim(getSolverJobName()),size(F_lambda_lastInc))
|
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(F_aimDot))
|
||||||
read (777,rec=1) F_lambda_lastInc
|
read (777,rec=1) F_aimDot; close (777)
|
||||||
close (777)
|
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
|
||||||
call IO_read_realFile(777,'F_aim', trim(getSolverJobName()),size(F_aim))
|
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
|
||||||
read (777,rec=1) F_aim
|
elseif (restartInc == 0_pInt) then restart
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'F_aim_lastInc', trim(getSolverJobName()),size(F_aim_lastInc))
|
|
||||||
read (777,rec=1) F_aim_lastInc
|
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(f_aimDot))
|
|
||||||
read (777,rec=1) f_aimDot
|
|
||||||
close (777)
|
|
||||||
elseif (restartInc == 1_pInt) then restart
|
|
||||||
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
||||||
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
||||||
F_lambda = F
|
F_lambda = F
|
||||||
F_lambda_lastInc = F_lastInc
|
F_lambda_lastInc = F_lastInc
|
||||||
endif restart
|
endif restart
|
||||||
|
|
||||||
|
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
|
||||||
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
|
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
|
||||||
call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, &
|
call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
|
||||||
reshape(F,shape(F_lastInc)), 0.0_pReal, math_I3)
|
reshape(F,shape(F_lastInc)), & ! target F
|
||||||
|
0.0_pReal, & ! time increment
|
||||||
|
math_I3) ! no rotation of boundary condition
|
||||||
nullify(F)
|
nullify(F)
|
||||||
nullify(F_lambda)
|
nullify(F_lambda)
|
||||||
call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! write data back to PETSc
|
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_lambda,ierr); CHKERRQ(ierr) ! write data back to PETSc
|
||||||
|
|
||||||
restartRead: if (restartInc > 1_pInt) then
|
restartRead: if (restartInc > 0_pInt) then
|
||||||
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
|
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
|
||||||
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
|
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
|
||||||
'reading more values of increment', restartInc - 1_pInt, 'from file'
|
'reading more values of increment ', restartInc, ' from file'
|
||||||
flush(6)
|
flush(6)
|
||||||
call IO_read_realFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg))
|
call IO_read_realFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg))
|
||||||
read (777,rec=1) C_volAvg
|
read (777,rec=1) C_volAvg; close (777)
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'C_volAvgLastInc',trim(getSolverJobName()),size(C_volAvgLastInc))
|
call IO_read_realFile(777,'C_volAvgLastInc',trim(getSolverJobName()),size(C_volAvgLastInc))
|
||||||
read (777,rec=1) C_volAvgLastInc
|
read (777,rec=1) C_volAvgLastInc; close (777)
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'C_ref',trim(getSolverJobName()),size(C_minMaxAvg))
|
call IO_read_realFile(777,'C_ref',trim(getSolverJobName()),size(C_minMaxAvg))
|
||||||
read (777,rec=1) C_minMaxAvg
|
read (777,rec=1) C_minMaxAvg; close (777)
|
||||||
close (777)
|
|
||||||
endif restartRead
|
endif restartRead
|
||||||
|
|
||||||
call Utilities_updateGamma(C_minMaxAvg,.True.)
|
call Utilities_updateGamma(C_minMaxAvg,.true.)
|
||||||
C_scale = C_minMaxAvg
|
C_scale = C_minMaxAvg
|
||||||
S_scale = math_invSym3333(C_minMaxAvg)
|
S_scale = math_invSym3333(C_minMaxAvg)
|
||||||
|
|
||||||
|
|
@ -246,8 +247,7 @@ end subroutine AL_init
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief solution for the AL scheme with internal iterations
|
!> @brief solution for the AL scheme with internal iterations
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
type(tSolutionState) function &
|
type(tSolutionState) function AL_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC)
|
||||||
AL_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC)
|
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
IO_error
|
IO_error
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
|
|
@ -266,13 +266,13 @@ type(tSolutionState) function &
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! input data for solution
|
! input data for solution
|
||||||
real(pReal), intent(in) :: &
|
|
||||||
timeinc, & !< increment in time for current solution
|
|
||||||
timeinc_old !< increment in time of last increment
|
|
||||||
type(tBoundaryCondition), intent(in) :: &
|
|
||||||
stress_BC
|
|
||||||
character(len=*), intent(in) :: &
|
character(len=*), intent(in) :: &
|
||||||
incInfoIn
|
incInfoIn
|
||||||
|
real(pReal), intent(in) :: &
|
||||||
|
timeinc, & !< increment time for current solution
|
||||||
|
timeinc_old !< increment time of last successful increment
|
||||||
|
type(tBoundaryCondition), intent(in) :: &
|
||||||
|
stress_BC
|
||||||
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
@ -305,18 +305,17 @@ type(tSolutionState) function &
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! solve BVP
|
! solve BVP
|
||||||
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
|
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr); CHKERRQ(ierr)
|
||||||
CHKERRQ(ierr)
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! check convergence
|
! check convergence
|
||||||
call SNESGetConvergedReason(snes,reason,ierr)
|
call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
|
||||||
CHKERRQ(ierr)
|
|
||||||
|
AL_solution%converged = reason > 0
|
||||||
|
AL_solution%iterationsNeeded = totalIter
|
||||||
AL_solution%termIll = terminallyIll
|
AL_solution%termIll = terminallyIll
|
||||||
terminallyIll = .false.
|
terminallyIll = .false.
|
||||||
if (reason == -4) call IO_error(893_pInt)
|
if (reason == -4) call IO_error(893_pInt) ! MPI error
|
||||||
if (reason < 1) AL_solution%converged = .false.
|
|
||||||
AL_solution%iterationsNeeded = totalIter
|
|
||||||
|
|
||||||
end function AL_solution
|
end function AL_solution
|
||||||
|
|
||||||
|
|
@ -331,8 +330,8 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
polarAlpha, &
|
polarAlpha, &
|
||||||
polarBeta
|
polarBeta
|
||||||
use mesh, only: &
|
use mesh, only: &
|
||||||
grid3, &
|
grid, &
|
||||||
grid
|
grid3
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
IO_intOut
|
IO_intOut
|
||||||
use math, only: &
|
use math, only: &
|
||||||
|
|
@ -341,6 +340,10 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
math_mul3333xx33, &
|
math_mul3333xx33, &
|
||||||
math_invSym3333, &
|
math_invSym3333, &
|
||||||
math_mul33x33
|
math_mul33x33
|
||||||
|
use debug, only: &
|
||||||
|
debug_level, &
|
||||||
|
debug_spectral, &
|
||||||
|
debug_spectralRotation
|
||||||
use spectral_utilities, only: &
|
use spectral_utilities, only: &
|
||||||
wgt, &
|
wgt, &
|
||||||
tensorField_real, &
|
tensorField_real, &
|
||||||
|
|
@ -350,25 +353,17 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
Utilities_constitutiveResponse, &
|
Utilities_constitutiveResponse, &
|
||||||
Utilities_divergenceRMS, &
|
Utilities_divergenceRMS, &
|
||||||
Utilities_curlRMS
|
Utilities_curlRMS
|
||||||
use debug, only: &
|
|
||||||
debug_level, &
|
|
||||||
debug_spectral, &
|
|
||||||
debug_spectralRotation
|
|
||||||
use homogenization, only: &
|
use homogenization, only: &
|
||||||
materialpoint_dPdF
|
materialpoint_dPdF
|
||||||
use FEsolving, only: &
|
use FEsolving, only: &
|
||||||
terminallyIll
|
terminallyIll
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
!--------------------------------------------------------------------------------------------------
|
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in
|
||||||
! strange syntax in the next line because otherwise macros expand beyond 132 character limit
|
|
||||||
DMDALocalInfo, dimension(&
|
|
||||||
DMDA_LOCAL_INFO_SIZE) :: &
|
|
||||||
in
|
|
||||||
PetscScalar, &
|
PetscScalar, &
|
||||||
target, dimension(3,3,2, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: x_scal
|
target, dimension(3,3,2, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: x_scal !< what is this?
|
||||||
PetscScalar, &
|
PetscScalar, &
|
||||||
target, dimension(3,3,2, X_RANGE, Y_RANGE, Z_RANGE), intent(out) :: f_scal
|
target, dimension(3,3,2, X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: f_scal !< what is this?
|
||||||
PetscScalar, pointer, dimension(:,:,:,:,:) :: &
|
PetscScalar, pointer, dimension(:,:,:,:,:) :: &
|
||||||
F, &
|
F, &
|
||||||
F_lambda, &
|
F_lambda, &
|
||||||
|
|
@ -395,24 +390,24 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
residual_F_lambda => f_scal(1:3,1:3,2,&
|
residual_F_lambda => f_scal(1:3,1:3,2,&
|
||||||
X_RANGE, Y_RANGE, Z_RANGE)
|
X_RANGE, Y_RANGE, Z_RANGE)
|
||||||
|
|
||||||
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
|
||||||
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
|
||||||
|
|
||||||
F_av = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt
|
F_av = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt
|
||||||
call MPI_Allreduce(MPI_IN_PLACE,F_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
call MPI_Allreduce(MPI_IN_PLACE,F_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||||
|
|
||||||
|
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
||||||
|
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
||||||
|
|
||||||
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
|
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
|
||||||
newIteration: if(totalIter <= PETScIter) then
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! report begin of new iteration
|
! begin of new iteration
|
||||||
|
newIteration: if (totalIter <= PETScIter) then
|
||||||
totalIter = totalIter + 1_pInt
|
totalIter = totalIter + 1_pInt
|
||||||
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
|
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') &
|
||||||
' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
||||||
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
||||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab) =', &
|
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||||
math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
|
' deformation gradient aim (lab) =', math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
|
||||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim =', &
|
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||||
math_transpose33(F_aim)
|
' deformation gradient aim =', math_transpose33(F_aim)
|
||||||
flush(6)
|
flush(6)
|
||||||
endif newIteration
|
endif newIteration
|
||||||
|
|
||||||
|
|
@ -424,7 +419,6 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
polarBeta*math_mul3333xx33(C_scale,F(1:3,1:3,i,j,k) - math_I3) -&
|
polarBeta*math_mul3333xx33(C_scale,F(1:3,1:3,i,j,k) - math_I3) -&
|
||||||
polarAlpha*math_mul33x33(F(1:3,1:3,i,j,k), &
|
polarAlpha*math_mul33x33(F(1:3,1:3,i,j,k), &
|
||||||
math_mul3333xx33(C_scale,F_lambda(1:3,1:3,i,j,k) - math_I3))
|
math_mul3333xx33(C_scale,F_lambda(1:3,1:3,i,j,k) - math_I3))
|
||||||
|
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
@ -434,8 +428,8 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
call utilities_FFTtensorBackward()
|
call utilities_FFTtensorBackward()
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! constructing residual
|
! constructing F_lambda residual
|
||||||
residual_F_lambda = polarBeta*F - tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3)
|
residual_F_lambda = polarBeta*F - tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) !< eq (16) in doi: 10.1016/j.ijplas.2014.02.006
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! evaluate constitutive response
|
! evaluate constitutive response
|
||||||
|
|
@ -444,15 +438,13 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
call Utilities_constitutiveResponse(residual_F,P_av,C_volAvg,C_minMaxAvg, &
|
call Utilities_constitutiveResponse(residual_F,P_av,C_volAvg,C_minMaxAvg, &
|
||||||
F - residual_F_lambda/polarBeta,params%timeinc, params%rotation_BC)
|
F - residual_F_lambda/polarBeta,params%timeinc, params%rotation_BC)
|
||||||
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
|
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
|
||||||
ForwardData = .False.
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! calculate divergence
|
! calculate divergence
|
||||||
tensorField_real = 0.0_pReal
|
tensorField_real = 0.0_pReal
|
||||||
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residual_F
|
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residual_F !< stress field in disguise
|
||||||
call utilities_FFTtensorForward()
|
call utilities_FFTtensorForward()
|
||||||
err_div = Utilities_divergenceRMS()
|
err_div = Utilities_divergenceRMS() !< root mean squared error in divergence of stress
|
||||||
call utilities_FFTtensorBackward()
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! constructing residual
|
! constructing residual
|
||||||
|
|
@ -463,7 +455,7 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
residual_F(1:3,1:3,i,j,k) - &
|
residual_F(1:3,1:3,i,j,k) - &
|
||||||
math_mul33x33(F(1:3,1:3,i,j,k), &
|
math_mul33x33(F(1:3,1:3,i,j,k), &
|
||||||
math_mul3333xx33(C_scale,F_lambda(1:3,1:3,i,j,k) - math_I3))) &
|
math_mul3333xx33(C_scale,F_lambda(1:3,1:3,i,j,k) - math_I3))) &
|
||||||
+ residual_F_lambda(1:3,1:3,i,j,k)
|
+ residual_F_lambda(1:3,1:3,i,j,k) !< eq (16) in doi: 10.1016/j.ijplas.2014.02.006
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
@ -472,8 +464,11 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = F
|
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = F
|
||||||
call utilities_FFTtensorForward()
|
call utilities_FFTtensorForward()
|
||||||
err_curl = Utilities_curlRMS()
|
err_curl = Utilities_curlRMS()
|
||||||
call utilities_FFTtensorBackward()
|
|
||||||
|
|
||||||
|
nullify(F)
|
||||||
|
nullify(F_lambda)
|
||||||
|
nullify(residual_F)
|
||||||
|
nullify(residual_F_lambda)
|
||||||
end subroutine AL_formResidual
|
end subroutine AL_formResidual
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -488,8 +483,8 @@ subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr
|
||||||
err_div_tolAbs, &
|
err_div_tolAbs, &
|
||||||
err_curl_tolRel, &
|
err_curl_tolRel, &
|
||||||
err_curl_tolAbs, &
|
err_curl_tolAbs, &
|
||||||
err_stress_tolAbs, &
|
err_stress_tolRel, &
|
||||||
err_stress_tolRel
|
err_stress_tolAbs
|
||||||
use math, only: &
|
use math, only: &
|
||||||
math_mul3333xx33
|
math_mul3333xx33
|
||||||
use FEsolving, only: &
|
use FEsolving, only: &
|
||||||
|
|
@ -508,24 +503,24 @@ subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr
|
||||||
real(pReal) :: &
|
real(pReal) :: &
|
||||||
curlTol, &
|
curlTol, &
|
||||||
divTol, &
|
divTol, &
|
||||||
BC_tol
|
BCTol
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! stress BC handling
|
! stress BC handling
|
||||||
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc
|
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc
|
||||||
err_BC = maxval(abs((-mask_stress+1.0_pReal)*math_mul3333xx33(C_scale,F_aim-F_av) + &
|
err_BC = maxval(abs((1.0_pReal-mask_stress) * math_mul3333xx33(C_scale,F_aim-F_av) + &
|
||||||
mask_stress * (P_av-params%stress_BC))) ! mask = 0.0 for no bc
|
mask_stress * (P_av-params%stress_BC))) ! mask = 0.0 for no bc
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! error calculation
|
! error calculation
|
||||||
curlTol = max(maxval(abs(F_aim-math_I3))*err_curl_tolRel ,err_curl_tolAbs)
|
curlTol = max(maxval(abs(F_aim-math_I3))*err_curl_tolRel ,err_curl_tolAbs)
|
||||||
divTol = max(maxval(abs(P_av)) *err_div_tolRel ,err_div_tolAbs)
|
divTol = max(maxval(abs(P_av)) *err_div_tolRel ,err_div_tolAbs)
|
||||||
BC_tol = max(maxval(abs(P_av)) *err_stress_tolrel,err_stress_tolabs)
|
BCTol = max(maxval(abs(P_av)) *err_stress_tolRel,err_stress_tolAbs)
|
||||||
|
|
||||||
converged: if ((totalIter >= itmin .and. &
|
converged: if ((totalIter >= itmin .and. &
|
||||||
all([ err_div /divTol, &
|
all([ err_div /divTol, &
|
||||||
err_curl/curlTol, &
|
err_curl/curlTol, &
|
||||||
err_BC/BC_tol ] < 1.0_pReal)) &
|
err_BC /BCTol ] < 1.0_pReal)) &
|
||||||
.or. terminallyIll) then
|
.or. terminallyIll) then
|
||||||
reason = 1
|
reason = 1
|
||||||
elseif (totalIter >= itmax) then converged
|
elseif (totalIter >= itmax) then converged
|
||||||
|
|
@ -537,12 +532,12 @@ subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! report
|
! report
|
||||||
write(6,'(1/,a)') ' ... reporting .............................................................'
|
write(6,'(1/,a)') ' ... reporting .............................................................'
|
||||||
write(6,'(/,a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', &
|
write(6,'(/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
||||||
err_curl/curlTol,' (',err_curl,' -, tol =',curlTol,')'
|
|
||||||
write(6,' (a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
|
||||||
err_div/divTol, ' (',err_div, ' / m, tol = ',divTol,')'
|
err_div/divTol, ' (',err_div, ' / m, tol = ',divTol,')'
|
||||||
|
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', &
|
||||||
|
err_curl/curlTol,' (',err_curl,' -, tol = ',curlTol,')'
|
||||||
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', &
|
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', &
|
||||||
err_BC/BC_tol, ' (',err_BC, ' Pa, tol =',BC_tol,')'
|
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
|
||||||
write(6,'(/,a)') ' ==========================================================================='
|
write(6,'(/,a)') ' ==========================================================================='
|
||||||
flush(6)
|
flush(6)
|
||||||
|
|
||||||
|
|
@ -550,6 +545,8 @@ end subroutine AL_converged
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief forwarding routine
|
!> @brief forwarding routine
|
||||||
|
!> @details find new boundary conditions and best F estimate for end of current timestep
|
||||||
|
!> possibly writing restart information, triggering of state increment in DAMASK, and updating of IPcoordinates
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine AL_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
|
subroutine AL_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
|
||||||
use math, only: &
|
use math, only: &
|
||||||
|
|
@ -559,9 +556,13 @@ subroutine AL_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stre
|
||||||
math_rotate_backward33
|
math_rotate_backward33
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
worldrank
|
worldrank
|
||||||
|
use homogenization, only: &
|
||||||
|
materialpoint_F0
|
||||||
use mesh, only: &
|
use mesh, only: &
|
||||||
grid3, &
|
grid, &
|
||||||
grid
|
grid3
|
||||||
|
use CPFEM2, only: &
|
||||||
|
CPFEM_age
|
||||||
use spectral_utilities, only: &
|
use spectral_utilities, only: &
|
||||||
Utilities_calculateRate, &
|
Utilities_calculateRate, &
|
||||||
Utilities_forwardField, &
|
Utilities_forwardField, &
|
||||||
|
|
@ -574,6 +575,8 @@ subroutine AL_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stre
|
||||||
restartWrite
|
restartWrite
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
|
logical, intent(in) :: &
|
||||||
|
guess
|
||||||
real(pReal), intent(in) :: &
|
real(pReal), intent(in) :: &
|
||||||
timeinc_old, &
|
timeinc_old, &
|
||||||
timeinc, &
|
timeinc, &
|
||||||
|
|
@ -581,100 +584,102 @@ subroutine AL_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stre
|
||||||
type(tBoundaryCondition), intent(in) :: &
|
type(tBoundaryCondition), intent(in) :: &
|
||||||
stress_BC, &
|
stress_BC, &
|
||||||
deformation_BC
|
deformation_BC
|
||||||
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
real(pReal), dimension(3,3), intent(in) ::&
|
||||||
logical, intent(in) :: &
|
rotation_BC
|
||||||
guess
|
|
||||||
PetscErrorCode :: ierr
|
PetscErrorCode :: ierr
|
||||||
PetscScalar, dimension(:,:,:,:), pointer :: xx_psc, F, F_lambda
|
PetscScalar, dimension(:,:,:,:), pointer :: FandF_lambda, F, F_lambda
|
||||||
integer(pInt) :: i, j, k
|
integer(pInt) :: i, j, k
|
||||||
real(pReal), dimension(3,3) :: F_lambda33
|
real(pReal), dimension(3,3) :: F_lambda33
|
||||||
character(len=1024) :: rankStr
|
character(len=32) :: rankStr
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! update coordinates and rate and forward last inc
|
! update coordinates and rate and forward last inc
|
||||||
call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr)
|
call DMDAVecGetArrayF90(da,solution_vec,FandF_lambda,ierr); CHKERRQ(ierr)
|
||||||
F => xx_psc(0:8,:,:,:)
|
F => FandF_lambda( 0: 8,:,:,:)
|
||||||
F_lambda => xx_psc(9:17,:,:,:)
|
F_lambda => FandF_lambda( 9:17,:,:,:)
|
||||||
if (restartWrite) then
|
|
||||||
write(6,'(/,a)') ' writing converged results for restart'
|
|
||||||
flush(6)
|
|
||||||
write(rankStr,'(a1,i0)')'_',worldrank
|
|
||||||
call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file
|
|
||||||
write (777,rec=1) F
|
|
||||||
close (777)
|
|
||||||
call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file
|
|
||||||
write (777,rec=1) F_lastInc
|
|
||||||
close (777)
|
|
||||||
call IO_write_jobRealFile(777,'F_lambda'//trim(rankStr),size(F_lambda)) ! writing deformation gradient field to file
|
|
||||||
write (777,rec=1) F_lambda
|
|
||||||
close (777)
|
|
||||||
call IO_write_jobRealFile(777,'F_lambda_lastInc'//trim(rankStr),size(F_lambda_lastInc)) ! writing F_lastInc field to file
|
|
||||||
write (777,rec=1) F_lambda_lastInc
|
|
||||||
close (777)
|
|
||||||
if (worldrank == 0_pInt) then
|
|
||||||
call IO_write_jobRealFile(777,'F_aim',size(F_aim))
|
|
||||||
write (777,rec=1) F_aim
|
|
||||||
close(777)
|
|
||||||
call IO_write_jobRealFile(777,'F_aim_lastInc',size(F_aim_lastInc))
|
|
||||||
write (777,rec=1) F_aim_lastInc
|
|
||||||
close(777)
|
|
||||||
call IO_write_jobRealFile(777,'F_aimDot',size(F_aimDot))
|
|
||||||
write (777,rec=1) F_aimDot
|
|
||||||
close(777)
|
|
||||||
call IO_write_jobRealFile(777,'C_volAvg',size(C_volAvg))
|
|
||||||
write (777,rec=1) C_volAvg
|
|
||||||
close(777)
|
|
||||||
call IO_write_jobRealFile(777,'C_volAvgLastInc',size(C_volAvgLastInc))
|
|
||||||
write (777,rec=1) C_volAvgLastInc
|
|
||||||
close(777)
|
|
||||||
endif
|
|
||||||
endif
|
|
||||||
|
|
||||||
call utilities_updateIPcoords(F)
|
|
||||||
|
|
||||||
if (cutBack) then
|
if (cutBack) then
|
||||||
F_aim = F_aim_lastInc
|
C_volAvg = C_volAvgLastInc ! QUESTION: where is this required?
|
||||||
F_lambda = reshape(F_lambda_lastInc,[9,grid(1),grid(2),grid3])
|
C_minMaxAvg = C_minMaxAvgLastInc ! QUESTION: where is this required?
|
||||||
F = reshape(F_lastInc, [9,grid(1),grid(2),grid3])
|
|
||||||
C_volAvg = C_volAvgLastInc
|
|
||||||
else
|
else
|
||||||
ForwardData = .True.
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! restart information for spectral solver
|
||||||
|
if (restartWrite) then ! QUESTION: where is this logical properly set?
|
||||||
|
write(6,'(/,a)') ' writing converged results for restart'
|
||||||
|
flush(6)
|
||||||
|
|
||||||
|
if (worldrank == 0_pInt) then
|
||||||
|
call IO_write_jobRealFile(777,'C_volAvg',size(C_volAvg))
|
||||||
|
write (777,rec=1) C_volAvg; close(777)
|
||||||
|
call IO_write_jobRealFile(777,'C_volAvgLastInc',size(C_volAvgLastInc))
|
||||||
|
write (777,rec=1) C_volAvgLastInc; close(777)
|
||||||
|
! call IO_write_jobRealFile(777,'C_minMaxAvg',size(C_volAvg))
|
||||||
|
! write (777,rec=1) C_minMaxAvg; close(777)
|
||||||
|
! call IO_write_jobRealFile(777,'C_minMaxAvgLastInc',size(C_volAvgLastInc))
|
||||||
|
! write (777,rec=1) C_minMaxAvgLastInc; close(777)
|
||||||
|
call IO_write_jobRealFile(777,'F_aimDot',size(F_aimDot))
|
||||||
|
write (777,rec=1) F_aimDot; close(777)
|
||||||
|
endif
|
||||||
|
|
||||||
|
write(rankStr,'(a1,i0)')'_',worldrank
|
||||||
|
call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file
|
||||||
|
write (777,rec=1) F; close (777)
|
||||||
|
call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file
|
||||||
|
write (777,rec=1) F_lastInc; close (777)
|
||||||
|
call IO_write_jobRealFile(777,'F_lambda'//trim(rankStr),size(F_lambda)) ! writing deformation gradient field to file
|
||||||
|
write (777,rec=1) F_lambda; close (777)
|
||||||
|
call IO_write_jobRealFile(777,'F_lambda_lastInc'//trim(rankStr),size(F_lambda_lastInc)) ! writing F_lastInc field to file
|
||||||
|
write (777,rec=1) F_lambda_lastInc; close (777)
|
||||||
|
endif
|
||||||
|
|
||||||
|
call CPFEM_age() ! age state and kinematics
|
||||||
|
call utilities_updateIPcoords(F)
|
||||||
|
|
||||||
C_volAvgLastInc = C_volAvg
|
C_volAvgLastInc = C_volAvg
|
||||||
|
C_minMaxAvgLastInc = C_minMaxAvg
|
||||||
|
|
||||||
|
if (guess) then ! QUESTION: better with a = L ? x:y
|
||||||
|
F_aimDot = stress_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old ! initialize with correction based on last inc
|
||||||
|
else
|
||||||
|
F_aimDot = 0.0_pReal
|
||||||
|
endif
|
||||||
|
F_aim_lastInc = F_aim
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! calculate rate for aim
|
! calculate rate for aim
|
||||||
if (deformation_BC%myType=='l') then ! calculate f_aimDot from given L and current F
|
if (deformation_BC%myType=='l') then ! calculate F_aimDot from given L and current F
|
||||||
f_aimDot = deformation_BC%maskFloat * math_mul33x33(deformation_BC%values, F_aim)
|
F_aimDot = &
|
||||||
elseif(deformation_BC%myType=='fdot') then ! f_aimDot is prescribed
|
F_aimDot + deformation_BC%maskFloat * math_mul33x33(deformation_BC%values, F_aim_lastInc)
|
||||||
f_aimDot = deformation_BC%maskFloat * deformation_BC%values
|
elseif(deformation_BC%myType=='fdot') then ! F_aimDot is prescribed
|
||||||
|
F_aimDot = &
|
||||||
|
F_aimDot + deformation_BC%maskFloat * deformation_BC%values
|
||||||
elseif (deformation_BC%myType=='f') then ! aim at end of load case is prescribed
|
elseif (deformation_BC%myType=='f') then ! aim at end of load case is prescribed
|
||||||
f_aimDot = deformation_BC%maskFloat * (deformation_BC%values -F_aim)/loadCaseTime
|
F_aimDot = &
|
||||||
|
F_aimDot + deformation_BC%maskFloat * (deformation_BC%values - F_aim_lastInc)/loadCaseTime
|
||||||
endif
|
endif
|
||||||
if (guess) f_aimDot = f_aimDot + stress_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old
|
|
||||||
F_aim_lastInc = F_aim
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! update coordinates and rate and forward last inc
|
|
||||||
call utilities_updateIPcoords(F)
|
|
||||||
Fdot = Utilities_calculateRate(guess, &
|
Fdot = Utilities_calculateRate(guess, &
|
||||||
F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]),timeinc_old, &
|
F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]),timeinc_old, &
|
||||||
math_rotate_backward33(f_aimDot,rotation_BC))
|
math_rotate_backward33(F_aimDot,rotation_BC))
|
||||||
F_lambdaDot = Utilities_calculateRate(guess, &
|
F_lambdaDot = Utilities_calculateRate(guess, &
|
||||||
F_lambda_lastInc,reshape(F_lambda,[3,3,grid(1),grid(2),grid3]), timeinc_old, &
|
F_lambda_lastInc,reshape(F_lambda,[3,3,grid(1),grid(2),grid3]), timeinc_old, &
|
||||||
math_rotate_backward33(f_aimDot,rotation_BC))
|
math_rotate_backward33(F_aimDot,rotation_BC))
|
||||||
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3])
|
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3]) ! winding F forward
|
||||||
F_lambda_lastInc = reshape(F_lambda,[3,3,grid(1),grid(2),grid3])
|
F_lambda_lastInc = reshape(F_lambda, [3,3,grid(1),grid(2),grid3]) ! winding F_lambda forward
|
||||||
|
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
|
||||||
endif
|
endif
|
||||||
|
|
||||||
F_aim = F_aim + f_aimDot * timeinc
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! update local deformation gradient
|
! update average and local deformation gradients
|
||||||
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! ensure that it matches rotated F_aim
|
F_aim = F_aim_lastInc + F_aimDot * timeinc
|
||||||
|
|
||||||
|
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average
|
||||||
math_rotate_backward33(F_aim,rotation_BC)),&
|
math_rotate_backward33(F_aim,rotation_BC)),&
|
||||||
[9,grid(1),grid(2),grid3])
|
[9,grid(1),grid(2),grid3])
|
||||||
|
if (guess) then
|
||||||
F_lambda = reshape(Utilities_forwardField(timeinc,F_lambda_lastInc,F_lambdadot), &
|
F_lambda = reshape(Utilities_forwardField(timeinc,F_lambda_lastInc,F_lambdadot), &
|
||||||
[9,grid(1),grid(2),grid3]) ! does not have any average value as boundary condition
|
[9,grid(1),grid(2),grid3]) ! does not have any average value as boundary condition
|
||||||
if (.not. guess) then ! large strain forwarding
|
else
|
||||||
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
|
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
|
||||||
F_lambda33 = reshape(F_lambda(1:9,i,j,k),[3,3])
|
F_lambda33 = reshape(F_lambda(1:9,i,j,k),[3,3])
|
||||||
F_lambda33 = math_mul3333xx33(S_scale,math_mul33x33(F_lambda33, &
|
F_lambda33 = math_mul3333xx33(S_scale,math_mul33x33(F_lambda33, &
|
||||||
|
|
@ -685,7 +690,10 @@ subroutine AL_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stre
|
||||||
F_lambda(1:9,i,j,k) = reshape(F_lambda33,[9])
|
F_lambda(1:9,i,j,k) = reshape(F_lambda33,[9])
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
endif
|
endif
|
||||||
call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr)
|
|
||||||
|
nullify(F)
|
||||||
|
nullify(F_lambda)
|
||||||
|
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_lambda,ierr); CHKERRQ(ierr)
|
||||||
|
|
||||||
end subroutine AL_forward
|
end subroutine AL_forward
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -38,21 +38,27 @@ module spectral_mech_basic
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! stress, stiffness and compliance average etc.
|
! stress, stiffness and compliance average etc.
|
||||||
real(pReal), private, dimension(3,3) :: &
|
real(pReal), private, dimension(3,3) :: &
|
||||||
F_aim = math_I3, &
|
F_aimDot = 0.0_pReal, & !< assumed rate of average deformation gradient
|
||||||
F_aim_lastInc = math_I3, &
|
F_aim = math_I3, & !< current prescribed deformation gradient
|
||||||
P_av = 0.0_pReal, &
|
F_aim_lastInc = math_I3, & !< previous average deformation gradient
|
||||||
F_aimDot = 0.0_pReal
|
P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress
|
||||||
character(len=1024), private :: incInfo
|
|
||||||
|
character(len=1024), private :: incInfo !< time and increment information
|
||||||
|
|
||||||
real(pReal), private, dimension(3,3,3,3) :: &
|
real(pReal), private, dimension(3,3,3,3) :: &
|
||||||
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
||||||
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
||||||
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
|
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
|
||||||
C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness
|
C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness
|
||||||
S = 0.0_pReal !< current compliance (filled up with zeros)
|
S = 0.0_pReal !< current compliance (filled up with zeros)
|
||||||
real(pReal), private :: err_stress, err_div
|
|
||||||
logical, private :: ForwardData
|
real(pReal), private :: &
|
||||||
|
err_BC, & !< deviation from stress BC
|
||||||
|
err_div !< RMS of div of P
|
||||||
|
|
||||||
integer(pInt), private :: &
|
integer(pInt), private :: &
|
||||||
totalIter = 0_pInt !< total iteration in current increment
|
totalIter = 0_pInt !< total iteration in current increment
|
||||||
|
|
||||||
real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
|
real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
|
||||||
|
|
||||||
public :: &
|
public :: &
|
||||||
|
|
@ -72,7 +78,7 @@ contains
|
||||||
!> @brief allocates all necessary fields and fills them with data, potentially from restart info
|
!> @brief allocates all necessary fields and fills them with data, potentially from restart info
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine basicPETSc_init
|
subroutine basicPETSc_init
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
@ -154,11 +160,10 @@ subroutine basicPETSc_init
|
||||||
grid(1),grid(2),localK, & ! local grid
|
grid(1),grid(2),localK, & ! local grid
|
||||||
da,ierr) ! handle, error
|
da,ierr) ! handle, error
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
|
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) ! connect snes to da
|
||||||
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
|
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
|
||||||
call DMDASNESSetFunctionLocal(da,INSERT_VALUES,BasicPETSC_formResidual,PETSC_NULL_OBJECT,ierr) ! residual vector of same shape as solution vector
|
call DMDASNESSetFunctionLocal(da,INSERT_VALUES,BasicPETSC_formResidual,PETSC_NULL_OBJECT,ierr) ! residual vector of same shape as solution vector
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) ! connect snes to da
|
|
||||||
call SNESSetConvergenceTest(snes,BasicPETSC_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
|
call SNESSetConvergenceTest(snes,BasicPETSC_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
|
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
|
||||||
|
|
@ -167,10 +172,10 @@ subroutine basicPETSc_init
|
||||||
! init fields
|
! init fields
|
||||||
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! get the data out of PETSc to work with
|
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! get the data out of PETSc to work with
|
||||||
|
|
||||||
restart: if (restartInc > 1_pInt) then
|
restart: if (restartInc > 0_pInt) then
|
||||||
if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0) then
|
if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0) then
|
||||||
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
|
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
|
||||||
'reading values of increment ', restartInc - 1_pInt, ' from file'
|
'reading values of increment ', restartInc, ' from file'
|
||||||
flush(6)
|
flush(6)
|
||||||
endif
|
endif
|
||||||
write(rankStr,'(a1,i0)')'_',worldrank
|
write(rankStr,'(a1,i0)')'_',worldrank
|
||||||
|
|
@ -182,7 +187,7 @@ subroutine basicPETSc_init
|
||||||
read (777,rec=1) F_aimDot; close (777)
|
read (777,rec=1) F_aimDot; close (777)
|
||||||
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
|
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
|
||||||
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
|
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
|
||||||
elseif (restartInc == 1_pInt) then restart
|
elseif (restartInc == 0_pInt) then restart
|
||||||
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
||||||
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
||||||
endif restart
|
endif restart
|
||||||
|
|
@ -196,10 +201,10 @@ subroutine basicPETSc_init
|
||||||
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! write data back to PETSc
|
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! write data back to PETSc
|
||||||
! QUESTION: why not writing back right after reading (l.189)?
|
! QUESTION: why not writing back right after reading (l.189)?
|
||||||
|
|
||||||
restartRead: if (restartInc > 1_pInt) then ! QUESTION: are those values not calc'ed by constitutiveResponse? why reading from file?
|
restartRead: if (restartInc > 0_pInt) then ! QUESTION: are those values not calc'ed by constitutiveResponse? why reading from file?
|
||||||
if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0 .and. worldrank == 0_pInt) &
|
if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0 .and. worldrank == 0_pInt) &
|
||||||
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
|
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
|
||||||
'reading more values of increment', restartInc-1_pInt, 'from file'
|
'reading more values of increment ', restartInc, ' from file'
|
||||||
flush(6)
|
flush(6)
|
||||||
call IO_read_realFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg))
|
call IO_read_realFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg))
|
||||||
read (777,rec=1) C_volAvg; close (777)
|
read (777,rec=1) C_volAvg; close (777)
|
||||||
|
|
@ -209,7 +214,7 @@ subroutine basicPETSc_init
|
||||||
read (777,rec=1) C_minMaxAvg; close (777)
|
read (777,rec=1) C_minMaxAvg; close (777)
|
||||||
endif restartRead
|
endif restartRead
|
||||||
|
|
||||||
call Utilities_updateGamma(C_minmaxAvg,.true.)
|
call Utilities_updateGamma(C_minMaxAvg,.true.)
|
||||||
|
|
||||||
end subroutine basicPETSc_init
|
end subroutine basicPETSc_init
|
||||||
|
|
||||||
|
|
@ -256,7 +261,7 @@ type(tSolutionState) function basicPETSc_solution(incInfoIn,timeinc,timeinc_old,
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! update stiffness (and gamma operator)
|
! update stiffness (and gamma operator)
|
||||||
S = Utilities_maskedCompliance(rotation_BC,stress_BC%maskLogical,C_volAvg)
|
S = Utilities_maskedCompliance(rotation_BC,stress_BC%maskLogical,C_volAvg)
|
||||||
if (update_gamma) call Utilities_updateGamma(C_minmaxAvg,restartWrite)
|
if (update_gamma) call Utilities_updateGamma(C_minMaxAvg,restartWrite)
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
@ -269,8 +274,7 @@ type(tSolutionState) function basicPETSc_solution(incInfoIn,timeinc,timeinc_old,
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! solve BVP
|
! solve BVP
|
||||||
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
|
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr); CHKERRQ(ierr)
|
||||||
CHKERRQ(ierr)
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! check convergence
|
! check convergence
|
||||||
|
|
@ -282,7 +286,6 @@ type(tSolutionState) function basicPETSc_solution(incInfoIn,timeinc,timeinc_old,
|
||||||
terminallyIll = .false.
|
terminallyIll = .false.
|
||||||
if (reason == -4) call IO_error(893_pInt) ! MPI error
|
if (reason == -4) call IO_error(893_pInt) ! MPI error
|
||||||
|
|
||||||
|
|
||||||
end function BasicPETSc_solution
|
end function BasicPETSc_solution
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -298,7 +301,6 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
grid3
|
grid3
|
||||||
use math, only: &
|
use math, only: &
|
||||||
math_rotate_backward33, &
|
math_rotate_backward33, &
|
||||||
math_transpose33, &
|
|
||||||
math_mul3333xx33
|
math_mul3333xx33
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
debug_level, &
|
debug_level, &
|
||||||
|
|
@ -346,15 +348,15 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
||||||
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
||||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||||
' deformation gradient aim (lab) =', math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
|
' deformation gradient aim (lab) =', transpose(math_rotate_backward33(F_aim,params%rotation_BC))
|
||||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||||
' deformation gradient aim =', math_transpose33(F_aim)
|
' deformation gradient aim =', transpose(F_aim)
|
||||||
flush(6)
|
flush(6)
|
||||||
endif newIteration
|
endif newIteration
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! evaluate constitutive response
|
! evaluate constitutive response
|
||||||
call Utilities_constitutiveResponse(f_scal,P_av,C_volAvg,C_minmaxAvg, &
|
call Utilities_constitutiveResponse(f_scal,P_av,C_volAvg,C_minMaxAvg, &
|
||||||
x_scal,params%timeinc, params%rotation_BC)
|
x_scal,params%timeinc, params%rotation_BC)
|
||||||
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
|
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
|
||||||
|
|
||||||
|
|
@ -362,7 +364,7 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
! stress BC handling
|
! stress BC handling
|
||||||
deltaF_aim = math_mul3333xx33(S, P_av - params%stress_BC)
|
deltaF_aim = math_mul3333xx33(S, P_av - params%stress_BC)
|
||||||
F_aim = F_aim - deltaF_aim
|
F_aim = F_aim - deltaF_aim
|
||||||
err_stress = maxval(abs(mask_stress * (P_av - params%stress_BC))) ! mask = 0.0 when no stress bc
|
err_BC = maxval(abs(mask_stress * (P_av - params%stress_BC))) ! mask = 0.0 when no stress bc
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! updated deformation gradient using fix point algorithm of basic scheme
|
! updated deformation gradient using fix point algorithm of basic scheme
|
||||||
|
|
@ -406,14 +408,14 @@ subroutine BasicPETSc_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,du
|
||||||
PetscErrorCode :: ierr
|
PetscErrorCode :: ierr
|
||||||
real(pReal) :: &
|
real(pReal) :: &
|
||||||
divTol, &
|
divTol, &
|
||||||
stressTol
|
BCTol
|
||||||
|
|
||||||
divTol = max(maxval(abs(P_av))*err_div_tolRel ,err_div_tolAbs)
|
divTol = max(maxval(abs(P_av))*err_div_tolRel ,err_div_tolAbs)
|
||||||
stressTol = max(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs)
|
BCTol = max(maxval(abs(P_av))*err_stress_tolRel,err_stress_tolAbs)
|
||||||
|
|
||||||
converged: if ((totalIter >= itmin .and. &
|
converged: if ((totalIter >= itmin .and. &
|
||||||
all([ err_div/divTol, &
|
all([ err_div/divTol, &
|
||||||
err_stress/stressTol ] < 1.0_pReal)) &
|
err_BC /BCTol ] < 1.0_pReal)) &
|
||||||
.or. terminallyIll) then
|
.or. terminallyIll) then
|
||||||
reason = 1
|
reason = 1
|
||||||
elseif (totalIter >= itmax) then converged
|
elseif (totalIter >= itmax) then converged
|
||||||
|
|
@ -428,7 +430,7 @@ subroutine BasicPETSc_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,du
|
||||||
write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
||||||
err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')'
|
err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')'
|
||||||
write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
|
write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
|
||||||
err_stress/stressTol, ' (',err_stress, ' Pa, tol =',stressTol,')'
|
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
|
||||||
write(6,'(/,a)') ' ==========================================================================='
|
write(6,'(/,a)') ' ==========================================================================='
|
||||||
flush(6)
|
flush(6)
|
||||||
|
|
||||||
|
|
@ -476,7 +478,7 @@ subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation
|
||||||
real(pReal), dimension(3,3), intent(in) ::&
|
real(pReal), dimension(3,3), intent(in) ::&
|
||||||
rotation_BC
|
rotation_BC
|
||||||
PetscErrorCode :: ierr
|
PetscErrorCode :: ierr
|
||||||
PetscScalar, pointer :: F(:,:,:,:)
|
PetscScalar, dimension(:,:,:,:), pointer :: F
|
||||||
|
|
||||||
character(len=32) :: rankStr
|
character(len=32) :: rankStr
|
||||||
|
|
||||||
|
|
@ -497,10 +499,6 @@ subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation
|
||||||
write (777,rec=1) C_volAvg; close(777)
|
write (777,rec=1) C_volAvg; close(777)
|
||||||
call IO_write_jobRealFile(777,'C_volAvgLastInc',size(C_volAvgLastInc))
|
call IO_write_jobRealFile(777,'C_volAvgLastInc',size(C_volAvgLastInc))
|
||||||
write (777,rec=1) C_volAvgLastInc; close(777)
|
write (777,rec=1) C_volAvgLastInc; close(777)
|
||||||
call IO_write_jobRealFile(777,'C_minMaxAvg',size(C_volAvg))
|
|
||||||
write (777,rec=1) C_minMaxAvg; close(777)
|
|
||||||
call IO_write_jobRealFile(777,'C_minMaxAvgLastInc',size(C_volAvgLastInc))
|
|
||||||
write (777,rec=1) C_minMaxAvgLastInc; close(777)
|
|
||||||
call IO_write_jobRealFile(777,'F_aimDot',size(F_aimDot))
|
call IO_write_jobRealFile(777,'F_aimDot',size(F_aimDot))
|
||||||
write (777,rec=1) F_aimDot; close(777)
|
write (777,rec=1) F_aimDot; close(777)
|
||||||
endif
|
endif
|
||||||
|
|
@ -518,12 +516,9 @@ subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation
|
||||||
C_volAvgLastInc = C_volAvg
|
C_volAvgLastInc = C_volAvg
|
||||||
C_minMaxAvgLastInc = C_minMaxAvg
|
C_minMaxAvgLastInc = C_minMaxAvg
|
||||||
|
|
||||||
if (guess) then ! QUESTION: better with a = L ? x:y
|
F_aimDot = merge(stress_BC%maskFloat*(F_aim-F_aim_lastInc)/timeinc_old, 0.0_pReal, guess)
|
||||||
F_aimDot = stress_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old ! initialize with correction based on last inc
|
|
||||||
else
|
|
||||||
F_aimDot = 0.0_pReal
|
|
||||||
endif
|
|
||||||
F_aim_lastInc = F_aim
|
F_aim_lastInc = F_aim
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! calculate rate for aim
|
! calculate rate for aim
|
||||||
if (deformation_BC%myType=='l') then ! calculate F_aimDot from given L and current F
|
if (deformation_BC%myType=='l') then ! calculate F_aimDot from given L and current F
|
||||||
|
|
|
||||||
|
|
@ -43,7 +43,7 @@ module spectral_mech_Polarisation
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! stress, stiffness and compliance average etc.
|
! stress, stiffness and compliance average etc.
|
||||||
real(pReal), private, dimension(3,3) :: &
|
real(pReal), private, dimension(3,3) :: &
|
||||||
F_aimDot, & !< assumed rate of average deformation gradient
|
F_aimDot = 0.0_pReal, & !< assumed rate of average deformation gradient
|
||||||
F_aim = math_I3, & !< current prescribed deformation gradient
|
F_aim = math_I3, & !< current prescribed deformation gradient
|
||||||
F_aim_lastInc = math_I3, & !< previous average deformation gradient
|
F_aim_lastInc = math_I3, & !< previous average deformation gradient
|
||||||
F_av = 0.0_pReal, & !< average incompatible def grad field
|
F_av = 0.0_pReal, & !< average incompatible def grad field
|
||||||
|
|
@ -54,6 +54,7 @@ module spectral_mech_Polarisation
|
||||||
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
||||||
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
||||||
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
|
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
|
||||||
|
C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness
|
||||||
S = 0.0_pReal, & !< current compliance (filled up with zeros)
|
S = 0.0_pReal, & !< current compliance (filled up with zeros)
|
||||||
C_scale = 0.0_pReal, &
|
C_scale = 0.0_pReal, &
|
||||||
S_scale = 0.0_pReal
|
S_scale = 0.0_pReal
|
||||||
|
|
@ -62,7 +63,7 @@ module spectral_mech_Polarisation
|
||||||
err_BC, & !< deviation from stress BC
|
err_BC, & !< deviation from stress BC
|
||||||
err_curl, & !< RMS of curl of F
|
err_curl, & !< RMS of curl of F
|
||||||
err_div !< RMS of div of P
|
err_div !< RMS of div of P
|
||||||
logical, private :: ForwardData
|
|
||||||
integer(pInt), private :: &
|
integer(pInt), private :: &
|
||||||
totalIter = 0_pInt !< total iteration in current increment
|
totalIter = 0_pInt !< total iteration in current increment
|
||||||
|
|
||||||
|
|
@ -80,11 +81,11 @@ module spectral_mech_Polarisation
|
||||||
contains
|
contains
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief allocates all neccessary fields and fills them with data, potentially from restart info
|
!> @brief allocates all necessary fields and fills them with data, potentially from restart info
|
||||||
!> @todo use sourced allocation, e.g. allocate(Fdot,source = F_lastInc)
|
!> @todo use sourced allocation, e.g. allocate(Fdot,source = F_lastInc)
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine Polarisation_init
|
subroutine Polarisation_init
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
@ -102,12 +103,15 @@ subroutine Polarisation_init
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
worldrank, &
|
worldrank, &
|
||||||
worldsize
|
worldsize
|
||||||
|
use homogenization, only: &
|
||||||
|
materialpoint_F0
|
||||||
use DAMASK_interface, only: &
|
use DAMASK_interface, only: &
|
||||||
getSolverJobName
|
getSolverJobName
|
||||||
use spectral_utilities, only: &
|
use spectral_utilities, only: &
|
||||||
Utilities_constitutiveResponse, &
|
Utilities_constitutiveResponse, &
|
||||||
Utilities_updateGamma, &
|
Utilities_updateGamma, &
|
||||||
Utilities_updateIPcoords
|
Utilities_updateIPcoords, &
|
||||||
|
wgt
|
||||||
use mesh, only: &
|
use mesh, only: &
|
||||||
grid, &
|
grid, &
|
||||||
grid3
|
grid3
|
||||||
|
|
@ -120,7 +124,11 @@ subroutine Polarisation_init
|
||||||
temp33_Real = 0.0_pReal
|
temp33_Real = 0.0_pReal
|
||||||
|
|
||||||
PetscErrorCode :: ierr
|
PetscErrorCode :: ierr
|
||||||
PetscScalar, pointer, dimension(:,:,:,:) :: xx_psc, F, F_tau
|
PetscScalar, pointer, dimension(:,:,:,:) :: &
|
||||||
|
FandF_tau, & ! overall pointer to solution data
|
||||||
|
F, & ! specific (sub)pointer
|
||||||
|
F_tau ! specific (sub)pointer
|
||||||
|
|
||||||
integer(pInt), dimension(:), allocatable :: localK
|
integer(pInt), dimension(:), allocatable :: localK
|
||||||
integer(pInt) :: proc
|
integer(pInt) :: proc
|
||||||
character(len=1024) :: rankStr
|
character(len=1024) :: rankStr
|
||||||
|
|
@ -164,78 +172,69 @@ subroutine Polarisation_init
|
||||||
grid(1),grid(2),localK, & ! local grid
|
grid(1),grid(2),localK, & ! local grid
|
||||||
da,ierr) ! handle, error
|
da,ierr) ! handle, error
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
|
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) ! connect snes to da
|
||||||
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr)
|
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
|
||||||
call DMDASNESSetFunctionLocal(da,INSERT_VALUES,Polarisation_formResidual,PETSC_NULL_OBJECT,ierr)
|
call DMDASNESSetFunctionLocal(da,INSERT_VALUES,Polarisation_formResidual,PETSC_NULL_OBJECT,ierr) ! residual vector of same shape as solution vector
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
call SNESSetConvergenceTest(snes,Polarisation_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr)
|
call SNESSetConvergenceTest(snes,Polarisation_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr)
|
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! init fields
|
! init fields
|
||||||
call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! places pointer xx_psc on PETSc data
|
call DMDAVecGetArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) ! places pointer on PETSc data
|
||||||
F => xx_psc(0:8,:,:,:)
|
F => FandF_tau( 0: 8,:,:,:)
|
||||||
F_tau => xx_psc(9:17,:,:,:)
|
F_tau => FandF_tau( 9:17,:,:,:)
|
||||||
restart: if (restartInc > 1_pInt) then
|
restart: if (restartInc > 0_pInt) then
|
||||||
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0) &
|
if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0) then
|
||||||
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
|
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
|
||||||
'reading values of increment ', restartInc - 1_pInt, ' from file'
|
'reading values of increment ', restartInc, ' from file'
|
||||||
flush(6)
|
flush(6)
|
||||||
|
endif
|
||||||
write(rankStr,'(a1,i0)')'_',worldrank
|
write(rankStr,'(a1,i0)')'_',worldrank
|
||||||
call IO_read_realFile(777,'F'//trim(rankStr),trim(getSolverJobName()),size(F))
|
call IO_read_realFile(777,'F'//trim(rankStr),trim(getSolverJobName()),size(F))
|
||||||
read (777,rec=1) F
|
read (777,rec=1) F; close (777)
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'F_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lastInc))
|
call IO_read_realFile(777,'F_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lastInc))
|
||||||
read (777,rec=1) F_lastInc
|
read (777,rec=1) F_lastInc; close (777)
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'F_tau'//trim(rankStr),trim(getSolverJobName()),size(F_tau))
|
call IO_read_realFile(777,'F_tau'//trim(rankStr),trim(getSolverJobName()),size(F_tau))
|
||||||
read (777,rec=1) F_tau
|
read (777,rec=1) F_tau; close (777)
|
||||||
close (777)
|
call IO_read_realFile(777,'F_tau_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_tau_lastInc))
|
||||||
call IO_read_realFile(777,'F_tau_lastInc'//trim(rankStr),&
|
read (777,rec=1) F_tau_lastInc; close (777)
|
||||||
trim(getSolverJobName()),size(F_tau_lastInc))
|
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(F_aimDot))
|
||||||
read (777,rec=1) F_tau_lastInc
|
read (777,rec=1) F_aimDot; close (777)
|
||||||
close (777)
|
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
|
||||||
call IO_read_realFile(777,'F_aim', trim(getSolverJobName()),size(F_aim))
|
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
|
||||||
read (777,rec=1) F_aim
|
elseif (restartInc == 0_pInt) then restart
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'F_aim_lastInc', trim(getSolverJobName()),size(F_aim_lastInc))
|
|
||||||
read (777,rec=1) F_aim_lastInc
|
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(f_aimDot))
|
|
||||||
read (777,rec=1) f_aimDot
|
|
||||||
close (777)
|
|
||||||
elseif (restartInc == 1_pInt) then restart
|
|
||||||
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
||||||
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
||||||
F_tau = 2.0_pReal*F
|
F_tau = 2.0_pReal*F
|
||||||
F_tau_lastInc = 2.0_pReal*F_lastInc
|
F_tau_lastInc = 2.0_pReal*F_lastInc
|
||||||
endif restart
|
endif restart
|
||||||
|
|
||||||
|
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
|
||||||
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
|
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
|
||||||
call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, &
|
call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
|
||||||
reshape(F,shape(F_lastInc)),0.0_pReal,math_I3)
|
reshape(F,shape(F_lastInc)), & ! target F
|
||||||
|
0.0_pReal, & ! time increment
|
||||||
|
math_I3) ! no rotation of boundary condition
|
||||||
nullify(F)
|
nullify(F)
|
||||||
nullify(F_tau)
|
nullify(F_tau)
|
||||||
call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! write data back to PETSc
|
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) ! write data back to PETSc
|
||||||
|
|
||||||
restartRead: if (restartInc > 1_pInt) then
|
restartRead: if (restartInc > 0_pInt) then
|
||||||
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
|
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
|
||||||
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
|
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
|
||||||
'reading more values of increment', restartInc - 1_pInt, 'from file'
|
'reading more values of increment ', restartInc, ' from file'
|
||||||
flush(6)
|
flush(6)
|
||||||
call IO_read_realFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg))
|
call IO_read_realFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg))
|
||||||
read (777,rec=1) C_volAvg
|
read (777,rec=1) C_volAvg; close (777)
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'C_volAvgLastInc',trim(getSolverJobName()),size(C_volAvgLastInc))
|
call IO_read_realFile(777,'C_volAvgLastInc',trim(getSolverJobName()),size(C_volAvgLastInc))
|
||||||
read (777,rec=1) C_volAvgLastInc
|
read (777,rec=1) C_volAvgLastInc; close (777)
|
||||||
close (777)
|
|
||||||
call IO_read_realFile(777,'C_ref',trim(getSolverJobName()),size(C_minMaxAvg))
|
call IO_read_realFile(777,'C_ref',trim(getSolverJobName()),size(C_minMaxAvg))
|
||||||
read (777,rec=1) C_minMaxAvg
|
read (777,rec=1) C_minMaxAvg; close (777)
|
||||||
close (777)
|
|
||||||
endif restartRead
|
endif restartRead
|
||||||
|
|
||||||
call Utilities_updateGamma(C_minMaxAvg,.True.)
|
call Utilities_updateGamma(C_minMaxAvg,.true.)
|
||||||
C_scale = C_minMaxAvg
|
C_scale = C_minMaxAvg
|
||||||
S_scale = math_invSym3333(C_minMaxAvg)
|
S_scale = math_invSym3333(C_minMaxAvg)
|
||||||
|
|
||||||
|
|
@ -245,8 +244,7 @@ end subroutine Polarisation_init
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief solution for the Polarisation scheme with internal iterations
|
!> @brief solution for the Polarisation scheme with internal iterations
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
type(tSolutionState) function &
|
type(tSolutionState) function Polarisation_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC)
|
||||||
Polarisation_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC)
|
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
IO_error
|
IO_error
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
|
|
@ -265,13 +263,13 @@ type(tSolutionState) function &
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! input data for solution
|
! input data for solution
|
||||||
real(pReal), intent(in) :: &
|
|
||||||
timeinc, & !< increment in time for current solution
|
|
||||||
timeinc_old !< increment in time of last increment
|
|
||||||
type(tBoundaryCondition), intent(in) :: &
|
|
||||||
stress_BC
|
|
||||||
character(len=*), intent(in) :: &
|
character(len=*), intent(in) :: &
|
||||||
incInfoIn
|
incInfoIn
|
||||||
|
real(pReal), intent(in) :: &
|
||||||
|
timeinc, & !< increment time for current solution
|
||||||
|
timeinc_old !< increment time of last successful increment
|
||||||
|
type(tBoundaryCondition), intent(in) :: &
|
||||||
|
stress_BC
|
||||||
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
@ -304,18 +302,17 @@ type(tSolutionState) function &
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! solve BVP
|
! solve BVP
|
||||||
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
|
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr); CHKERRQ(ierr)
|
||||||
CHKERRQ(ierr)
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! check convergence
|
! check convergence
|
||||||
call SNESGetConvergedReason(snes,reason,ierr)
|
call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
|
||||||
CHKERRQ(ierr)
|
|
||||||
|
Polarisation_solution%converged = reason > 0
|
||||||
|
Polarisation_solution%iterationsNeeded = totalIter
|
||||||
Polarisation_solution%termIll = terminallyIll
|
Polarisation_solution%termIll = terminallyIll
|
||||||
terminallyIll = .false.
|
terminallyIll = .false.
|
||||||
if (reason == -4) call IO_error(893_pInt)
|
if (reason == -4) call IO_error(893_pInt) ! MPI error
|
||||||
if (reason < 1) Polarisation_solution%converged = .false.
|
|
||||||
Polarisation_solution%iterationsNeeded = totalIter
|
|
||||||
|
|
||||||
end function Polarisation_solution
|
end function Polarisation_solution
|
||||||
|
|
||||||
|
|
@ -330,16 +327,19 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
polarAlpha, &
|
polarAlpha, &
|
||||||
polarBeta
|
polarBeta
|
||||||
use mesh, only: &
|
use mesh, only: &
|
||||||
grid3, &
|
grid, &
|
||||||
grid
|
grid3
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
IO_intOut
|
IO_intOut
|
||||||
use math, only: &
|
use math, only: &
|
||||||
math_rotate_backward33, &
|
math_rotate_backward33, &
|
||||||
math_transpose33, &
|
|
||||||
math_mul3333xx33, &
|
math_mul3333xx33, &
|
||||||
math_invSym3333, &
|
math_invSym3333, &
|
||||||
math_mul33x33
|
math_mul33x33
|
||||||
|
use debug, only: &
|
||||||
|
debug_level, &
|
||||||
|
debug_spectral, &
|
||||||
|
debug_spectralRotation
|
||||||
use spectral_utilities, only: &
|
use spectral_utilities, only: &
|
||||||
wgt, &
|
wgt, &
|
||||||
tensorField_real, &
|
tensorField_real, &
|
||||||
|
|
@ -349,21 +349,13 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
Utilities_constitutiveResponse, &
|
Utilities_constitutiveResponse, &
|
||||||
Utilities_divergenceRMS, &
|
Utilities_divergenceRMS, &
|
||||||
Utilities_curlRMS
|
Utilities_curlRMS
|
||||||
use debug, only: &
|
|
||||||
debug_level, &
|
|
||||||
debug_spectral, &
|
|
||||||
debug_spectralRotation
|
|
||||||
use homogenization, only: &
|
use homogenization, only: &
|
||||||
materialpoint_dPdF
|
materialpoint_dPdF
|
||||||
use FEsolving, only: &
|
use FEsolving, only: &
|
||||||
terminallyIll
|
terminallyIll
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
!--------------------------------------------------------------------------------------------------
|
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in
|
||||||
! strange syntax in the next line because otherwise macros expand beyond 132 character limit
|
|
||||||
DMDALocalInfo, dimension(&
|
|
||||||
DMDA_LOCAL_INFO_SIZE) :: &
|
|
||||||
in
|
|
||||||
PetscScalar, &
|
PetscScalar, &
|
||||||
target, dimension(3,3,2, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: x_scal
|
target, dimension(3,3,2, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: x_scal
|
||||||
PetscScalar, &
|
PetscScalar, &
|
||||||
|
|
@ -394,24 +386,24 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
residual_F_tau => f_scal(1:3,1:3,2,&
|
residual_F_tau => f_scal(1:3,1:3,2,&
|
||||||
X_RANGE, Y_RANGE, Z_RANGE)
|
X_RANGE, Y_RANGE, Z_RANGE)
|
||||||
|
|
||||||
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
|
||||||
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
|
||||||
|
|
||||||
F_av = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt
|
F_av = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt
|
||||||
call MPI_Allreduce(MPI_IN_PLACE,F_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
call MPI_Allreduce(MPI_IN_PLACE,F_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||||
|
|
||||||
|
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
||||||
|
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
||||||
|
|
||||||
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
|
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
|
||||||
newIteration: if(totalIter <= PETScIter) then
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! report begin of new iteration
|
! begin of new iteration
|
||||||
|
newIteration: if (totalIter <= PETScIter) then
|
||||||
totalIter = totalIter + 1_pInt
|
totalIter = totalIter + 1_pInt
|
||||||
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
|
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') &
|
||||||
' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
||||||
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
||||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab) =', &
|
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||||
math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
|
' deformation gradient aim (lab) =', transpose(math_rotate_backward33(F_aim,params%rotation_BC))
|
||||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim =', &
|
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||||
math_transpose33(F_aim)
|
' deformation gradient aim =', transpose(F_aim)
|
||||||
flush(6)
|
flush(6)
|
||||||
endif newIteration
|
endif newIteration
|
||||||
|
|
||||||
|
|
@ -441,15 +433,13 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
call Utilities_constitutiveResponse(residual_F,P_av,C_volAvg,C_minMaxAvg, &
|
call Utilities_constitutiveResponse(residual_F,P_av,C_volAvg,C_minMaxAvg, &
|
||||||
F - residual_F_tau/polarBeta,params%timeinc,params%rotation_BC)
|
F - residual_F_tau/polarBeta,params%timeinc,params%rotation_BC)
|
||||||
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
|
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
|
||||||
ForwardData = .False.
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! calculate divergence
|
! calculate divergence
|
||||||
tensorField_real = 0.0_pReal
|
tensorField_real = 0.0_pReal
|
||||||
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residual_F
|
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residual_F !< stress field in disguise
|
||||||
call utilities_FFTtensorForward()
|
call utilities_FFTtensorForward()
|
||||||
err_div = Utilities_divergenceRMS()
|
err_div = Utilities_divergenceRMS() !< root mean squared error in divergence of stress
|
||||||
call utilities_FFTtensorBackward()
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! constructing residual
|
! constructing residual
|
||||||
|
|
@ -469,8 +459,11 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||||
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = F
|
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = F
|
||||||
call utilities_FFTtensorForward()
|
call utilities_FFTtensorForward()
|
||||||
err_curl = Utilities_curlRMS()
|
err_curl = Utilities_curlRMS()
|
||||||
call utilities_FFTtensorBackward()
|
|
||||||
|
|
||||||
|
nullify(F)
|
||||||
|
nullify(F_tau)
|
||||||
|
nullify(residual_F)
|
||||||
|
nullify(residual_F_tau)
|
||||||
end subroutine Polarisation_formResidual
|
end subroutine Polarisation_formResidual
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -485,8 +478,8 @@ subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,
|
||||||
err_div_tolAbs, &
|
err_div_tolAbs, &
|
||||||
err_curl_tolRel, &
|
err_curl_tolRel, &
|
||||||
err_curl_tolAbs, &
|
err_curl_tolAbs, &
|
||||||
err_stress_tolAbs, &
|
err_stress_tolRel, &
|
||||||
err_stress_tolRel
|
err_stress_tolAbs
|
||||||
use math, only: &
|
use math, only: &
|
||||||
math_mul3333xx33
|
math_mul3333xx33
|
||||||
use FEsolving, only: &
|
use FEsolving, only: &
|
||||||
|
|
@ -505,24 +498,24 @@ subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,
|
||||||
real(pReal) :: &
|
real(pReal) :: &
|
||||||
curlTol, &
|
curlTol, &
|
||||||
divTol, &
|
divTol, &
|
||||||
BC_tol
|
BCTol
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! stress BC handling
|
! stress BC handling
|
||||||
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc
|
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc
|
||||||
err_BC = maxval(abs((-mask_stress+1.0_pReal)*math_mul3333xx33(C_scale,F_aim-F_av) + &
|
err_BC = maxval(abs((1.0_pReal-mask_stress) * math_mul3333xx33(C_scale,F_aim-F_av) + &
|
||||||
mask_stress * (P_av-params%stress_BC))) ! mask = 0.0 for no bc
|
mask_stress * (P_av-params%stress_BC))) ! mask = 0.0 for no bc
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! error calculation
|
! error calculation
|
||||||
curlTol = max(maxval(abs(F_aim-math_I3))*err_curl_tolRel ,err_curl_tolAbs)
|
curlTol = max(maxval(abs(F_aim-math_I3))*err_curl_tolRel ,err_curl_tolAbs)
|
||||||
divTol = max(maxval(abs(P_av)) *err_div_tolRel ,err_div_tolAbs)
|
divTol = max(maxval(abs(P_av)) *err_div_tolRel ,err_div_tolAbs)
|
||||||
BC_tol = max(maxval(abs(P_av)) *err_stress_tolrel,err_stress_tolabs)
|
BCTol = max(maxval(abs(P_av)) *err_stress_tolRel,err_stress_tolAbs)
|
||||||
|
|
||||||
converged: if ((totalIter >= itmin .and. &
|
converged: if ((totalIter >= itmin .and. &
|
||||||
all([ err_div /divTol, &
|
all([ err_div /divTol, &
|
||||||
err_curl/curlTol, &
|
err_curl/curlTol, &
|
||||||
err_BC/BC_tol ] < 1.0_pReal)) &
|
err_BC /BCTol ] < 1.0_pReal)) &
|
||||||
.or. terminallyIll) then
|
.or. terminallyIll) then
|
||||||
reason = 1
|
reason = 1
|
||||||
elseif (totalIter >= itmax) then converged
|
elseif (totalIter >= itmax) then converged
|
||||||
|
|
@ -534,12 +527,12 @@ subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! report
|
! report
|
||||||
write(6,'(1/,a)') ' ... reporting .............................................................'
|
write(6,'(1/,a)') ' ... reporting .............................................................'
|
||||||
write(6,'(/,a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', &
|
write(6,'(/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
||||||
err_curl/curlTol,' (',err_curl,' -, tol =',curlTol,')'
|
|
||||||
write(6,' (a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
|
||||||
err_div/divTol, ' (',err_div, ' / m, tol = ',divTol,')'
|
err_div/divTol, ' (',err_div, ' / m, tol = ',divTol,')'
|
||||||
|
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', &
|
||||||
|
err_curl/curlTol,' (',err_curl,' -, tol = ',curlTol,')'
|
||||||
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', &
|
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', &
|
||||||
err_BC/BC_tol, ' (',err_BC, ' Pa, tol =',BC_tol,')'
|
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
|
||||||
write(6,'(/,a)') ' ==========================================================================='
|
write(6,'(/,a)') ' ==========================================================================='
|
||||||
flush(6)
|
flush(6)
|
||||||
|
|
||||||
|
|
@ -547,18 +540,23 @@ end subroutine Polarisation_converged
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief forwarding routine
|
!> @brief forwarding routine
|
||||||
|
!> @details find new boundary conditions and best F estimate for end of current timestep
|
||||||
|
!> possibly writing restart information, triggering of state increment in DAMASK, and updating of IPcoordinates
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine Polarisation_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
|
subroutine Polarisation_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
|
||||||
use math, only: &
|
use math, only: &
|
||||||
math_mul33x33, &
|
math_mul33x33, &
|
||||||
math_mul3333xx33, &
|
math_mul3333xx33, &
|
||||||
math_transpose33, &
|
|
||||||
math_rotate_backward33
|
math_rotate_backward33
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
worldrank
|
worldrank
|
||||||
|
use homogenization, only: &
|
||||||
|
materialpoint_F0
|
||||||
use mesh, only: &
|
use mesh, only: &
|
||||||
grid3, &
|
grid, &
|
||||||
grid
|
grid3
|
||||||
|
use CPFEM2, only: &
|
||||||
|
CPFEM_age
|
||||||
use spectral_utilities, only: &
|
use spectral_utilities, only: &
|
||||||
Utilities_calculateRate, &
|
Utilities_calculateRate, &
|
||||||
Utilities_forwardField, &
|
Utilities_forwardField, &
|
||||||
|
|
@ -571,6 +569,8 @@ subroutine Polarisation_forward(guess,timeinc,timeinc_old,loadCaseTime,deformati
|
||||||
restartWrite
|
restartWrite
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
|
logical, intent(in) :: &
|
||||||
|
guess
|
||||||
real(pReal), intent(in) :: &
|
real(pReal), intent(in) :: &
|
||||||
timeinc_old, &
|
timeinc_old, &
|
||||||
timeinc, &
|
timeinc, &
|
||||||
|
|
@ -578,111 +578,108 @@ subroutine Polarisation_forward(guess,timeinc,timeinc_old,loadCaseTime,deformati
|
||||||
type(tBoundaryCondition), intent(in) :: &
|
type(tBoundaryCondition), intent(in) :: &
|
||||||
stress_BC, &
|
stress_BC, &
|
||||||
deformation_BC
|
deformation_BC
|
||||||
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
real(pReal), dimension(3,3), intent(in) ::&
|
||||||
logical, intent(in) :: &
|
rotation_BC
|
||||||
guess
|
|
||||||
PetscErrorCode :: ierr
|
PetscErrorCode :: ierr
|
||||||
PetscScalar, dimension(:,:,:,:), pointer :: xx_psc, F, F_tau
|
PetscScalar, dimension(:,:,:,:), pointer :: FandF_tau, F, F_tau
|
||||||
integer(pInt) :: i, j, k
|
integer(pInt) :: i, j, k
|
||||||
real(pReal), dimension(3,3) :: F_lambda33
|
real(pReal), dimension(3,3) :: F_lambda33
|
||||||
character(len=1024) :: rankStr
|
character(len=32) :: rankStr
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! update coordinates and rate and forward last inc
|
! update coordinates and rate and forward last inc
|
||||||
call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr)
|
call DMDAVecGetArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr)
|
||||||
F => xx_psc(0:8,:,:,:)
|
F => FandF_tau( 0: 8,:,:,:)
|
||||||
F_tau => xx_psc(9:17,:,:,:)
|
F_tau => FandF_tau( 9:17,:,:,:)
|
||||||
if (restartWrite) then
|
|
||||||
write(6,'(/,a)') ' writing converged results for restart'
|
|
||||||
flush(6)
|
|
||||||
write(rankStr,'(a1,i0)')'_',worldrank
|
|
||||||
call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file
|
|
||||||
write (777,rec=1) F
|
|
||||||
close (777)
|
|
||||||
call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file
|
|
||||||
write (777,rec=1) F_lastInc
|
|
||||||
close (777)
|
|
||||||
call IO_write_jobRealFile(777,'F_tau'//trim(rankStr),size(F_tau)) ! writing deformation gradient field to file
|
|
||||||
write (777,rec=1) F_tau
|
|
||||||
close (777)
|
|
||||||
call IO_write_jobRealFile(777,'F_tau_lastInc'//trim(rankStr),size(F_tau_lastInc)) ! writing F_lastInc field to file
|
|
||||||
write (777,rec=1) F_tau_lastInc
|
|
||||||
close (777)
|
|
||||||
if (worldrank == 0_pInt) then
|
|
||||||
call IO_write_jobRealFile(777,'F_aim',size(F_aim))
|
|
||||||
write (777,rec=1) F_aim
|
|
||||||
close(777)
|
|
||||||
call IO_write_jobRealFile(777,'F_aim_lastInc',size(F_aim_lastInc))
|
|
||||||
write (777,rec=1) F_aim_lastInc
|
|
||||||
close (777)
|
|
||||||
call IO_write_jobRealFile(777,'F_aimDot',size(F_aimDot))
|
|
||||||
write (777,rec=1) F_aimDot
|
|
||||||
close(777)
|
|
||||||
call IO_write_jobRealFile(777,'C_volAvg',size(C_volAvg))
|
|
||||||
write (777,rec=1) C_volAvg
|
|
||||||
close(777)
|
|
||||||
call IO_write_jobRealFile(777,'C_volAvgLastInc',size(C_volAvgLastInc))
|
|
||||||
write (777,rec=1) C_volAvgLastInc
|
|
||||||
close(777)
|
|
||||||
endif
|
|
||||||
endif
|
|
||||||
|
|
||||||
call utilities_updateIPcoords(F)
|
|
||||||
|
|
||||||
if (cutBack) then
|
if (cutBack) then
|
||||||
F_aim = F_aim_lastInc
|
C_volAvg = C_volAvgLastInc ! QUESTION: where is this required?
|
||||||
F_tau= reshape(F_tau_lastInc,[9,grid(1),grid(2),grid3])
|
C_minMaxAvg = C_minMaxAvgLastInc ! QUESTION: where is this required?
|
||||||
F = reshape(F_lastInc, [9,grid(1),grid(2),grid3])
|
|
||||||
C_volAvg = C_volAvgLastInc
|
|
||||||
else
|
else
|
||||||
ForwardData = .True.
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! restart information for spectral solver
|
||||||
|
if (restartWrite) then ! QUESTION: where is this logical properly set?
|
||||||
|
write(6,'(/,a)') ' writing converged results for restart'
|
||||||
|
flush(6)
|
||||||
|
|
||||||
|
if (worldrank == 0_pInt) then
|
||||||
|
call IO_write_jobRealFile(777,'C_volAvg',size(C_volAvg))
|
||||||
|
write (777,rec=1) C_volAvg; close(777)
|
||||||
|
call IO_write_jobRealFile(777,'C_volAvgLastInc',size(C_volAvgLastInc))
|
||||||
|
write (777,rec=1) C_volAvgLastInc; close(777)
|
||||||
|
call IO_write_jobRealFile(777,'F_aimDot',size(F_aimDot))
|
||||||
|
write (777,rec=1) F_aimDot; close(777)
|
||||||
|
endif
|
||||||
|
|
||||||
|
write(rankStr,'(a1,i0)')'_',worldrank
|
||||||
|
call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file
|
||||||
|
write (777,rec=1) F; close (777)
|
||||||
|
call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file
|
||||||
|
write (777,rec=1) F_lastInc; close (777)
|
||||||
|
call IO_write_jobRealFile(777,'F_tau'//trim(rankStr),size(F_tau)) ! writing deformation gradient field to file
|
||||||
|
write (777,rec=1) F_tau; close (777)
|
||||||
|
call IO_write_jobRealFile(777,'F_tau_lastInc'//trim(rankStr),size(F_tau_lastInc)) ! writing F_tau_lastInc field to file
|
||||||
|
write (777,rec=1) F_tau_lastInc; close (777)
|
||||||
|
endif
|
||||||
|
|
||||||
|
call CPFEM_age() ! age state and kinematics
|
||||||
|
call utilities_updateIPcoords(F)
|
||||||
|
|
||||||
C_volAvgLastInc = C_volAvg
|
C_volAvgLastInc = C_volAvg
|
||||||
|
C_minMaxAvgLastInc = C_minMaxAvg
|
||||||
|
|
||||||
|
F_aimDot = merge(stress_BC%maskFloat*(F_aim-F_aim_lastInc)/timeinc_old, 0.0_pReal, guess)
|
||||||
|
F_aim_lastInc = F_aim
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! calculate rate for aim
|
! calculate rate for aim
|
||||||
if (deformation_BC%myType=='l') then ! calculate f_aimDot from given L and current F
|
if (deformation_BC%myType=='l') then ! calculate F_aimDot from given L and current F
|
||||||
f_aimDot = deformation_BC%maskFloat * math_mul33x33(deformation_BC%values, F_aim)
|
F_aimDot = &
|
||||||
elseif(deformation_BC%myType=='fdot') then ! f_aimDot is prescribed
|
F_aimDot + deformation_BC%maskFloat * math_mul33x33(deformation_BC%values, F_aim_lastInc)
|
||||||
f_aimDot = deformation_BC%maskFloat * deformation_BC%values
|
elseif(deformation_BC%myType=='fdot') then ! F_aimDot is prescribed
|
||||||
|
F_aimDot = &
|
||||||
|
F_aimDot + deformation_BC%maskFloat * deformation_BC%values
|
||||||
elseif (deformation_BC%myType=='f') then ! aim at end of load case is prescribed
|
elseif (deformation_BC%myType=='f') then ! aim at end of load case is prescribed
|
||||||
f_aimDot = deformation_BC%maskFloat * (deformation_BC%values -F_aim)/loadCaseTime
|
F_aimDot = &
|
||||||
|
F_aimDot + deformation_BC%maskFloat * (deformation_BC%values - F_aim_lastInc)/loadCaseTime
|
||||||
endif
|
endif
|
||||||
if (guess) f_aimDot = f_aimDot + stress_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old
|
|
||||||
F_aim_lastInc = F_aim
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! update coordinates and rate and forward last inc
|
|
||||||
call utilities_updateIPcoords(F)
|
|
||||||
Fdot = Utilities_calculateRate(guess, &
|
Fdot = Utilities_calculateRate(guess, &
|
||||||
F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]),timeinc_old, &
|
F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]),timeinc_old, &
|
||||||
math_rotate_backward33( f_aimDot,rotation_BC))
|
math_rotate_backward33(F_aimDot,rotation_BC))
|
||||||
F_tauDot = Utilities_calculateRate(guess, &
|
F_tauDot = Utilities_calculateRate(guess, &
|
||||||
F_tau_lastInc,reshape(F_tau,[3,3,grid(1),grid(2),grid3]), timeinc_old, &
|
F_tau_lastInc,reshape(F_tau,[3,3,grid(1),grid(2),grid3]), timeinc_old, &
|
||||||
math_rotate_backward33(2.0_pReal*f_aimDot,rotation_BC))
|
math_rotate_backward33(F_aimDot,rotation_BC))
|
||||||
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3])
|
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3]) ! winding F forward
|
||||||
F_tau_lastInc = reshape(F_tau,[3,3,grid(1),grid(2),grid3])
|
F_tau_lastInc = reshape(F_tau, [3,3,grid(1),grid(2),grid3]) ! winding F_tau forward
|
||||||
|
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
|
||||||
endif
|
endif
|
||||||
|
|
||||||
F_aim = F_aim + f_aimDot * timeinc
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! update local deformation gradient
|
! update average and local deformation gradients
|
||||||
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! ensure that it matches rotated F_aim
|
F_aim = F_aim_lastInc + F_aimDot * timeinc
|
||||||
|
|
||||||
|
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average
|
||||||
math_rotate_backward33(F_aim,rotation_BC)),&
|
math_rotate_backward33(F_aim,rotation_BC)),&
|
||||||
[9,grid(1),grid(2),grid3])
|
[9,grid(1),grid(2),grid3])
|
||||||
F_tau = reshape(Utilities_forwardField(timeinc,F_tau_lastInc,F_taudot), & ! does not have any average value as boundary condition
|
if (guess) then
|
||||||
[9,grid(1),grid(2),grid3])
|
F_tau = reshape(Utilities_forwardField(timeinc,F_tau_lastInc,F_taudot), &
|
||||||
if (.not. guess) then ! large strain forwarding
|
[9,grid(1),grid(2),grid3]) ! does not have any average value as boundary condition
|
||||||
|
else
|
||||||
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
|
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
|
||||||
F_lambda33 = reshape(F_tau(1:9,i,j,k)-F(1:9,i,j,k),[3,3])
|
F_lambda33 = reshape(F_tau(1:9,i,j,k)-F(1:9,i,j,k),[3,3])
|
||||||
F_lambda33 = math_mul3333xx33(S_scale,math_mul33x33(F_lambda33, &
|
F_lambda33 = math_mul3333xx33(S_scale,math_mul33x33(F_lambda33, &
|
||||||
math_mul3333xx33(C_scale,&
|
math_mul3333xx33(C_scale,&
|
||||||
math_mul33x33(math_transpose33(F_lambda33),&
|
math_mul33x33(transpose(F_lambda33),&
|
||||||
F_lambda33)-math_I3))*0.5_pReal)&
|
F_lambda33)-math_I3))*0.5_pReal)&
|
||||||
+ math_I3
|
+ math_I3
|
||||||
F_tau(1:9,i,j,k) = reshape(F_lambda33,[9])+F(1:9,i,j,k)
|
F_tau(1:9,i,j,k) = reshape(F_lambda33,[9])+F(1:9,i,j,k)
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
endif
|
endif
|
||||||
call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr)
|
|
||||||
|
nullify(F)
|
||||||
|
nullify(F_tau)
|
||||||
|
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr)
|
||||||
|
|
||||||
end subroutine Polarisation_forward
|
end subroutine Polarisation_forward
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -60,7 +60,7 @@ contains
|
||||||
!> @brief allocates all neccessary fields and fills them with data, potentially from restart info
|
!> @brief allocates all neccessary fields and fills them with data, potentially from restart info
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine spectral_thermal_init
|
subroutine spectral_thermal_init
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -70,7 +70,6 @@ module spectral_utilities
|
||||||
! derived types
|
! derived types
|
||||||
type, public :: tSolutionState !< return type of solution from spectral solver variants
|
type, public :: tSolutionState !< return type of solution from spectral solver variants
|
||||||
logical :: converged = .true.
|
logical :: converged = .true.
|
||||||
logical :: regrid = .false.
|
|
||||||
logical :: stagConverged = .true.
|
logical :: stagConverged = .true.
|
||||||
logical :: termIll = .false.
|
logical :: termIll = .false.
|
||||||
integer(pInt) :: iterationsNeeded = 0_pInt
|
integer(pInt) :: iterationsNeeded = 0_pInt
|
||||||
|
|
@ -145,8 +144,7 @@ module spectral_utilities
|
||||||
FIELD_UNDEFINED_ID, &
|
FIELD_UNDEFINED_ID, &
|
||||||
FIELD_MECH_ID, &
|
FIELD_MECH_ID, &
|
||||||
FIELD_THERMAL_ID, &
|
FIELD_THERMAL_ID, &
|
||||||
FIELD_DAMAGE_ID, &
|
FIELD_DAMAGE_ID
|
||||||
utilities_calcPlasticity
|
|
||||||
private :: &
|
private :: &
|
||||||
utilities_getFreqDerivative
|
utilities_getFreqDerivative
|
||||||
|
|
||||||
|
|
@ -154,14 +152,14 @@ contains
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief allocates all neccessary fields, sets debug flags, create plans for FFTW
|
!> @brief allocates all neccessary fields, sets debug flags, create plans for FFTW
|
||||||
!> @details Sets the debug levels for general, divergence, restart and FFTW from the biwise coding
|
!> @details Sets the debug levels for general, divergence, restart, and FFTW from the bitwise coding
|
||||||
!> provided by the debug module to logicals.
|
!> provided by the debug module to logicals.
|
||||||
!> Allocates all fields used by FFTW and create the corresponding plans depending on the debug
|
!> Allocate all fields used by FFTW and create the corresponding plans depending on the debug
|
||||||
!> level chosen.
|
!> level chosen.
|
||||||
!> Initializes FFTW.
|
!> Initializes FFTW.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine utilities_init()
|
subroutine utilities_init()
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
@ -378,10 +376,10 @@ end subroutine utilities_init
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief updates references stiffness and potentially precalculated gamma operator
|
!> @brief updates reference stiffness and potentially precalculated gamma operator
|
||||||
!> @details Sets the current reference stiffness to the stiffness given as an argument.
|
!> @details Sets the current reference stiffness to the stiffness given as an argument.
|
||||||
!> If the gamma operator is precalculated, it is calculated with this stiffness.
|
!> If the gamma operator is precalculated, it is calculated with this stiffness.
|
||||||
!> In case of a on-the-fly calculation, only the reference stiffness is updated.
|
!> In case of an on-the-fly calculation, only the reference stiffness is updated.
|
||||||
!> Also writes out the current reference stiffness for restart.
|
!> Also writes out the current reference stiffness for restart.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine utilities_updateGamma(C,saveReference)
|
subroutine utilities_updateGamma(C,saveReference)
|
||||||
|
|
@ -414,8 +412,7 @@ subroutine utilities_updateGamma(C,saveReference)
|
||||||
write(6,'(/,a)') ' writing reference stiffness to file'
|
write(6,'(/,a)') ' writing reference stiffness to file'
|
||||||
flush(6)
|
flush(6)
|
||||||
call IO_write_jobRealFile(777,'C_ref',size(C_ref))
|
call IO_write_jobRealFile(777,'C_ref',size(C_ref))
|
||||||
write (777,rec=1) C_ref
|
write (777,rec=1) C_ref; close(777)
|
||||||
close(777)
|
|
||||||
endif
|
endif
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
|
@ -784,7 +781,7 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
||||||
if(debugGeneral) then
|
if(debugGeneral) then
|
||||||
write(6,'(/,a)') ' ... updating masked compliance ............................................'
|
write(6,'(/,a)') ' ... updating masked compliance ............................................'
|
||||||
write(6,'(/,a,/,9(9(2x,f12.7,1x)/))',advance='no') ' Stiffness C (load) / GPa =',&
|
write(6,'(/,a,/,9(9(2x,f12.7,1x)/))',advance='no') ' Stiffness C (load) / GPa =',&
|
||||||
transpose(temp99_Real)/1.e9_pReal
|
transpose(temp99_Real)*1.0e-9_pReal
|
||||||
flush(6)
|
flush(6)
|
||||||
endif
|
endif
|
||||||
k = 0_pInt ! calculate reduced stiffness
|
k = 0_pInt ! calculate reduced stiffness
|
||||||
|
|
@ -823,7 +820,6 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
||||||
.or. (m/=n .and. abs(sTimesC(m,n)) > 1.0e-12_pReal) ! off-diagonal elements of S*C should be 0
|
.or. (m/=n .and. abs(sTimesC(m,n)) > 1.0e-12_pReal) ! off-diagonal elements of S*C should be 0
|
||||||
enddo
|
enddo
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
if (debugGeneral .or. errmatinv) then
|
if (debugGeneral .or. errmatinv) then
|
||||||
write(formatString, '(i2)') size_reduced
|
write(formatString, '(i2)') size_reduced
|
||||||
formatString = '(/,a,/,'//trim(formatString)//'('//trim(formatString)//'(2x,es9.2,1x)/))'
|
formatString = '(/,a,/,'//trim(formatString)//'('//trim(formatString)//'(2x,es9.2,1x)/))'
|
||||||
|
|
@ -838,13 +834,11 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
||||||
else
|
else
|
||||||
temp99_real = 0.0_pReal
|
temp99_real = 0.0_pReal
|
||||||
endif
|
endif
|
||||||
|
|
||||||
if(debugGeneral) then
|
if(debugGeneral) then
|
||||||
write(6,'(/,a,/,9(9(2x,f10.5,1x)/),/)',advance='no') &
|
write(6,'(/,a,/,9(9(2x,f10.5,1x)/),/)',advance='no') &
|
||||||
' Masked Compliance (load) / GPa =', transpose(temp99_Real*1.e-9_pReal)
|
' Masked Compliance (load) * GPa =', transpose(temp99_Real)*1.0e9_pReal
|
||||||
flush(6)
|
flush(6)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
utilities_maskedCompliance = math_Plain99to3333(temp99_Real)
|
utilities_maskedCompliance = math_Plain99to3333(temp99_Real)
|
||||||
|
|
||||||
end function utilities_maskedCompliance
|
end function utilities_maskedCompliance
|
||||||
|
|
@ -940,7 +934,6 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
|
||||||
debug_reset, &
|
debug_reset, &
|
||||||
debug_info
|
debug_info
|
||||||
use math, only: &
|
use math, only: &
|
||||||
math_transpose33, &
|
|
||||||
math_rotate_forward33, &
|
math_rotate_forward33, &
|
||||||
math_det33
|
math_det33
|
||||||
use mesh, only: &
|
use mesh, only: &
|
||||||
|
|
@ -999,10 +992,10 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
|
||||||
call MPI_Allreduce(MPI_IN_PLACE,P_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
call MPI_Allreduce(MPI_IN_PLACE,P_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||||
if (debugRotation) &
|
if (debugRotation) &
|
||||||
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress (lab) / MPa =',&
|
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress (lab) / MPa =',&
|
||||||
math_transpose33(P_av)*1.e-6_pReal
|
transpose(P_av)*1.e-6_pReal
|
||||||
P_av = math_rotate_forward33(P_av,rotation_BC)
|
P_av = math_rotate_forward33(P_av,rotation_BC)
|
||||||
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',&
|
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',&
|
||||||
math_transpose33(P_av)*1.e-6_pReal
|
transpose(P_av)*1.e-6_pReal
|
||||||
flush(6)
|
flush(6)
|
||||||
|
|
||||||
max_dPdF = 0.0_pReal
|
max_dPdF = 0.0_pReal
|
||||||
|
|
@ -1034,125 +1027,6 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
|
||||||
|
|
||||||
end subroutine utilities_constitutiveResponse
|
end subroutine utilities_constitutiveResponse
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief calculates yield stress, plastic strain, total strain and their equivalent values
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
subroutine utilities_calcPlasticity(yieldStress, plasticStrain, eqStress, eqTotalStrain, &
|
|
||||||
eqPlasticStrain, plasticWork, rotation_BC)
|
|
||||||
use crystallite, only: &
|
|
||||||
crystallite_Fe, &
|
|
||||||
crystallite_P, &
|
|
||||||
crystallite_subF
|
|
||||||
use material, only: &
|
|
||||||
homogenization_maxNgrains
|
|
||||||
use mesh, only: &
|
|
||||||
mesh_maxNips,&
|
|
||||||
mesh_NcpElems
|
|
||||||
use math, only: &
|
|
||||||
math_det33, &
|
|
||||||
math_inv33, &
|
|
||||||
math_mul33x33, &
|
|
||||||
math_trace33, &
|
|
||||||
math_transpose33, &
|
|
||||||
math_equivStrain33, &
|
|
||||||
math_equivStress33, &
|
|
||||||
math_rotate_forward33, &
|
|
||||||
math_identity2nd, &
|
|
||||||
math_crossproduct, &
|
|
||||||
math_eigenvectorBasisSym, &
|
|
||||||
math_eigenvectorBasisSym33, &
|
|
||||||
math_eigenvectorBasisSym33_log, &
|
|
||||||
math_eigenValuesVectorsSym33
|
|
||||||
|
|
||||||
implicit none
|
|
||||||
|
|
||||||
real(pReal), intent(inout) :: eqStress, eqPlasticStrain, plasticWork
|
|
||||||
real(pReal), intent(out) :: eqTotalStrain
|
|
||||||
real(pReal), dimension(3,3),intent(out) :: yieldStress, plasticStrain
|
|
||||||
real(pReal), intent(in), dimension(3,3) :: rotation_BC !< rotation of load frame
|
|
||||||
real(pReal), dimension(3,3) :: cauchy, P_av, F_av, Ve_av !< average
|
|
||||||
real(pReal), dimension(3) :: Values, S
|
|
||||||
real(pReal), dimension(3,3) :: Vectors, diag
|
|
||||||
real(pReal), dimension(3,3) :: &
|
|
||||||
Vp, F_temp, U, VT, R, V, V_total
|
|
||||||
real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
|
|
||||||
Be, Ve, Fe
|
|
||||||
real(pReal), dimension(15) :: WORK !< previous deformation gradient
|
|
||||||
integer(pInt) :: INFO, i, j, k, l, ierr
|
|
||||||
real(pReal) :: wgtm
|
|
||||||
real(pReal) :: eqStressOld, eqPlasticStrainOld, plasticWorkOld
|
|
||||||
|
|
||||||
external :: dgesvd
|
|
||||||
|
|
||||||
eqStressOld = eqStress
|
|
||||||
eqPlasticStrainOld = eqPlasticStrain
|
|
||||||
plasticWorkOld = plasticWork
|
|
||||||
wgtm = 1.0_pReal/real(mesh_NcpElems*mesh_maxNips*homogenization_maxNgrains,pReal)
|
|
||||||
diag = 0.0_pReal
|
|
||||||
|
|
||||||
P_av = sum(sum(sum(crystallite_P,dim=5),dim=4),dim=3) * wgtm
|
|
||||||
call MPI_Allreduce(MPI_IN_PLACE,P_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
|
||||||
P_av = math_rotate_forward33(P_av,rotation_BC)
|
|
||||||
|
|
||||||
F_av = sum(sum(sum(crystallite_subF,dim=5),dim=4),dim=3) * wgtm
|
|
||||||
call MPI_Allreduce(MPI_IN_PLACE,F_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
|
||||||
F_av = math_rotate_forward33(F_av,rotation_BC)
|
|
||||||
|
|
||||||
cauchy = 1.0_pReal/math_det33(F_av)*math_mul33x33(P_av,transpose(F_av))
|
|
||||||
yieldStress = cauchy
|
|
||||||
eqStress = math_equivStress33(cauchy)
|
|
||||||
|
|
||||||
F_temp = F_av
|
|
||||||
call dgesvd ('A', 'A', 3, 3, F_temp, 3, S, U, 3, VT, 3, WORK, 15, INFO) ! singular value decomposition
|
|
||||||
|
|
||||||
R = math_mul33x33(U, VT) ! rotation of polar decomposition
|
|
||||||
V = math_mul33x33(F_av,math_inv33(R))
|
|
||||||
|
|
||||||
call math_eigenValuesVectorsSym33(V,Values,Vectors)
|
|
||||||
do l = 1_pInt, 3_pInt
|
|
||||||
if (Values(l) < 0.0_pReal) then
|
|
||||||
Values(l) = -Values(l)
|
|
||||||
Vectors(1:3, l) = -Vectors(1:3, l)
|
|
||||||
endif
|
|
||||||
Values(l) = log(Values(l))
|
|
||||||
diag(l,l) = Values(l)
|
|
||||||
enddo
|
|
||||||
if (dot_product(Vectors(1:3,1),Vectors(1:3,2)) /= 0) then
|
|
||||||
Vectors(1:3,2) = math_crossproduct(Vectors(1:3,3), Vectors(1:3,1))
|
|
||||||
Vectors(1:3,2) = Vectors(1:3,2)/sqrt(dot_product(Vectors(1:3,2),Vectors(1:3,2)))
|
|
||||||
endif
|
|
||||||
if (dot_product(Vectors(1:3,2),Vectors(1:3,3)) /= 0) then
|
|
||||||
Vectors(1:3,3) = math_crossproduct(Vectors(1:3,1), Vectors(1:3,2))
|
|
||||||
Vectors(1:3,3) = Vectors(1:3,3)/sqrt(dot_product(Vectors(1:3,3),Vectors(1:3,3)))
|
|
||||||
endif
|
|
||||||
if (dot_product(Vectors(1:3,3),Vectors(1:3,1)) /= 0) then
|
|
||||||
Vectors(1:3,1) = math_crossproduct(Vectors(1:3,2), Vectors(1:3,3))
|
|
||||||
Vectors(1:3,1) = Vectors(1:3,1)/sqrt(dot_product(Vectors(1:3,1),Vectors(1:3,1)))
|
|
||||||
endif
|
|
||||||
|
|
||||||
V_total = REAL(math_mul33x33(Vectors, math_mul33x33(diag, transpose(Vectors))))
|
|
||||||
eqTotalStrain = math_equivStrain33(V_total)
|
|
||||||
|
|
||||||
do k = 1_pInt, mesh_NcpElems; do j = 1_pInt, mesh_maxNips; do i = 1_pInt,homogenization_maxNgrains
|
|
||||||
Fe(1:3,1:3,i,j,k) = crystallite_Fe(1:3,1:3,i,j,k)
|
|
||||||
Fe(1:3,1:3,i,j,k) = math_rotate_forward33(Fe(1:3,1:3,i,j,k),rotation_BC)
|
|
||||||
Be(1:3,1:3,i,j,k) = math_mul33x33(Fe(1:3,1:3,i,j,k),math_transpose33(Fe(1:3,1:3,i,j,k))) ! elastic part of left Cauchy–Green deformation tensor
|
|
||||||
Ve(1:3,1:3,i,j,k) = math_eigenvectorBasisSym33_log(Be(1:3,1:3,i,j,k))
|
|
||||||
enddo; enddo; enddo
|
|
||||||
|
|
||||||
Ve_av = sum(sum(sum(Ve,dim=5),dim=4),dim=3) * wgtm
|
|
||||||
call MPI_Allreduce(MPI_IN_PLACE,Ve_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
|
||||||
|
|
||||||
Vp = V_total - Ve_av
|
|
||||||
|
|
||||||
eqPlasticStrain = math_equivStrain33(Vp)
|
|
||||||
|
|
||||||
plasticStrain = Vp
|
|
||||||
|
|
||||||
plasticWork = plasticWorkOld + 0.5*(eqStressOld + eqStress) * (eqPlasticStrain - eqPlasticStrainOld)
|
|
||||||
|
|
||||||
end subroutine utilities_calcPlasticity
|
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief calculates forward rate, either guessing or just add delta/timeinc
|
!> @brief calculates forward rate, either guessing or just add delta/timeinc
|
||||||
|
|
|
||||||
|
|
@ -46,7 +46,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine thermal_adiabatic_init(fileUnit)
|
subroutine thermal_adiabatic_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -47,7 +47,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine thermal_conduction_init(fileUnit)
|
subroutine thermal_conduction_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -16,7 +16,7 @@ contains
|
||||||
!> @brief allocates all neccessary fields, reads information from material configuration file
|
!> @brief allocates all neccessary fields, reads information from material configuration file
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine thermal_isothermal_init()
|
subroutine thermal_isothermal_init()
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -61,7 +61,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine vacancyflux_cahnhilliard_init(fileUnit)
|
subroutine vacancyflux_cahnhilliard_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -44,7 +44,7 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine vacancyflux_isochempot_init(fileUnit)
|
subroutine vacancyflux_isochempot_init(fileUnit)
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
|
|
@ -16,7 +16,7 @@ contains
|
||||||
!> @brief allocates all neccessary fields, reads information from material configuration file
|
!> @brief allocates all neccessary fields, reads information from material configuration file
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine vacancyflux_isoconc_init()
|
subroutine vacancyflux_isoconc_init()
|
||||||
#ifdef __GFORTRAN__
|
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
compiler_version, &
|
compiler_version, &
|
||||||
compiler_options
|
compiler_options
|
||||||
|
|
|
||||||
Loading…
Reference in New Issue