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DAMASK_EICMD
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Merge remote-tracking branch 'origin/development' into MiscImprovements

This commit is contained in:
Martin Diehl 2020-02-11 17:11:43 +01:00
parent cd76172d74 3dacd3d931
commit c2c84d698f
25 changed files with 496 additions and 4098 deletions
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10
.gitlab-ci.yml
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@ -75,7 +75,6 @@ variables:
# ------------ Defaults ---------------------------------------------- # ------------ Defaults ----------------------------------------------
MSC: "$MSC2019" MSC: "$MSC2019"
IntelMarc: "$IntelCompiler17_8" IntelMarc: "$IntelCompiler17_8"
IntelAbaqus: "$IntelCompiler16_4"
HDF5Marc: "HDF5/1.10.5/Intel-17.8" HDF5Marc: "HDF5/1.10.5/Intel-17.8"
# ++++++++++++ Documentation ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ # ++++++++++++ Documentation ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Doxygen1_8_15: "Documentation/Doxygen/1.8.15" Doxygen1_8_15: "Documentation/Doxygen/1.8.15"
@ -476,15 +475,6 @@ createTar:
- release - release
################################################################################################### ###################################################################################################
AbaqusStd:
stage: createDocumentation
script:
- module load $IntelCompiler $MPICH_Intel $PETSc_MPICH_Intel $Doxygen
- $DAMASKROOT/PRIVATE/documenting/runDoxygen.sh $DAMASKROOT abaqus
except:
- master
- release
Marc: Marc:
stage: createDocumentation stage: createDocumentation
script: script:

6
DAMASK_prerequisites.sh
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@ -122,9 +122,3 @@ done
firstLevel "CMake" firstLevel "CMake"
getDetails cmake --version getDetails cmake --version
firstLevel "Abaqus"
cd installation/mods_Abaqus # to have the right environment file
for executable in abaqus abq2017 abq2018 abq2019; do
getDetails $executable 'information=all'
done
cd ../..

2
PRIVATE

@ -1 +1 @@
Subproject commit 64432754ce3c590c882cf4987695539cee524ee8 Subproject commit 9dc7065beedf2a097aa60a656bbfa52e55d7147c

2
VERSION
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@ -1 +1 @@
v2.0.3-1624-g47109b90 v2.0.3-1639-g81ae6686

2
env/CONFIG vendored
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@ -3,5 +3,3 @@ set DAMASK_NUM_THREADS = 4
set MSC_ROOT = /opt/msc set MSC_ROOT = /opt/msc
set MARC_VERSION = 2019 set MARC_VERSION = 2019
set ABAQUS_VERSION = 2019

1
env/DAMASK.csh vendored
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@ -51,5 +51,4 @@ else
setenv PYTHONPATH $DAMASK_ROOT/python:$PYTHONPATH setenv PYTHONPATH $DAMASK_ROOT/python:$PYTHONPATH
endif endif
setenv MSC_ROOT setenv MSC_ROOT
setenv ABAQUS_VERSION
setenv MARC_VERSION setenv MARC_VERSION

1
examples/ConfigFiles/debug.config
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@ -17,7 +17,6 @@ homogenization # homogenization_*.f90 possible values: ba
CPFEM # CPFEM.f90 possible values: basic, extensive, selective CPFEM # CPFEM.f90 possible values: basic, extensive, selective
spectral # DAMASK_spectral.f90 possible values: basic, fft, restart, divergence, rotation, petsc spectral # DAMASK_spectral.f90 possible values: basic, fft, restart, divergence, rotation, petsc
marc # MSC.MARC FEM solver possible values: basic marc # MSC.MARC FEM solver possible values: basic
abaqus # ABAQUS FEM solver possible values: basic
# #
# Parameters for selective # Parameters for selective
element 1 # selected element for debugging (synonymous: "el", "e") element 1 # selected element for debugging (synonymous: "el", "e")

2
examples/ConfigFiles/numerics.config
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@ -9,7 +9,7 @@ pert_method 1 # perturbation method (1 = forward, 2 = b
integrator 1 # integration method (1 = Fixed Point Iteration, 2 = Euler, 3 = Adaptive Euler, 4 = classical 4th order Runge-Kutta, 5 = 5th order Runge-Kutta Cash-Karp) integrator 1 # integration method (1 = Fixed Point Iteration, 2 = Euler, 3 = Adaptive Euler, 4 = classical 4th order Runge-Kutta, 5 = 5th order Runge-Kutta Cash-Karp)
integratorStiffness 1 # integration method used for stiffness (1 = Fixed Point Iteration, 2 = Euler, 3 = Adaptive Euler, 4 = classical 4th order Runge-Kutta, 5 = 5th order Runge-Kutta Cash-Karp) integratorStiffness 1 # integration method used for stiffness (1 = Fixed Point Iteration, 2 = Euler, 3 = Adaptive Euler, 4 = classical 4th order Runge-Kutta, 5 = 5th order Runge-Kutta Cash-Karp)
unitlength 1 # physical length of one computational length unit unitlength 1 # physical length of one computational length unit
usepingpong 1 # use the ping pong (collect <-> calc) scheme (always off for Abaqus exp, must be on for Spectral Solver) usepingpong 1 # use the ping pong (collect <-> calc) scheme
## crystallite numerical parameters ## ## crystallite numerical parameters ##
nCryst 20 # crystallite loop limit (only for debugging info, loop limit is determined by "subStepMinCryst") nCryst 20 # crystallite loop limit (only for debugging info, loop limit is determined by "subStepMinCryst")

56
installation/mods_Abaqus/abaqus_v6.env
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@ -1,56 +0,0 @@
#
# DAMASK Abaqus Environment File
#
# ------------------------------------
# originally taken from Abaqus ver. 6.11.1
#
#
# Linux (Opteron/EM64T) Settings:
#
# Compile and Link command for user subroutines.
# Compile_cpp and link_exe for Abaqus make utility.
#
import os, re, glob, driverUtils
if False:
# use hdf5 compiler wrapper in $PATH
fortCmd = os.popen('h5fc -shlib -show').read().replace('\n','') # complicated way needed to pass in DAMASKVERSION string
link_sl += fortCmd.split()[1:]
fortCmd +=" -DDAMASK_HDF5"
else:
# Use the version in $PATH
fortCmd = "ifort"
# -free to use free-format FORTRAN 90 syntax
# -O <0-3> optimization level
# -fpp use FORTRAN preprocessor on source code
# -fopenmp build with openMP support
# -w90 -w95 suppress messages about use of non-standard Fortran (previous version of abaqus_v6.env only)
# -WB turn a compile-time bounds check into a warning (previous version of abaqus_v6.env only)
# -mP2OPT_hpo_vec_divbyzero=F inofficial compiler switch, proposed by abaqus but highly dubios (previous version of abaqus_v6.env only)
# -ftz flush underflow to zero
# -diag-disable 5268 disable warnings about line length > 132 (only comments there anyway)
# -implicitnone assume no implicit types (e.g. i for integer)
# -standard-semantics sets standard (Fortran 2008) and some other conventions
# -assume nostd_mod_proc_name avoid problems with libraries compiled without that option
# -real-size 64 assume size of real to be 8 bytes, matches our definition of pReal
compile_fortran = (fortCmd + " -c -fPIC -auto -shared-intel " +
"-I%I -free -O3 -fpp -fopenmp " +
"-ftz -diag-disable 5268 " +
"-implicitnone -standard-semantics " +
"-assume nostd_mod_proc_name " +
"-real-size 64 " +
'-DDAMASKVERSION=\\\"n/a\\\"')
# Abaqus/CAE will generate an input file without parts and assemblies.
cae_no_parts_input_file=ON
# Both the Abaqus/Explicit packager and analysis are run in double precision.
double_precision=BOTH
# The user will not be asked whether old job files of the same name should be deleted.
ask_delete=OFF
# usub_lib_dir='your_prefered_location/abqlib'
# Remove the temporary names from the namespace
del fortCmd

61
installation/mods_Abaqus/abaqus_v6_debug.env
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@ -1,61 +0,0 @@
#
# DAMASK Abaqus Environment File
#
# ------------------------------------
# originally taken from Abaqus ver. 6.11.1
#
#
# Linux (Opteron/EM64T) Settings:
#
# Compile and Link command for user subroutines.
# Compile_cpp and link_exe for Abaqus make utility.
#
import os, re, glob, driverUtils
if False:
# use hdf5 compiler wrapper in $PATH
fortCmd = os.popen('h5fc -shlib -show').read().replace('\n','') # complicated way needed to pass in DAMASKVERSION string
link_sl += fortCmd.split()[1:]
fortCmd +=" -DDAMASK_HDF5"
else:
# Use the version in $PATH
fortCmd = "ifort"
# -free to use free-format FORTRAN 90 syntax
# -O <0-3> optimization level
# -fpp use FORTRAN preprocessor on source code
# -fopenmp build with openMP support
# -w90 -w95 suppress messages about use of non-standard Fortran (previous version of abaqus_v6.env only)
# -WB turn a compile-time bounds check into a warning (previous version of abaqus_v6.env only)
# -mP2OPT_hpo_vec_divbyzero=F inofficial compiler switch, proposed by abaqus but highly dubios (previous version of abaqus_v6.env only)
# -ftz flush underflow to zero
# -diag-disable 5268 disable warnings about line length > 132 (only comments there anyway)
# -implicitnone assume no implicit types (e.g. i for integer)
# -standard-semantics sets standard (Fortran 2008) and some other conventions
# -assume nostd_mod_proc_name avoid problems with libraries compiled without that option
# -real-size 64 assume size of real to be 8 bytes, matches our definition of pReal
# 'check pointers' does not work
compile_fortran = (fortCmd + " -c -fPIC -auto -shared-intel " +
"-I%I -free -O0 -fpp " +
"-ftz -diag-disable 5268 " +
"-implicitnone -standard-semantics " +
"-assume nostd_mod_proc_name " +
"-real-size 64 " +
"-check bounds,format,output_conversion,uninit " +
"-ftrapuv -fpe-all0 " +
"-g -traceback -gen-interfaces -fp-stack-check -fp-model strict " +
'-DDAMASKVERSION=\\\"n/a\\\"')
# Abaqus/CAE will generate an input file without parts and assemblies.
cae_no_parts_input_file=ON
# Both the Abaqus/Explicit packager and analysis are run in double precision.
double_precision=BOTH
# The user will not be asked whether old job files of the same name should be deleted.
ask_delete=OFF
# usub_lib_dir='your_prefered_location/abqlib'
# Remove the temporary names from the namespace
del fortCmd

1
python/damask/environment.py
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@ -20,6 +20,5 @@ class Environment():
for item in ['DAMASK_NUM_THREADS', for item in ['DAMASK_NUM_THREADS',
'MSC_ROOT', 'MSC_ROOT',
'MARC_VERSION', 'MARC_VERSION',
'ABAQUS_VERSION',
]: ]:
self.options[item] = os.environ[item] if item in os.environ else None self.options[item] = os.environ[item] if item in os.environ else None

1
python/damask/solver/__init__.py
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@ -2,4 +2,3 @@
from .solver import Solver # noqa from .solver import Solver # noqa
from .marc import Marc # noqa from .marc import Marc # noqa
from .abaqus import Abaqus # noqa

36
python/damask/solver/abaqus.py
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@ -1,36 +0,0 @@
import subprocess
from .solver import Solver
import damask
class Abaqus(Solver):
"""Wrapper to run DAMASK with Abaqus."""
def __init__(self,version=damask.Environment().options['ABAQUS_VERSION']):
"""
Create a Abaqus solver object.
Parameters
----------
version : integer
Abaqus version
"""
self.solver = 'Abaqus'
try:
self.version = int(version)
except TypeError:
self.version = -1
def return_run_command(self,model):
try:
cmd = 'abq{}'.format(self.version)
subprocess.check_output([cmd,'information=release'])
except OSError: # link to abqXXX not existing
cmd = 'abaqus'
process = subprocess.Popen([cmd,'information=release'],stdout = subprocess.PIPE,stderr = subprocess.PIPE)
detectedVersion = int(process.stdout.readlines()[1].split()[1].decode('utf-8'))
if self.version not in [detectedVersion,-1]:
raise Exception('found Abaqus version {}, but requested {}'.format(detectedVersion,self.version))
return '{} -job {} -user {}/src/DAMASK_abaqus interactive'.format(cmd,model,damask.Environment().rootDir())

35
src/CMakeLists.txt
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@ -4,37 +4,36 @@ if (CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
SET_SOURCE_FILES_PROPERTIES("lattice.f90" PROPERTIES COMPILE_FLAGS "-ffree-line-length-240") SET_SOURCE_FILES_PROPERTIES("lattice.f90" PROPERTIES COMPILE_FLAGS "-ffree-line-length-240")
endif() endif()
file (GLOB damask-sources *.f90 *.c) file(GLOB damask-sources *.f90 *.c)
# probably we should have subfolders for abaqus and MSC.Marc # probably we should have a subfolder for MSC.Marc
list (FILTER damask-sources EXCLUDE REGEX ".*CPFEM.f90") list(FILTER damask-sources EXCLUDE REGEX ".*CPFEM.f90")
list (FILTER damask-sources EXCLUDE REGEX ".*DAMASK_marc.*.f90") list(FILTER damask-sources EXCLUDE REGEX ".*DAMASK_marc.*.f90")
list (FILTER damask-sources EXCLUDE REGEX ".*mesh_marc.*.f90") list(FILTER damask-sources EXCLUDE REGEX ".*mesh_marc.*.f90")
list (FILTER damask-sources EXCLUDE REGEX ".*mesh_abaqus.*.f90") list(FILTER damask-sources EXCLUDE REGEX ".*commercialFEM_fileList.*.f90")
list (FILTER damask-sources EXCLUDE REGEX ".*commercialFEM_fileList.*.f90")
if (PROJECT_NAME STREQUAL "damask-grid") if (PROJECT_NAME STREQUAL "damask-grid")
list (FILTER damask-sources EXCLUDE REGEX ".*mesh_FEM.*.f90") list(FILTER damask-sources EXCLUDE REGEX ".*mesh_FEM.*.f90")
file (GLOB grid-sources grid/*.f90) file(GLOB grid-sources grid/*.f90)
if (NOT CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY") if(NOT CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
add_executable (DAMASK_spectral ${damask-sources} ${grid-sources}) add_executable(DAMASK_spectral ${damask-sources} ${grid-sources})
install (TARGETS DAMASK_spectral RUNTIME DESTINATION bin) install (TARGETS DAMASK_spectral RUNTIME DESTINATION bin)
else() else()
add_library (DAMASK_spectral OBJECT ${damask-sources} ${grid-sources}) add_library(DAMASK_spectral OBJECT ${damask-sources} ${grid-sources})
exec_program (mktemp OUTPUT_VARIABLE nothing) exec_program (mktemp OUTPUT_VARIABLE nothing)
exec_program (mktemp ARGS -d OUTPUT_VARIABLE black_hole) exec_program (mktemp ARGS -d OUTPUT_VARIABLE black_hole)
install (PROGRAMS ${nothing} DESTINATION ${black_hole}) install (PROGRAMS ${nothing} DESTINATION ${black_hole})
endif() endif()
elseif (PROJECT_NAME STREQUAL "damask-mesh") elseif (PROJECT_NAME STREQUAL "damask-mesh")
list (FILTER damask-sources EXCLUDE REGEX ".*mesh_grid.*.f90") list(FILTER damask-sources EXCLUDE REGEX ".*mesh_grid.*.f90")
file (GLOB mesh-sources mesh/*.f90) file(GLOB mesh-sources mesh/*.f90)
add_executable (DAMASK_FEM ${damask-sources} ${mesh-sources}) add_executable(DAMASK_FEM ${damask-sources} ${mesh-sources})
install (TARGETS DAMASK_FEM RUNTIME DESTINATION bin) install (TARGETS DAMASK_FEM RUNTIME DESTINATION bin)
endif() endif()

3
src/CPFEM.f90
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@ -39,8 +39,7 @@ module CPFEM
integer(pInt), public :: & integer(pInt), public :: &
cycleCounter = 0_pInt, & !< needs description cycleCounter = 0_pInt, & !< needs description
theInc = -1_pInt, & !< needs description theInc = -1_pInt, & !< needs description
lastLovl = 0_pInt, & !< lovl in previous call to marc hypela2 lastLovl = 0_pInt !< lovl in previous call to marc hypela2
lastStep = 0_pInt !< kstep in previous call to abaqus umat
real(pReal), public :: & real(pReal), public :: &
theTime = 0.0_pReal, & !< needs description theTime = 0.0_pReal, & !< needs description
theDelta = 0.0_pReal theDelta = 0.0_pReal

380
src/DAMASK_abaqus.f
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@ -1,380 +0,0 @@
!--------------------------------------------------------------------------------------------------
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!> @author Koen Janssens, Paul Scherrer Institut
!> @author Arun Prakash, Fraunhofer IWM
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief interfaces DAMASK with Abaqus/Standard
!> @details put the included file abaqus_v6.env in either your home or model directory,
!> it is a minimum Abaqus environment file containing all changes necessary to use the
!> DAMASK subroutine (see Abaqus documentation for more information on the use of abaqus_v6.env)
!> @details Abaqus subroutines used:
!> @details - UMAT
!> @details - DFLUX
!--------------------------------------------------------------------------------------------------
#define Abaqus
#include "prec.f90"
module DAMASK_interface
implicit none
private
character(len=4), dimension(2), parameter, public :: INPUTFILEEXTENSION = ['.pes','.inp']
public :: &
DAMASK_interface_init, &
getSolverJobName
contains
!--------------------------------------------------------------------------------------------------
!> @brief reports and sets working directory
!--------------------------------------------------------------------------------------------------
subroutine DAMASK_interface_init
#if __INTEL_COMPILER >= 1800
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use ifport, only: &
CHDIR
implicit none
integer, dimension(8) :: &
dateAndTime
integer :: lenOutDir,ierr
character(len=256) :: wd
write(6,'(/,a)') ' <<<+- DAMASK_abaqus init -+>>>'
write(6,'(/,a)') ' Roters et al., Computational Materials Science 158:420–478, 2019'
write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2018.04.030'
write(6,'(/,a)') ' Version: '//DAMASKVERSION
! https://github.com/jeffhammond/HPCInfo/blob/master/docs/Preprocessor-Macros.md
#if __INTEL_COMPILER >= 1800
write(6,'(/,a)') ' Compiled with: '//compiler_version()
write(6,'(a)') ' Compiler options: '//compiler_options()
#else
write(6,'(/,a,i4.4,a,i8.8)') ' Compiled with Intel fortran version :', __INTEL_COMPILER,&
', build date :', __INTEL_COMPILER_BUILD_DATE
#endif
write(6,'(/,a)') ' Compiled on: '//__DATE__//' at '//__TIME__
call date_and_time(values = dateAndTime)
write(6,'(/,a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',dateAndTime(2),'/', dateAndTime(1)
write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':', dateAndTime(6),':', dateAndTime(7)
call getoutdir(wd, lenOutDir)
ierr = CHDIR(wd)
if (ierr /= 0) then
write(6,'(a20,a,a16)') ' working directory "',trim(wd),'" does not exist'
call quit(1)
endif
end subroutine DAMASK_interface_init
!--------------------------------------------------------------------------------------------------
!> @brief using Abaqus/Standard function to get solver job name
!--------------------------------------------------------------------------------------------------
character(1024) function getSolverJobName()
implicit none
integer :: lenJobName
getSolverJobName=''
call getJobName(getSolverJobName, lenJobName)
end function getSolverJobName
end module DAMASK_interface
#include "commercialFEM_fileList.f90"
!--------------------------------------------------------------------------------------------------
!> @brief This is the Abaqus std user subroutine for defining material behavior
!--------------------------------------------------------------------------------------------------
subroutine UMAT(STRESS,STATEV,DDSDDE,SSE,SPD,SCD,&
RPL,DDSDDT,DRPLDE,DRPLDT,STRAN,DSTRAN,&
TIME,DTIME,TEMP,DTEMP,PREDEF,DPRED,CMNAME,NDI,NSHR,NTENS,&
NSTATV,PROPS,NPROPS,COORDS,DROT,PNEWDT,CELENT,&
DFGRD0,DFGRD1,NOEL,NPT,KSLAY,KSPT,KSTEP,KINC)
use prec, only: &
pReal, &
pInt
use numerics, only: &
!$ DAMASK_NumThreadsInt, &
usePingPong
use FEsolving, only: &
calcMode, &
terminallyIll, &
symmetricSolver
use debug, only: &
debug_info, &
debug_reset, &
debug_levelBasic, &
debug_level, &
debug_abaqus
use mesh, only: &
mesh_unitlength, &
mesh_FEasCP, &
mesh_ipCoordinates
use CPFEM, only: &
CPFEM_general, &
CPFEM_init_done, &
CPFEM_initAll, &
CPFEM_CALCRESULTS, &
CPFEM_AGERESULTS, &
CPFEM_COLLECT, &
CPFEM_BACKUPJACOBIAN, &
cycleCounter, &
theInc, &
theTime, &
theDelta, &
lastIncConverged, &
outdatedByNewInc, &
outdatedFFN1, &
lastStep
implicit none
integer(pInt), intent(in) :: &
nDi, & !< Number of direct stress components at this point
nShr, & !< Number of engineering shear stress components at this point
nTens, & !< Size of the stress or strain component array (NDI + NSHR)
nStatV, & !< Number of solution-dependent state variables
nProps, & !< User-defined number of material constants
noEl, & !< element number
nPt,& !< integration point number
kSlay, & !< layer number (shell elements etc.)
kSpt, & !< section point within the current layer
kStep, & !< step number
kInc !< increment number
character(len=80), intent(in) :: &
cmname !< uses-specified material name, left justified
real(pReal), intent(in) :: &
DTIME, &
TEMP, &
DTEMP, &
CELENT
real(pReal), dimension(1), intent(in) :: &
PREDEF, &
DPRED
real(pReal), dimension(2), intent(in) :: &
TIME !< step time/total time at beginning of the current increment
real(pReal), dimension(3), intent(in) :: &
COORDS
real(pReal), dimension(nTens), intent(in) :: &
STRAN, & !< total strains at beginning of the increment
DSTRAN !< strain increments
real(pReal), dimension(nProps), intent(in) :: &
PROPS
real(pReal), dimension(3,3), intent(in) :: &
DROT, & !< rotation increment matrix
DFGRD0, & !< F at beginning of increment
DFGRD1 !< F at end of increment
real(pReal), intent(inout) :: &
PNEWDT, & !< ratio of suggested new time increment
SSE, & !< specific elastic strain engergy
SPD, & !< specific plastic dissipation
SCD, & !< specific creep dissipation
RPL, & !< volumetric heat generation per unit time at the end of the increment
DRPLDT !< varation of RPL with respect to the temperature
real(pReal), dimension(nTens), intent(inout) :: &
STRESS !< stress tensor at the beginning of the increment, needs to be updated
real(pReal), dimension(nStatV), intent(inout) :: &
STATEV !< solution-dependent state variables
real(pReal), dimension(nTens), intent(out) :: &
DDSDDT, &
DRPLDE
real(pReal), dimension(nTens,nTens), intent(out) :: &
DDSDDE !< Jacobian matrix of the constitutive model
real(pReal) :: temperature ! temp by Abaqus is intent(in)
real(pReal), dimension(6) :: stress_h
real(pReal), dimension(6,6) :: ddsdde_h
integer(pInt) :: computationMode, i, cp_en
logical :: cutBack
#ifdef _OPENMP
integer :: defaultNumThreadsInt !< default value set by Abaqus
include "omp_lib.h"
defaultNumThreadsInt = omp_get_num_threads() ! remember number of threads set by Marc
call omp_set_num_threads(DAMASK_NumThreadsInt) ! set number of threads for parallel execution set by DAMASK_NUM_THREADS
#endif
temperature = temp ! temp is intent(in)
DDSDDT = 0.0_pReal
DRPLDE = 0.0_pReal
if (iand(debug_level(debug_abaqus),debug_levelBasic) /= 0 .and. noel == 1 .and. npt == 1) then
write(6,*) 'el',noel,'ip',npt
write(6,*) 'got kInc as',kInc
write(6,*) 'got dStran',dStran
flush(6)
endif
if (.not. CPFEM_init_done) call CPFEM_initAll(noel,npt)
computationMode = 0
cp_en = mesh_FEasCP('elem',noel)
if (time(2) > theTime .or. kInc /= theInc) then ! reached convergence
terminallyIll = .false.
cycleCounter = -1 ! first calc step increments this to cycle = 0
if (kInc == 1) then ! >> start of analysis <<
lastIncConverged = .false. ! no Jacobian backup
outdatedByNewInc = .false. ! no aging of state
calcMode = .false. ! pretend last step was collection
write (6,'(i8,1x,i2,1x,a)') noel,npt,'<< UMAT >> start of analysis..!';flush(6)
else if (kInc - theInc > 1) then ! >> restart of broken analysis <<
lastIncConverged = .false. ! no Jacobian backup
outdatedByNewInc = .false. ! no aging of state
calcMode = .true. ! pretend last step was calculation
write (6,'(i8,1x,i2,1x,a)') noel,npt,'<< UMAT >> restart of analysis..!';flush(6)
else ! >> just the next inc <<
lastIncConverged = .true. ! request Jacobian backup
outdatedByNewInc = .true. ! request aging of state
calcMode = .true. ! assure last step was calculation
write (6,'(i8,1x,i2,1x,a)') noel,npt,'<< UMAT >> new increment..!';flush(6)
endif
else if ( dtime < theDelta ) then ! >> cutBack <<
lastIncConverged = .false. ! no Jacobian backup
outdatedByNewInc = .false. ! no aging of state
terminallyIll = .false.
cycleCounter = -1 ! first calc step increments this to cycle = 0
calcMode = .true. ! pretend last step was calculation
write(6,'(i8,1x,i2,1x,a)') noel,npt,'<< UMAT >> cutback detected..!';flush(6)
endif ! convergence treatment end
if (usePingPong) then
calcMode(npt,cp_en) = .not. calcMode(npt,cp_en) ! ping pong (calc <--> collect)
if (calcMode(npt,cp_en)) then ! now --- CALC ---
computationMode = CPFEM_CALCRESULTS
if ( lastStep /= kStep ) then ! first after ping pong
call debug_reset() ! resets debugging
outdatedFFN1 = .false.
cycleCounter = cycleCounter + 1_pInt
endif
if(outdatedByNewInc) then
computationMode = ior(computationMode,CPFEM_AGERESULTS) ! calc and age results
outdatedByNewInc = .false. ! reset flag
endif
else ! now --- COLLECT ---
computationMode = CPFEM_COLLECT ! plain collect
if(lastStep /= kStep .and. .not. terminallyIll) &
call debug_info() ! first after ping pong reports (meaningful) debugging
if (lastIncConverged) then
computationMode = ior(computationMode,CPFEM_BACKUPJACOBIAN) ! collect and backup Jacobian after convergence
lastIncConverged = .false. ! reset flag
endif
mesh_ipCoordinates(1:3,npt,cp_en) = mesh_unitlength * COORDS
endif
else ! --- PLAIN MODE ---
computationMode = CPFEM_CALCRESULTS ! always calc
if (lastStep /= kStep) then
if (.not. terminallyIll) &
call debug_info() ! first reports (meaningful) debugging
call debug_reset() ! and resets debugging
outdatedFFN1 = .false.
cycleCounter = cycleCounter + 1_pInt
endif
if (outdatedByNewInc) then
computationMode = ior(computationMode,CPFEM_AGERESULTS)
outdatedByNewInc = .false. ! reset flag
endif
if (lastIncConverged) then
computationMode = ior(computationMode,CPFEM_BACKUPJACOBIAN) ! backup Jacobian after convergence
lastIncConverged = .false. ! reset flag
endif
endif
theTime = time(2) ! record current starting time
theDelta = dtime ! record current time increment
theInc = kInc ! record current increment number
lastStep = kStep ! record step number
if (iand(debug_level(debug_abaqus),debug_levelBasic) /= 0) then
write(6,'(a16,1x,i2,1x,a,i8,a,i8,1x,i5,a)') 'computationMode',computationMode,'(',cp_en,':',noel,npt,')'
flush(6)
endif
call CPFEM_general(computationMode,usePingPong,dfgrd0,dfgrd1,temperature,dtime,noel,npt,stress_h,ddsdde_h)
! DAMASK: 11, 22, 33, 12, 23, 13
! ABAQUS explicit: 11, 22, 33, 12, 23, 13
! ABAQUS implicit: 11, 22, 33, 12, 13, 23
! ABAQUS implicit: 11, 22, 33, 12
ddsdde = ddsdde_h(1:ntens,1:ntens)
stress = stress_h(1:ntens)
if(symmetricSolver) ddsdde = 0.5_pReal*(ddsdde + transpose(ddsdde))
if(ntens == 6) then
stress_h = stress
stress(5) = stress_h(6)
stress(6) = stress_h(5)
ddsdde_h = ddsdde
ddsdde(:,5) = ddsdde_h(:,6)
ddsdde(:,6) = ddsdde_h(:,5)
ddsdde_h = ddsdde
ddsdde(5,:) = ddsdde_h(6,:)
ddsdde(6,:) = ddsdde_h(5,:)
end if
statev = 0
if (terminallyIll) pnewdt = 0.5_pReal ! force cutback directly ?
!$ call omp_set_num_threads(defaultNumThreadsInt) ! reset number of threads to stored default value
end subroutine UMAT
!--------------------------------------------------------------------------------------------------
!> @brief calculate internal heat generated due to inelastic energy dissipation
!--------------------------------------------------------------------------------------------------
SUBROUTINE DFLUX(FLUX,SOL,KSTEP,KINC,TIME,NOEL,NPT,COORDS,&
JLTYP,TEMP,PRESS,SNAME)
use prec, only: &
pReal, &
pInt
use thermal_conduction, only: &
thermal_conduction_getSourceAndItsTangent
use mesh, only: &
mesh_FEasCP
implicit none
character(len=1024) :: sname
real(pReal), dimension(2), intent(out) :: flux
real(pReal), intent(in) :: sol
Integer(pInt), intent(in) :: Kstep, Kinc, Noel, Npt
real(pReal), dimension(3), intent(in) :: coords
real(pReal), intent(in) :: time
real(pReal) :: Jltyp
real(pReal), intent(in) :: temp
real(pReal), intent(in) :: Press
jltyp = 1
call thermal_conduction_getSourceAndItsTangent(flux(1), flux(2), sol, npt,mesh_FEasCP('elem',noel))
end subroutine DFLUX
!--------------------------------------------------------------------------------------------------
!> @brief calls the exit function of Abaqus/Standard
!--------------------------------------------------------------------------------------------------
subroutine quit(DAMASK_error)
use prec, only: &
pInt
implicit none
integer(pInt) :: DAMASK_error
flush(6)
call xit
end subroutine quit

2
src/FEsolving.f90
View File

@ -15,7 +15,7 @@ module FEsolving
FEsolving_execElem, & !< for ping-pong scheme always whole range, otherwise one specific element FEsolving_execElem, & !< for ping-pong scheme always whole range, otherwise one specific element
FEsolving_execIP !< for ping-pong scheme always range to max IP, otherwise one specific IP FEsolving_execIP !< for ping-pong scheme always range to max IP, otherwise one specific IP
#if defined(Marc4DAMASK) || defined(Abaqus) #if defined(Marc4DAMASK)
logical, dimension(:,:), allocatable :: & logical, dimension(:,:), allocatable :: &
calcMode !< do calculation or simply collect when using ping pong scheme calcMode !< do calculation or simply collect when using ping pong scheme
#endif #endif

242
src/IO.f90
View File

@ -33,16 +33,6 @@ module IO
IO_lc, & IO_lc, &
IO_error, & IO_error, &
IO_warning IO_warning
#if defined(Marc4DAMASK) || defined(Abaqus)
public :: &
IO_open_inputFile
#if defined(Abaqus)
public :: &
IO_continuousIntValues, &
IO_extractValue, &
IO_countDataLines
#endif
#endif
contains contains
@ -175,94 +165,6 @@ integer function IO_open_binary(fileName,mode)
end function IO_open_binary end function IO_open_binary
#if defined(Marc4DAMASK) || defined(Abaqus)
!--------------------------------------------------------------------------------------------------
!> @brief opens FEM input file for reading located in current working directory to given unit
!--------------------------------------------------------------------------------------------------
subroutine IO_open_inputFile(fileUnit)
integer, intent(in) :: fileUnit !< file unit
integer :: myStat
character(len=1024) :: path
#if defined(Abaqus)
integer :: fileType
fileType = 1 ! assume .pes
path = trim(getSolverJobName())//inputFileExtension(fileType) ! attempt .pes, if it exists: it should be used
open(fileUnit+1,status='old',iostat=myStat,file=path,action='read',position='rewind')
if(myStat /= 0) then ! if .pes does not work / exist; use conventional extension, i.e.".inp"
fileType = 2
path = trim(getSolverJobName())//inputFileExtension(fileType)
open(fileUnit+1,status='old',iostat=myStat,file=path,action='read',position='rewind')
endif
if (myStat /= 0) call IO_error(100,el=myStat,ext_msg=path)
path = trim(getSolverJobName())//inputFileExtension(fileType)//'_assembly'
open(fileUnit,iostat=myStat,file=path)
if (myStat /= 0) call IO_error(100,el=myStat,ext_msg=path)
if (.not.abaqus_assembleInputFile(fileUnit,fileUnit+1)) call IO_error(103) ! strip comments and concatenate any "include"s
close(fileUnit+1)
contains
!--------------------------------------------------------------------------------------------------
!> @brief create a new input file for abaqus simulations by removing all comment lines and
!> including "include"s
!--------------------------------------------------------------------------------------------------
recursive function abaqus_assembleInputFile(unit1,unit2) result(createSuccess)
integer, intent(in) :: unit1, &
unit2
integer, allocatable, dimension(:) :: chunkPos
character(len=pStringLen :: line,fname
logical :: createSuccess,fexist
do
read(unit2,'(A)',END=220) line
chunkPos = IO_stringPos(line)
if (IO_lc(IO_StringValue(line,chunkPos,1))=='*include') then
fname = trim(line(9+scan(line(9:),'='):))
inquire(file=fname, exist=fexist)
if (.not.(fexist)) then
write(6,*)'ERROR: file does not exist error in abaqus_assembleInputFile'
write(6,*)'filename: ', trim(fname)
createSuccess = .false.
return
endif
open(unit2+1,err=200,status='old',file=fname)
if (abaqus_assembleInputFile(unit1,unit2+1)) then
createSuccess=.true.
close(unit2+1)
else
createSuccess=.false.
return
endif
else if (line(1:2) /= '**' .OR. line(1:8)=='**damask') then
write(unit1,'(A)') trim(line)
endif
enddo
220 createSuccess = .true.
return
200 createSuccess =.false.
end function abaqus_assembleInputFile
#elif defined(Marc4DAMASK)
path = trim(getSolverJobName())//inputFileExtension
open(fileUnit,status='old',iostat=myStat,file=path)
if (myStat /= 0) call IO_error(100,el=myStat,ext_msg=path)
#endif
end subroutine IO_open_inputFile
#endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief identifies strings without content !> @brief identifies strings without content
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -419,7 +321,6 @@ end function IO_lc
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief write error statements to standard out and terminate the Marc/spectral run with exit #9xxx !> @brief write error statements to standard out and terminate the Marc/spectral run with exit #9xxx
!> in ABAQUS either time step is reduced or execution terminated
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine IO_error(error_ID,el,ip,g,instance,ext_msg) subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
@ -608,29 +509,6 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
case (894) case (894)
msg = 'MPI error' msg = 'MPI error'
!-------------------------------------------------------------------------------------------------
! error messages related to parsing of Abaqus input file
case (900)
msg = 'improper definition of nodes in input file (Nnodes < 2)'
case (901)
msg = 'no elements defined in input file (Nelems = 0)'
case (902)
msg = 'no element sets defined in input file (No *Elset exists)'
case (903)
msg = 'no materials defined in input file (Look into section assigments)'
case (904)
msg = 'no elements could be assigned for Elset: '
case (905)
msg = 'error in mesh_abaqus_map_materials'
case (906)
msg = 'error in mesh_abaqus_count_cpElements'
case (907)
msg = 'size of mesh_mapFEtoCPelem in mesh_abaqus_map_elements'
case (908)
msg = 'size of mesh_mapFEtoCPnode in mesh_abaqus_map_nodes'
case (909)
msg = 'size of mesh_node in mesh_abaqus_build_nodes not equal to mesh_Nnodes'
!------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------
! general error messages ! general error messages
@ -751,126 +629,6 @@ subroutine IO_warning(warning_ID,el,ip,g,ext_msg)
end subroutine IO_warning end subroutine IO_warning
#ifdef Abaqus
!--------------------------------------------------------------------------------------------------
!> @brief extracts string value from key=value pair and check whether key matches
!--------------------------------------------------------------------------------------------------
character(len=300) pure function IO_extractValue(pair,key)
character(len=*), intent(in) :: pair, & !< key=value pair
key !< key to be expected
character(len=*), parameter :: SEP = achar(61) ! '='
integer :: myChunk !< position number of desired chunk
IO_extractValue = ''
myChunk = scan(pair,SEP)
if (myChunk > 0 .and. pair(:myChunk-1) == key) IO_extractValue = pair(myChunk+1:) ! extract value if key matches
end function IO_extractValue
!--------------------------------------------------------------------------------------------------
!> @brief count lines containig data up to next *keyword
!--------------------------------------------------------------------------------------------------
integer function IO_countDataLines(fileUnit)
integer, intent(in) :: fileUnit !< file handle
integer, allocatable, dimension(:) :: chunkPos
character(len=pStringLen) :: line, &
tmp
IO_countDataLines = 0
line = ''
do while (trim(line) /= IO_EOF)
read(fileUnit,'(A)') line
chunkPos = IO_stringPos(line)
tmp = IO_lc(IO_stringValue(line,chunkPos,1))
if (tmp(1:1) == '*' .and. tmp(2:2) /= '*') then ! found keyword
exit
else
if (tmp(2:2) /= '*') IO_countDataLines = IO_countDataLines + 1
endif
enddo
backspace(fileUnit)
end function IO_countDataLines
!--------------------------------------------------------------------------------------------------
!> @brief return integer list corresponding to items in consecutive lines.
!! First integer in array is counter
!> @details Abaqus: triplet of start,stop,inc or named set
!--------------------------------------------------------------------------------------------------
function IO_continuousIntValues(fileUnit,maxN,lookupName,lookupMap,lookupMaxN)
integer, intent(in) :: maxN
integer, dimension(1+maxN) :: IO_continuousIntValues
integer, intent(in) :: fileUnit, &
lookupMaxN
integer, dimension(:,:), intent(in) :: lookupMap
character(len=*), dimension(:), intent(in) :: lookupName
integer :: i,first,last
integer :: j,l,c
integer, allocatable, dimension(:) :: chunkPos
character(len=pStringLen) :: line
logical :: rangeGeneration
IO_continuousIntValues = 0
rangeGeneration = .false.
c = IO_countDataLines(fileUnit)
do l = 1,c
backspace(fileUnit)
enddo
!--------------------------------------------------------------------------------------------------
! check if the element values in the elset are auto generated
backspace(fileUnit)
read(fileUnit,'(A)',end=100) line
chunkPos = IO_stringPos(line)
do i = 1,chunkPos(1)
if (IO_lc(IO_stringValue(line,chunkPos,i)) == 'generate') rangeGeneration = .true.
enddo
do l = 1,c
read(fileUnit,'(A)',end=100) line
chunkPos = IO_stringPos(line)
if (verify(IO_stringValue(line,chunkPos,1),'0123456789') > 0) then ! a non-int, i.e. set names follow on this line
do i = 1,chunkPos(1) ! loop over set names in line
do j = 1,lookupMaxN ! look through known set names
if (IO_stringValue(line,chunkPos,i) == lookupName(j)) then ! found matching name
first = 2 + IO_continuousIntValues(1) ! where to start appending data
last = first + lookupMap(1,j) - 1 ! up to where to append data
IO_continuousIntValues(first:last) = lookupMap(2:1+lookupMap(1,j),j) ! add resp. entity list
IO_continuousIntValues(1) = IO_continuousIntValues(1) + lookupMap(1,j) ! count them
endif
enddo
enddo
else if (rangeGeneration) then ! range generation
do i = IO_intValue(line,chunkPos,1),&
IO_intValue(line,chunkPos,2),&
max(1,IO_intValue(line,chunkPos,3))
IO_continuousIntValues(1) = IO_continuousIntValues(1) + 1
IO_continuousIntValues(1+IO_continuousIntValues(1)) = i
enddo
else ! read individual elem nums
do i = 1,chunkPos(1)
IO_continuousIntValues(1) = IO_continuousIntValues(1) + 1
IO_continuousIntValues(1+IO_continuousIntValues(1)) = IO_intValue(line,chunkPos,i)
enddo
endif
enddo
100 end function IO_continuousIntValues
#endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! internal helper functions ! internal helper functions

5
src/commercialFEM_fileList.f90
View File

@ -1,7 +1,7 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief all DAMASK files without solver !> @brief all DAMASK files without solver
!> @details List of files needed by MSC.Marc and Abaqus/Standard !> @details List of files needed by MSC.Marc
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
#include "IO.f90" #include "IO.f90"
#include "numerics.f90" #include "numerics.f90"
@ -19,9 +19,6 @@
#include "results.f90" #include "results.f90"
#include "geometry_plastic_nonlocal.f90" #include "geometry_plastic_nonlocal.f90"
#include "discretization.f90" #include "discretization.f90"
#ifdef Abaqus
#include "mesh_abaqus.f90"
#endif
#ifdef Marc4DAMASK #ifdef Marc4DAMASK
#include "mesh_marc.f90" #include "mesh_marc.f90"
#endif #endif

204
src/constitutive.f90
View File

@ -25,44 +25,44 @@ module constitutive
use kinematics_cleavage_opening use kinematics_cleavage_opening
use kinematics_slipplane_opening use kinematics_slipplane_opening
use kinematics_thermal_expansion use kinematics_thermal_expansion
implicit none implicit none
private private
integer, public, protected :: & integer, public, protected :: &
constitutive_plasticity_maxSizeDotState, & constitutive_plasticity_maxSizeDotState, &
constitutive_source_maxSizeDotState constitutive_source_maxSizeDotState
interface interface
module subroutine plastic_none_init module subroutine plastic_none_init
end subroutine plastic_none_init end subroutine plastic_none_init
module subroutine plastic_isotropic_init module subroutine plastic_isotropic_init
end subroutine plastic_isotropic_init end subroutine plastic_isotropic_init
module subroutine plastic_phenopowerlaw_init module subroutine plastic_phenopowerlaw_init
end subroutine plastic_phenopowerlaw_init end subroutine plastic_phenopowerlaw_init
module subroutine plastic_kinehardening_init module subroutine plastic_kinehardening_init
end subroutine plastic_kinehardening_init end subroutine plastic_kinehardening_init
module subroutine plastic_dislotwin_init module subroutine plastic_dislotwin_init
end subroutine plastic_dislotwin_init end subroutine plastic_dislotwin_init
module subroutine plastic_disloUCLA_init module subroutine plastic_disloUCLA_init
end subroutine plastic_disloUCLA_init end subroutine plastic_disloUCLA_init
module subroutine plastic_nonlocal_init module subroutine plastic_nonlocal_init
end subroutine plastic_nonlocal_init end subroutine plastic_nonlocal_init
module subroutine plastic_isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of) module subroutine plastic_isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
real(pReal), dimension(3,3), intent(out) :: & real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: & real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress dLp_dMp !< derivative of Lp with respect to the Mandel stress
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
integer, intent(in) :: & integer, intent(in) :: &
@ -75,20 +75,20 @@ module constitutive
Lp !< plastic velocity gradient Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: & real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress dLp_dMp !< derivative of Lp with respect to the Mandel stress
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
integer, intent(in) :: & integer, intent(in) :: &
instance, & instance, &
of of
end subroutine plastic_phenopowerlaw_LpAndItsTangent end subroutine plastic_phenopowerlaw_LpAndItsTangent
pure module subroutine plastic_kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of) pure module subroutine plastic_kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
real(pReal), dimension(3,3), intent(out) :: & real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: & real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress dLp_dMp !< derivative of Lp with respect to the Mandel stress
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
integer, intent(in) :: & integer, intent(in) :: &
@ -101,7 +101,7 @@ module constitutive
Lp !< plastic velocity gradient Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: & real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress dLp_dMp !< derivative of Lp with respect to the Mandel stress
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
@ -110,13 +110,13 @@ module constitutive
instance, & instance, &
of of
end subroutine plastic_dislotwin_LpAndItsTangent end subroutine plastic_dislotwin_LpAndItsTangent
pure module subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of) pure module subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
real(pReal), dimension(3,3), intent(out) :: & real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: & real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress dLp_dMp !< derivative of Lp with respect to the Mandel stress
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
@ -125,14 +125,14 @@ module constitutive
instance, & instance, &
of of
end subroutine plastic_disloUCLA_LpAndItsTangent end subroutine plastic_disloUCLA_LpAndItsTangent
module subroutine plastic_nonlocal_LpAndItsTangent(Lp, dLp_dMp, & module subroutine plastic_nonlocal_LpAndItsTangent(Lp, dLp_dMp, &
Mp, Temperature, volume, ip, el) Mp, Temperature, volume, ip, el)
real(pReal), dimension(3,3), intent(out) :: & real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: & real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress dLp_dMp !< derivative of Lp with respect to the Mandel stress
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
@ -149,15 +149,15 @@ module constitutive
Li !< inleastic velocity gradient Li !< inleastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: & real(pReal), dimension(3,3,3,3), intent(out) :: &
dLi_dMi !< derivative of Li with respect to Mandel stress dLi_dMi !< derivative of Li with respect to Mandel stress
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mi !< Mandel stress Mi !< Mandel stress
integer, intent(in) :: & integer, intent(in) :: &
instance, & instance, &
of of
end subroutine plastic_isotropic_LiAndItsTangent end subroutine plastic_isotropic_LiAndItsTangent
module subroutine plastic_isotropic_dotState(Mp,instance,of) module subroutine plastic_isotropic_dotState(Mp,instance,of)
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
@ -165,7 +165,7 @@ module constitutive
instance, & instance, &
of of
end subroutine plastic_isotropic_dotState end subroutine plastic_isotropic_dotState
module subroutine plastic_phenopowerlaw_dotState(Mp,instance,of) module subroutine plastic_phenopowerlaw_dotState(Mp,instance,of)
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
@ -173,7 +173,7 @@ module constitutive
instance, & instance, &
of of
end subroutine plastic_phenopowerlaw_dotState end subroutine plastic_phenopowerlaw_dotState
module subroutine plastic_kinehardening_dotState(Mp,instance,of) module subroutine plastic_kinehardening_dotState(Mp,instance,of)
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
@ -181,7 +181,7 @@ module constitutive
instance, & instance, &
of of
end subroutine plastic_kinehardening_dotState end subroutine plastic_kinehardening_dotState
module subroutine plastic_dislotwin_dotState(Mp,T,instance,of) module subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
@ -201,8 +201,8 @@ module constitutive
instance, & instance, &
of of
end subroutine plastic_disloUCLA_dotState end subroutine plastic_disloUCLA_dotState
module subroutine plastic_nonlocal_dotState(Mp, Fe, Fp, Temperature, & module subroutine plastic_nonlocal_dotState(Mp, F, Fp, Temperature, &
timestep,ip,el) timestep,ip,el)
integer, intent(in) :: & integer, intent(in) :: &
ip, & !< current integration point ip, & !< current integration point
@ -213,11 +213,11 @@ module constitutive
real(pReal), dimension(3,3), intent(in) ::& real(pReal), dimension(3,3), intent(in) ::&
Mp !< MandelStress Mp !< MandelStress
real(pReal), dimension(3,3,homogenization_maxNgrains,discretization_nIP,discretization_nElem), intent(in) :: & real(pReal), dimension(3,3,homogenization_maxNgrains,discretization_nIP,discretization_nElem), intent(in) :: &
Fe, & !< elastic deformation gradient F, & !< deformation gradient
Fp !< plastic deformation gradient Fp !< plastic deformation gradient
end subroutine plastic_nonlocal_dotState end subroutine plastic_nonlocal_dotState
module subroutine plastic_dislotwin_dependentState(T,instance,of) module subroutine plastic_dislotwin_dependentState(T,instance,of)
integer, intent(in) :: & integer, intent(in) :: &
instance, & instance, &
@ -225,19 +225,19 @@ module constitutive
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
T T
end subroutine plastic_dislotwin_dependentState end subroutine plastic_dislotwin_dependentState
module subroutine plastic_disloUCLA_dependentState(instance,of) module subroutine plastic_disloUCLA_dependentState(instance,of)
integer, intent(in) :: & integer, intent(in) :: &
instance, & instance, &
of of
end subroutine plastic_disloUCLA_dependentState end subroutine plastic_disloUCLA_dependentState
module subroutine plastic_nonlocal_dependentState(Fe, Fp, ip, el) module subroutine plastic_nonlocal_dependentState(F, Fp, ip, el)
integer, intent(in) :: & integer, intent(in) :: &
ip, & ip, &
el el
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Fe, & F, &
Fp Fp
end subroutine plastic_nonlocal_dependentState end subroutine plastic_nonlocal_dependentState
@ -249,7 +249,7 @@ module constitutive
instance, & instance, &
of of
end subroutine plastic_kinehardening_deltaState end subroutine plastic_kinehardening_deltaState
module subroutine plastic_nonlocal_deltaState(Mp,ip,el) module subroutine plastic_nonlocal_deltaState(Mp,ip,el)
integer, intent(in) :: & integer, intent(in) :: &
ip, & ip, &
@ -267,48 +267,48 @@ module constitutive
ip, & !< integration point ip, & !< integration point
el !< element el !< element
end function plastic_dislotwin_homogenizedC end function plastic_dislotwin_homogenizedC
module subroutine plastic_nonlocal_updateCompatibility(orientation,i,e) module subroutine plastic_nonlocal_updateCompatibility(orientation,i,e)
integer, intent(in) :: & integer, intent(in) :: &
i, & i, &
e e
type(rotation), dimension(1,discretization_nIP,discretization_nElem), intent(in) :: & type(rotation), dimension(1,discretization_nIP,discretization_nElem), intent(in) :: &
orientation !< crystal orientation orientation !< crystal orientation
end subroutine plastic_nonlocal_updateCompatibility end subroutine plastic_nonlocal_updateCompatibility
module subroutine plastic_isotropic_results(instance,group) module subroutine plastic_isotropic_results(instance,group)
integer, intent(in) :: instance integer, intent(in) :: instance
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
end subroutine plastic_isotropic_results end subroutine plastic_isotropic_results
module subroutine plastic_phenopowerlaw_results(instance,group) module subroutine plastic_phenopowerlaw_results(instance,group)
integer, intent(in) :: instance integer, intent(in) :: instance
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
end subroutine plastic_phenopowerlaw_results end subroutine plastic_phenopowerlaw_results
module subroutine plastic_kinehardening_results(instance,group) module subroutine plastic_kinehardening_results(instance,group)
integer, intent(in) :: instance integer, intent(in) :: instance
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
end subroutine plastic_kinehardening_results end subroutine plastic_kinehardening_results
module subroutine plastic_dislotwin_results(instance,group) module subroutine plastic_dislotwin_results(instance,group)
integer, intent(in) :: instance integer, intent(in) :: instance
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
end subroutine plastic_dislotwin_results end subroutine plastic_dislotwin_results
module subroutine plastic_disloUCLA_results(instance,group) module subroutine plastic_disloUCLA_results(instance,group)
integer, intent(in) :: instance integer, intent(in) :: instance
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
end subroutine plastic_disloUCLA_results end subroutine plastic_disloUCLA_results
module subroutine plastic_nonlocal_results(instance,group) module subroutine plastic_nonlocal_results(instance,group)
integer, intent(in) :: instance integer, intent(in) :: instance
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
end subroutine plastic_nonlocal_results end subroutine plastic_nonlocal_results
end interface end interface
public :: & public :: &
plastic_nonlocal_updateCompatibility, & plastic_nonlocal_updateCompatibility, &
constitutive_init, & constitutive_init, &
@ -321,7 +321,7 @@ module constitutive
constitutive_collectDotState, & constitutive_collectDotState, &
constitutive_collectDeltaState, & constitutive_collectDeltaState, &
constitutive_results constitutive_results
contains contains
@ -355,18 +355,18 @@ subroutine constitutive_init
if (any(phase_source == SOURCE_damage_isoDuctile_ID)) call source_damage_isoDuctile_init if (any(phase_source == SOURCE_damage_isoDuctile_ID)) call source_damage_isoDuctile_init
if (any(phase_source == SOURCE_damage_anisoBrittle_ID)) call source_damage_anisoBrittle_init if (any(phase_source == SOURCE_damage_anisoBrittle_ID)) call source_damage_anisoBrittle_init
if (any(phase_source == SOURCE_damage_anisoDuctile_ID)) call source_damage_anisoDuctile_init if (any(phase_source == SOURCE_damage_anisoDuctile_ID)) call source_damage_anisoDuctile_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! initialize kinematic mechanisms ! initialize kinematic mechanisms
if (any(phase_kinematics == KINEMATICS_cleavage_opening_ID)) call kinematics_cleavage_opening_init if (any(phase_kinematics == KINEMATICS_cleavage_opening_ID)) call kinematics_cleavage_opening_init
if (any(phase_kinematics == KINEMATICS_slipplane_opening_ID)) call kinematics_slipplane_opening_init if (any(phase_kinematics == KINEMATICS_slipplane_opening_ID)) call kinematics_slipplane_opening_init
if (any(phase_kinematics == KINEMATICS_thermal_expansion_ID)) call kinematics_thermal_expansion_init if (any(phase_kinematics == KINEMATICS_thermal_expansion_ID)) call kinematics_thermal_expansion_init
write(6,'(/,a)') ' <<<+- constitutive init -+>>>'; flush(6) write(6,'(/,a)') ' <<<+- constitutive init -+>>>'; flush(6)
constitutive_plasticity_maxSizeDotState = 0 constitutive_plasticity_maxSizeDotState = 0
constitutive_source_maxSizeDotState = 0 constitutive_source_maxSizeDotState = 0
PhaseLoop2:do ph = 1,material_Nphase PhaseLoop2:do ph = 1,material_Nphase
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! partition and inititalize state ! partition and inititalize state
@ -398,7 +398,7 @@ function constitutive_homogenizedC(ipc,ip,el)
ipc, & !< component-ID of integration point ipc, & !< component-ID of integration point
ip, & !< integration point ip, & !< integration point
el !< element el !< element
plasticityType: select case (phase_plasticity(material_phaseAt(ipc,el))) plasticityType: select case (phase_plasticity(material_phaseAt(ipc,el)))
case (PLASTICITY_DISLOTWIN_ID) plasticityType case (PLASTICITY_DISLOTWIN_ID) plasticityType
constitutive_homogenizedC = plastic_dislotwin_homogenizedC(ipc,ip,el) constitutive_homogenizedC = plastic_dislotwin_homogenizedC(ipc,ip,el)
@ -412,23 +412,23 @@ end function constitutive_homogenizedC
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calls microstructure function of the different constitutive models !> @brief calls microstructure function of the different constitutive models
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine constitutive_microstructure(Fe, Fp, ipc, ip, el) subroutine constitutive_microstructure(F, Fp, ipc, ip, el)
integer, intent(in) :: & integer, intent(in) :: &
ipc, & !< component-ID of integration point ipc, & !< component-ID of integration point
ip, & !< integration point ip, & !< integration point
el !< element el !< element
real(pReal), intent(in), dimension(3,3) :: & real(pReal), intent(in), dimension(3,3) :: &
Fe, & !< elastic deformation gradient F, & !< elastic deformation gradient
Fp !< plastic deformation gradient Fp !< plastic deformation gradient
integer :: & integer :: &
ho, & !< homogenization ho, & !< homogenization
tme, & !< thermal member position tme, & !< thermal member position
instance, of instance, of
ho = material_homogenizationAt(el) ho = material_homogenizationAt(el)
tme = thermalMapping(ho)%p(ip,el) tme = thermalMapping(ho)%p(ip,el)
plasticityType: select case (phase_plasticity(material_phaseAt(ipc,el))) plasticityType: select case (phase_plasticity(material_phaseAt(ipc,el)))
case (PLASTICITY_DISLOTWIN_ID) plasticityType case (PLASTICITY_DISLOTWIN_ID) plasticityType
of = material_phasememberAt(ipc,ip,el) of = material_phasememberAt(ipc,ip,el)
@ -439,7 +439,7 @@ subroutine constitutive_microstructure(Fe, Fp, ipc, ip, el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el)) instance = phase_plasticityInstance(material_phaseAt(ipc,el))
call plastic_disloUCLA_dependentState(instance,of) call plastic_disloUCLA_dependentState(instance,of)
case (PLASTICITY_NONLOCAL_ID) plasticityType case (PLASTICITY_NONLOCAL_ID) plasticityType
call plastic_nonlocal_dependentState (Fe,Fp,ip,el) call plastic_nonlocal_dependentState (F,Fp,ip,el)
end select plasticityType end select plasticityType
end subroutine constitutive_microstructure end subroutine constitutive_microstructure
@ -451,7 +451,7 @@ end subroutine constitutive_microstructure
! Mp in, dLp_dMp out ! Mp in, dLp_dMp out
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, & subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
S, Fi, ipc, ip, el) S, Fi, ipc, ip, el)
integer, intent(in) :: & integer, intent(in) :: &
ipc, & !< component-ID of integration point ipc, & !< component-ID of integration point
ip, & !< integration point ip, & !< integration point
@ -473,49 +473,49 @@ subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
tme !< thermal member position tme !< thermal member position
integer :: & integer :: &
i, j, instance, of i, j, instance, of
ho = material_homogenizationAt(el) ho = material_homogenizationAt(el)
tme = thermalMapping(ho)%p(ip,el) tme = thermalMapping(ho)%p(ip,el)
Mp = matmul(matmul(transpose(Fi),Fi),S) Mp = matmul(matmul(transpose(Fi),Fi),S)
plasticityType: select case (phase_plasticity(material_phaseAt(ipc,el))) plasticityType: select case (phase_plasticity(material_phaseAt(ipc,el)))
case (PLASTICITY_NONE_ID) plasticityType case (PLASTICITY_NONE_ID) plasticityType
Lp = 0.0_pReal Lp = 0.0_pReal
dLp_dMp = 0.0_pReal dLp_dMp = 0.0_pReal
case (PLASTICITY_ISOTROPIC_ID) plasticityType case (PLASTICITY_ISOTROPIC_ID) plasticityType
of = material_phasememberAt(ipc,ip,el) of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el)) instance = phase_plasticityInstance(material_phaseAt(ipc,el))
call plastic_isotropic_LpAndItsTangent (Lp,dLp_dMp,Mp,instance,of) call plastic_isotropic_LpAndItsTangent (Lp,dLp_dMp,Mp,instance,of)
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
of = material_phasememberAt(ipc,ip,el) of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el)) instance = phase_plasticityInstance(material_phaseAt(ipc,el))
call plastic_phenopowerlaw_LpAndItsTangent (Lp,dLp_dMp,Mp,instance,of) call plastic_phenopowerlaw_LpAndItsTangent (Lp,dLp_dMp,Mp,instance,of)
case (PLASTICITY_KINEHARDENING_ID) plasticityType case (PLASTICITY_KINEHARDENING_ID) plasticityType
of = material_phasememberAt(ipc,ip,el) of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el)) instance = phase_plasticityInstance(material_phaseAt(ipc,el))
call plastic_kinehardening_LpAndItsTangent (Lp,dLp_dMp, Mp,instance,of) call plastic_kinehardening_LpAndItsTangent (Lp,dLp_dMp, Mp,instance,of)
case (PLASTICITY_NONLOCAL_ID) plasticityType case (PLASTICITY_NONLOCAL_ID) plasticityType
call plastic_nonlocal_LpAndItsTangent (Lp,dLp_dMp,Mp, & call plastic_nonlocal_LpAndItsTangent (Lp,dLp_dMp,Mp, &
temperature(ho)%p(tme),geometry_plastic_nonlocal_IPvolume0(ip,el),ip,el) temperature(ho)%p(tme),geometry_plastic_nonlocal_IPvolume0(ip,el),ip,el)
case (PLASTICITY_DISLOTWIN_ID) plasticityType case (PLASTICITY_DISLOTWIN_ID) plasticityType
of = material_phasememberAt(ipc,ip,el) of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el)) instance = phase_plasticityInstance(material_phaseAt(ipc,el))
call plastic_dislotwin_LpAndItsTangent (Lp,dLp_dMp,Mp,temperature(ho)%p(tme),instance,of) call plastic_dislotwin_LpAndItsTangent (Lp,dLp_dMp,Mp,temperature(ho)%p(tme),instance,of)
case (PLASTICITY_DISLOUCLA_ID) plasticityType case (PLASTICITY_DISLOUCLA_ID) plasticityType
of = material_phasememberAt(ipc,ip,el) of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el)) instance = phase_plasticityInstance(material_phaseAt(ipc,el))
call plastic_disloucla_LpAndItsTangent (Lp,dLp_dMp,Mp,temperature(ho)%p(tme),instance,of) call plastic_disloucla_LpAndItsTangent (Lp,dLp_dMp,Mp,temperature(ho)%p(tme),instance,of)
end select plasticityType end select plasticityType
do i=1,3; do j=1,3 do i=1,3; do j=1,3
dLp_dFi(i,j,1:3,1:3) = matmul(matmul(Fi,S),transpose(dLp_dMp(i,j,1:3,1:3))) + & dLp_dFi(i,j,1:3,1:3) = matmul(matmul(Fi,S),transpose(dLp_dMp(i,j,1:3,1:3))) + &
matmul(matmul(Fi,dLp_dMp(i,j,1:3,1:3)),S) matmul(matmul(Fi,dLp_dMp(i,j,1:3,1:3)),S)
@ -545,7 +545,7 @@ subroutine constitutive_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
real(pReal), intent(out), dimension(3,3,3,3) :: & real(pReal), intent(out), dimension(3,3,3,3) :: &
dLi_dS, & !< derivative of Li with respect to S dLi_dS, & !< derivative of Li with respect to S
dLi_dFi dLi_dFi
real(pReal), dimension(3,3) :: & real(pReal), dimension(3,3) :: &
my_Li, & !< intermediate velocity gradient my_Li, & !< intermediate velocity gradient
FiInv, & FiInv, &
@ -557,11 +557,11 @@ subroutine constitutive_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
integer :: & integer :: &
k, i, j, & k, i, j, &
instance, of instance, of
Li = 0.0_pReal Li = 0.0_pReal
dLi_dS = 0.0_pReal dLi_dS = 0.0_pReal
dLi_dFi = 0.0_pReal dLi_dFi = 0.0_pReal
plasticityType: select case (phase_plasticity(material_phaseAt(ipc,el))) plasticityType: select case (phase_plasticity(material_phaseAt(ipc,el)))
case (PLASTICITY_isotropic_ID) plasticityType case (PLASTICITY_isotropic_ID) plasticityType
of = material_phasememberAt(ipc,ip,el) of = material_phasememberAt(ipc,ip,el)
@ -571,10 +571,10 @@ subroutine constitutive_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
my_Li = 0.0_pReal my_Li = 0.0_pReal
my_dLi_dS = 0.0_pReal my_dLi_dS = 0.0_pReal
end select plasticityType end select plasticityType
Li = Li + my_Li Li = Li + my_Li
dLi_dS = dLi_dS + my_dLi_dS dLi_dS = dLi_dS + my_dLi_dS
KinematicsLoop: do k = 1, phase_Nkinematics(material_phaseAt(ipc,el)) KinematicsLoop: do k = 1, phase_Nkinematics(material_phaseAt(ipc,el))
kinematicsType: select case (phase_kinematics(k,material_phaseAt(ipc,el))) kinematicsType: select case (phase_kinematics(k,material_phaseAt(ipc,el)))
case (KINEMATICS_cleavage_opening_ID) kinematicsType case (KINEMATICS_cleavage_opening_ID) kinematicsType
@ -590,12 +590,12 @@ subroutine constitutive_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
Li = Li + my_Li Li = Li + my_Li
dLi_dS = dLi_dS + my_dLi_dS dLi_dS = dLi_dS + my_dLi_dS
enddo KinematicsLoop enddo KinematicsLoop
FiInv = math_inv33(Fi) FiInv = math_inv33(Fi)
detFi = math_det33(Fi) detFi = math_det33(Fi)
Li = matmul(matmul(Fi,Li),FiInv)*detFi !< push forward to intermediate configuration Li = matmul(matmul(Fi,Li),FiInv)*detFi !< push forward to intermediate configuration
temp_33 = matmul(FiInv,Li) temp_33 = matmul(FiInv,Li)
do i = 1,3; do j = 1,3 do i = 1,3; do j = 1,3
dLi_dS(1:3,1:3,i,j) = matmul(matmul(Fi,dLi_dS(1:3,1:3,i,j)),FiInv)*detFi dLi_dS(1:3,1:3,i,j) = matmul(matmul(Fi,dLi_dS(1:3,1:3,i,j)),FiInv)*detFi
dLi_dFi(1:3,1:3,i,j) = dLi_dFi(1:3,1:3,i,j) + Li*FiInv(j,i) dLi_dFi(1:3,1:3,i,j) = dLi_dFi(1:3,1:3,i,j) + Li*FiInv(j,i)
@ -621,10 +621,10 @@ pure function constitutive_initialFi(ipc, ip, el)
integer :: & integer :: &
phase, & phase, &
homog, offset homog, offset
constitutive_initialFi = math_I3 constitutive_initialFi = math_I3
phase = material_phaseAt(ipc,el) phase = material_phaseAt(ipc,el)
KinematicsLoop: do k = 1, phase_Nkinematics(phase) !< Warning: small initial strain assumption KinematicsLoop: do k = 1, phase_Nkinematics(phase) !< Warning: small initial strain assumption
kinematicsType: select case (phase_kinematics(k,phase)) kinematicsType: select case (phase_kinematics(k,phase))
case (KINEMATICS_thermal_expansion_ID) kinematicsType case (KINEMATICS_thermal_expansion_ID) kinematicsType
@ -640,7 +640,7 @@ end function constitutive_initialFi
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief returns the 2nd Piola-Kirchhoff stress tensor and its tangent with respect to !> @brief returns the 2nd Piola-Kirchhoff stress tensor and its tangent with respect to
!> the elastic/intermediate deformation gradients depending on the selected elastic law !> the elastic/intermediate deformation gradients depending on the selected elastic law
!! (so far no case switch because only Hooke is implemented) !! (so far no case switch because only Hooke is implemented)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine constitutive_SandItsTangents(S, dS_dFe, dS_dFi, Fe, Fi, ipc, ip, el) subroutine constitutive_SandItsTangents(S, dS_dFe, dS_dFi, Fe, Fi, ipc, ip, el)
@ -690,17 +690,17 @@ subroutine constitutive_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
d !< counter in degradation loop d !< counter in degradation loop
integer :: & integer :: &
i, j i, j
ho = material_homogenizationAt(el) ho = material_homogenizationAt(el)
C = math_66toSym3333(constitutive_homogenizedC(ipc,ip,el)) C = math_66toSym3333(constitutive_homogenizedC(ipc,ip,el))
DegradationLoop: do d = 1, phase_NstiffnessDegradations(material_phaseAt(ipc,el)) DegradationLoop: do d = 1, phase_NstiffnessDegradations(material_phaseAt(ipc,el))
degradationType: select case(phase_stiffnessDegradation(d,material_phaseAt(ipc,el))) degradationType: select case(phase_stiffnessDegradation(d,material_phaseAt(ipc,el)))
case (STIFFNESS_DEGRADATION_damage_ID) degradationType case (STIFFNESS_DEGRADATION_damage_ID) degradationType
C = C * damage(ho)%p(damageMapping(ho)%p(ip,el))**2 C = C * damage(ho)%p(damageMapping(ho)%p(ip,el))**2
end select degradationType end select degradationType
enddo DegradationLoop enddo DegradationLoop
E = 0.5_pReal*(matmul(transpose(Fe),Fe)-math_I3) !< Green-Lagrange strain in unloaded configuration E = 0.5_pReal*(matmul(transpose(Fe),Fe)-math_I3) !< Green-Lagrange strain in unloaded configuration
S = math_mul3333xx33(C,matmul(matmul(transpose(Fi),E),Fi)) !< 2PK stress in lattice configuration in work conjugate with GL strain pulled back to lattice configuration S = math_mul3333xx33(C,matmul(matmul(transpose(Fi),E),Fi)) !< 2PK stress in lattice configuration in work conjugate with GL strain pulled back to lattice configuration
@ -715,7 +715,7 @@ end subroutine constitutive_hooke_SandItsTangents
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the rate of change of microstructure !> @brief contains the constitutive equation for calculating the rate of change of microstructure
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine constitutive_collectDotState(S, FeArray, Fi, FpArray, subdt, ipc, ip, el) subroutine constitutive_collectDotState(S, FArray, Fi, FpArray, subdt, ipc, ip, el)
integer, intent(in) :: & integer, intent(in) :: &
ipc, & !< component-ID of integration point ipc, & !< component-ID of integration point
@ -724,7 +724,7 @@ subroutine constitutive_collectDotState(S, FeArray, Fi, FpArray, subdt, ipc, ip,
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
subdt !< timestep subdt !< timestep
real(pReal), intent(in), dimension(3,3,homogenization_maxNgrains,discretization_nIP,discretization_nElem) :: & real(pReal), intent(in), dimension(3,3,homogenization_maxNgrains,discretization_nIP,discretization_nElem) :: &
FeArray, & !< elastic deformation gradient FArray, & !< elastic deformation gradient
FpArray !< plastic deformation gradient FpArray !< plastic deformation gradient
real(pReal), intent(in), dimension(3,3) :: & real(pReal), intent(in), dimension(3,3) :: &
Fi !< intermediate deformation gradient Fi !< intermediate deformation gradient
@ -771,7 +771,7 @@ subroutine constitutive_collectDotState(S, FeArray, Fi, FpArray, subdt, ipc, ip,
call plastic_disloucla_dotState (Mp,temperature(ho)%p(tme),instance,of) call plastic_disloucla_dotState (Mp,temperature(ho)%p(tme),instance,of)
case (PLASTICITY_NONLOCAL_ID) plasticityType case (PLASTICITY_NONLOCAL_ID) plasticityType
call plastic_nonlocal_dotState (Mp,FeArray,FpArray,temperature(ho)%p(tme), & call plastic_nonlocal_dotState (Mp,FArray,FpArray,temperature(ho)%p(tme), &
subdt,ip,el) subdt,ip,el)
end select plasticityType end select plasticityType
@ -858,32 +858,32 @@ subroutine constitutive_results
do p=1,size(config_name_phase) do p=1,size(config_name_phase)
group = trim('current/constituent')//'/'//trim(config_name_phase(p)) group = trim('current/constituent')//'/'//trim(config_name_phase(p))
call results_closeGroup(results_addGroup(group)) call results_closeGroup(results_addGroup(group))
group = trim(group)//'/plastic' group = trim(group)//'/plastic'
call results_closeGroup(results_addGroup(group)) call results_closeGroup(results_addGroup(group))
select case(phase_plasticity(p)) select case(phase_plasticity(p))
case(PLASTICITY_ISOTROPIC_ID) case(PLASTICITY_ISOTROPIC_ID)
call plastic_isotropic_results(phase_plasticityInstance(p),group) call plastic_isotropic_results(phase_plasticityInstance(p),group)
case(PLASTICITY_PHENOPOWERLAW_ID) case(PLASTICITY_PHENOPOWERLAW_ID)
call plastic_phenopowerlaw_results(phase_plasticityInstance(p),group) call plastic_phenopowerlaw_results(phase_plasticityInstance(p),group)
case(PLASTICITY_KINEHARDENING_ID) case(PLASTICITY_KINEHARDENING_ID)
call plastic_kinehardening_results(phase_plasticityInstance(p),group) call plastic_kinehardening_results(phase_plasticityInstance(p),group)
case(PLASTICITY_DISLOTWIN_ID) case(PLASTICITY_DISLOTWIN_ID)
call plastic_dislotwin_results(phase_plasticityInstance(p),group) call plastic_dislotwin_results(phase_plasticityInstance(p),group)
case(PLASTICITY_DISLOUCLA_ID) case(PLASTICITY_DISLOUCLA_ID)
call plastic_disloUCLA_results(phase_plasticityInstance(p),group) call plastic_disloUCLA_results(phase_plasticityInstance(p),group)
case(PLASTICITY_NONLOCAL_ID) case(PLASTICITY_NONLOCAL_ID)
call plastic_nonlocal_results(phase_plasticityInstance(p),group) call plastic_nonlocal_results(phase_plasticityInstance(p),group)
end select end select
enddo enddo
end subroutine constitutive_results end subroutine constitutive_results

699
src/constitutive_plastic_nonlocal.f90
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8
src/crystallite.f90
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@ -264,8 +264,8 @@ subroutine crystallite_init
do e = FEsolving_execElem(1),FEsolving_execElem(2) do e = FEsolving_execElem(1),FEsolving_execElem(2)
do i = FEsolving_execIP(1),FEsolving_execIP(2) do i = FEsolving_execIP(1),FEsolving_execIP(2)
do c = 1,homogenization_Ngrains(material_homogenizationAt(e)) do c = 1,homogenization_Ngrains(material_homogenizationAt(e))
call constitutive_microstructure(crystallite_Fe(1:3,1:3,c,i,e), & call constitutive_microstructure(crystallite_partionedF0(1:3,1:3,c,i,e), &
crystallite_Fp(1:3,1:3,c,i,e), & crystallite_partionedFp0(1:3,1:3,c,i,e), &
c,i,e) ! update dependent state variables to be consistent with basic states c,i,e) ! update dependent state variables to be consistent with basic states
enddo enddo
enddo enddo
@ -1963,9 +1963,9 @@ subroutine update_dotState(timeFraction)
!$OMP FLUSH(nonlocalStop) !$OMP FLUSH(nonlocalStop)
if ((crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) .and. .not. nonlocalStop) then if ((crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) .and. .not. nonlocalStop) then
call constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), & call constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
crystallite_Fe, & crystallite_partionedF0, &
crystallite_Fi(1:3,1:3,g,i,e), & crystallite_Fi(1:3,1:3,g,i,e), &
crystallite_Fp, & crystallite_partionedFp0, &
crystallite_subdt(g,i,e)*timeFraction, g,i,e) crystallite_subdt(g,i,e)*timeFraction, g,i,e)
p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e) p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e)
NaN = any(IEEE_is_NaN(plasticState(p)%dotState(:,c))) NaN = any(IEEE_is_NaN(plasticState(p)%dotState(:,c)))

9
src/debug.f90
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@ -37,10 +37,9 @@ module debug
debug_HOMOGENIZATION = 9, & debug_HOMOGENIZATION = 9, &
debug_CPFEM = 10, & debug_CPFEM = 10, &
debug_SPECTRAL = 11, & debug_SPECTRAL = 11, &
debug_MARC = 12, & debug_MARC = 12
debug_ABAQUS = 13
integer, parameter, private :: & integer, parameter, private :: &
debug_MAXNTYPE = debug_ABAQUS !< must be set to the maximum defined debug type debug_MAXNTYPE = debug_MARC !< must be set to the maximum defined debug type
integer,protected, dimension(debug_maxNtype+2), public :: & ! specific ones, and 2 for "all" and "other" integer,protected, dimension(debug_maxNtype+2), public :: & ! specific ones, and 2 for "all" and "other"
debug_level = 0 debug_level = 0
@ -136,8 +135,6 @@ subroutine debug_init
what = debug_SPECTRAL what = debug_SPECTRAL
case ('marc') case ('marc')
what = debug_MARC what = debug_MARC
case ('abaqus')
what = debug_ABAQUS
case ('all') case ('all')
what = debug_MAXNTYPE + 1 what = debug_MAXNTYPE + 1
case ('other') case ('other')
@ -210,8 +207,6 @@ subroutine debug_init
tag = ' Spectral solver' tag = ' Spectral solver'
case (debug_MARC) case (debug_MARC)
tag = ' MSC.MARC FEM solver' tag = ' MSC.MARC FEM solver'
case (debug_ABAQUS)
tag = ' ABAQUS FEM solver'
end select end select
if(debug_level(i) /= 0) then if(debug_level(i) /= 0) then

2822
src/mesh_abaqus.f90
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4
src/prec.f90
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@ -12,11 +12,7 @@ module prec
implicit none implicit none
public public
! https://software.intel.com/en-us/blogs/2017/03/27/doctor-fortran-in-it-takes-all-kinds ! https://software.intel.com/en-us/blogs/2017/03/27/doctor-fortran-in-it-takes-all-kinds
#ifdef Abaqus
integer, parameter, public :: pReal = selected_real_kind(15,307) !< number with 15 significant digits, up to 1e+-307 (typically 64 bit)
#else
integer, parameter, public :: pReal = IEEE_selected_real_kind(15,307) !< number with 15 significant digits, up to 1e+-307 (typically 64 bit) integer, parameter, public :: pReal = IEEE_selected_real_kind(15,307) !< number with 15 significant digits, up to 1e+-307 (typically 64 bit)
#endif
#if(INT==8) #if(INT==8)
integer, parameter, public :: pInt = selected_int_kind(18) !< number with at least up to +-1e18 (typically 64 bit) integer, parameter, public :: pInt = selected_int_kind(18) !< number with at least up to +-1e18 (typically 64 bit)
#else #else