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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 ----------------------------------------------
MSC: "$MSC2019"
IntelMarc: "$IntelCompiler17_8"
IntelAbaqus: "$IntelCompiler16_4"
HDF5Marc: "HDF5/1.10.5/Intel-17.8"
# ++++++++++++ Documentation ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Doxygen1_8_15: "Documentation/Doxygen/1.8.15"
@ -476,15 +475,6 @@ createTar:
- 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:
stage: createDocumentation
script:

6
DAMASK_prerequisites.sh
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@ -122,9 +122,3 @@ done
firstLevel "CMake"
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 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
endif
setenv MSC_ROOT
setenv ABAQUS_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
spectral # DAMASK_spectral.f90 possible values: basic, fft, restart, divergence, rotation, petsc
marc # MSC.MARC FEM solver possible values: basic
abaqus # ABAQUS FEM solver possible values: basic
#
# Parameters for selective
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)
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
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 ##
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',
'MSC_ROOT',
'MARC_VERSION',
'ABAQUS_VERSION',
]:
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 .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")
endif()
file (GLOB damask-sources *.f90 *.c)
file(GLOB damask-sources *.f90 *.c)
# probably we should have subfolders for abaqus and MSC.Marc
list (FILTER damask-sources EXCLUDE REGEX ".*CPFEM.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_abaqus.*.f90")
list (FILTER damask-sources EXCLUDE REGEX ".*commercialFEM_fileList.*.f90")
# probably we should have a subfolder for MSC.Marc
list(FILTER damask-sources EXCLUDE REGEX ".*CPFEM.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 ".*commercialFEM_fileList.*.f90")
if (PROJECT_NAME STREQUAL "damask-grid")
list (FILTER damask-sources EXCLUDE REGEX ".*mesh_FEM.*.f90")
file (GLOB grid-sources grid/*.f90)
list(FILTER damask-sources EXCLUDE REGEX ".*mesh_FEM.*.f90")
file(GLOB grid-sources grid/*.f90)
if (NOT CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
add_executable (DAMASK_spectral ${damask-sources} ${grid-sources})
if(NOT CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
add_executable(DAMASK_spectral ${damask-sources} ${grid-sources})
install (TARGETS DAMASK_spectral RUNTIME DESTINATION bin)
else()
add_library (DAMASK_spectral OBJECT ${damask-sources} ${grid-sources})
else()
add_library(DAMASK_spectral OBJECT ${damask-sources} ${grid-sources})
exec_program (mktemp OUTPUT_VARIABLE nothing)
exec_program (mktemp ARGS -d OUTPUT_VARIABLE black_hole)
install (PROGRAMS ${nothing} DESTINATION ${black_hole})
endif()
endif()
elseif (PROJECT_NAME STREQUAL "damask-mesh")
list (FILTER damask-sources EXCLUDE REGEX ".*mesh_grid.*.f90")
file (GLOB mesh-sources mesh/*.f90)
list(FILTER damask-sources EXCLUDE REGEX ".*mesh_grid.*.f90")
file(GLOB mesh-sources mesh/*.f90)
add_executable (DAMASK_FEM ${damask-sources} ${mesh-sources})
install (TARGETS DAMASK_FEM RUNTIME DESTINATION bin)
add_executable(DAMASK_FEM ${damask-sources} ${mesh-sources})
install (TARGETS DAMASK_FEM RUNTIME DESTINATION bin)
endif()

3
src/CPFEM.f90
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@ -39,8 +39,7 @@ module CPFEM
integer(pInt), public :: &
cycleCounter = 0_pInt, & !< needs description
theInc = -1_pInt, & !< needs description
lastLovl = 0_pInt, & !< lovl in previous call to marc hypela2
lastStep = 0_pInt !< kstep in previous call to abaqus umat
lastLovl = 0_pInt !< lovl in previous call to marc hypela2
real(pReal), public :: &
theTime = 0.0_pReal, & !< needs description
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_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 :: &
calcMode !< do calculation or simply collect when using ping pong scheme
#endif

242
src/IO.f90
View File

@ -33,16 +33,6 @@ module IO
IO_lc, &
IO_error, &
IO_warning
#if defined(Marc4DAMASK) || defined(Abaqus)
public :: &
IO_open_inputFile
#if defined(Abaqus)
public :: &
IO_continuousIntValues, &
IO_extractValue, &
IO_countDataLines
#endif
#endif
contains
@ -175,94 +165,6 @@ integer function IO_open_binary(fileName,mode)
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
!--------------------------------------------------------------------------------------------------
@ -419,7 +321,6 @@ end function IO_lc
!--------------------------------------------------------------------------------------------------
!> @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)
@ -608,29 +509,6 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
case (894)
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
@ -751,126 +629,6 @@ subroutine IO_warning(warning_ID,el,ip,g,ext_msg)
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

5
src/commercialFEM_fileList.f90
View File

@ -1,7 +1,7 @@
!--------------------------------------------------------------------------------------------------
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @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 "numerics.f90"
@ -19,9 +19,6 @@
#include "results.f90"
#include "geometry_plastic_nonlocal.f90"
#include "discretization.f90"
#ifdef Abaqus
#include "mesh_abaqus.f90"
#endif
#ifdef Marc4DAMASK
#include "mesh_marc.f90"
#endif

204
src/constitutive.f90
View File

@ -25,44 +25,44 @@ module constitutive
use kinematics_cleavage_opening
use kinematics_slipplane_opening
use kinematics_thermal_expansion
implicit none
private
integer, public, protected :: &
constitutive_plasticity_maxSizeDotState, &
constitutive_source_maxSizeDotState
interface
module subroutine plastic_none_init
end subroutine plastic_none_init
module subroutine plastic_isotropic_init
end subroutine plastic_isotropic_init
module subroutine plastic_phenopowerlaw_init
end subroutine plastic_phenopowerlaw_init
module subroutine plastic_kinehardening_init
end subroutine plastic_kinehardening_init
module subroutine plastic_dislotwin_init
end subroutine plastic_dislotwin_init
module subroutine plastic_disloUCLA_init
end subroutine plastic_disloUCLA_init
module subroutine plastic_nonlocal_init
end subroutine plastic_nonlocal_init
module subroutine plastic_isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
@ -75,20 +75,20 @@ module constitutive
Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
of
end subroutine plastic_phenopowerlaw_LpAndItsTangent
pure module subroutine plastic_kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
@ -101,7 +101,7 @@ module constitutive
Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
@ -110,13 +110,13 @@ module constitutive
instance, &
of
end subroutine plastic_dislotwin_LpAndItsTangent
pure module subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
@ -125,14 +125,14 @@ module constitutive
instance, &
of
end subroutine plastic_disloUCLA_LpAndItsTangent
module subroutine plastic_nonlocal_LpAndItsTangent(Lp, dLp_dMp, &
Mp, Temperature, volume, ip, el)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
@ -149,15 +149,15 @@ module constitutive
Li !< inleastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLi_dMi !< derivative of Li with respect to Mandel stress
real(pReal), dimension(3,3), intent(in) :: &
Mi !< Mandel stress
Mi !< Mandel stress
integer, intent(in) :: &
instance, &
of
end subroutine plastic_isotropic_LiAndItsTangent
module subroutine plastic_isotropic_dotState(Mp,instance,of)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
@ -165,7 +165,7 @@ module constitutive
instance, &
of
end subroutine plastic_isotropic_dotState
module subroutine plastic_phenopowerlaw_dotState(Mp,instance,of)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
@ -173,7 +173,7 @@ module constitutive
instance, &
of
end subroutine plastic_phenopowerlaw_dotState
module subroutine plastic_kinehardening_dotState(Mp,instance,of)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
@ -181,7 +181,7 @@ module constitutive
instance, &
of
end subroutine plastic_kinehardening_dotState
module subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
@ -201,8 +201,8 @@ module constitutive
instance, &
of
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)
integer, intent(in) :: &
ip, & !< current integration point
@ -213,11 +213,11 @@ module constitutive
real(pReal), dimension(3,3), intent(in) ::&
Mp !< MandelStress
real(pReal), dimension(3,3,homogenization_maxNgrains,discretization_nIP,discretization_nElem), intent(in) :: &
Fe, & !< elastic deformation gradient
F, & !< deformation gradient
Fp !< plastic deformation gradient
end subroutine plastic_nonlocal_dotState
module subroutine plastic_dislotwin_dependentState(T,instance,of)
integer, intent(in) :: &
instance, &
@ -225,19 +225,19 @@ module constitutive
real(pReal), intent(in) :: &
T
end subroutine plastic_dislotwin_dependentState
module subroutine plastic_disloUCLA_dependentState(instance,of)
integer, intent(in) :: &
instance, &
of
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) :: &
ip, &
el
real(pReal), dimension(3,3), intent(in) :: &
Fe, &
F, &
Fp
end subroutine plastic_nonlocal_dependentState
@ -249,7 +249,7 @@ module constitutive
instance, &
of
end subroutine plastic_kinehardening_deltaState
module subroutine plastic_nonlocal_deltaState(Mp,ip,el)
integer, intent(in) :: &
ip, &
@ -267,48 +267,48 @@ module constitutive
ip, & !< integration point
el !< element
end function plastic_dislotwin_homogenizedC
module subroutine plastic_nonlocal_updateCompatibility(orientation,i,e)
module subroutine plastic_nonlocal_updateCompatibility(orientation,i,e)
integer, intent(in) :: &
i, &
e
type(rotation), dimension(1,discretization_nIP,discretization_nElem), intent(in) :: &
orientation !< crystal orientation
end subroutine plastic_nonlocal_updateCompatibility
module subroutine plastic_isotropic_results(instance,group)
integer, intent(in) :: instance
character(len=*), intent(in) :: group
end subroutine plastic_isotropic_results
module subroutine plastic_phenopowerlaw_results(instance,group)
integer, intent(in) :: instance
character(len=*), intent(in) :: group
end subroutine plastic_phenopowerlaw_results
module subroutine plastic_kinehardening_results(instance,group)
integer, intent(in) :: instance
character(len=*), intent(in) :: group
end subroutine plastic_kinehardening_results
module subroutine plastic_dislotwin_results(instance,group)
integer, intent(in) :: instance
character(len=*), intent(in) :: group
end subroutine plastic_dislotwin_results
module subroutine plastic_disloUCLA_results(instance,group)
integer, intent(in) :: instance
character(len=*), intent(in) :: group
end subroutine plastic_disloUCLA_results
module subroutine plastic_nonlocal_results(instance,group)
integer, intent(in) :: instance
character(len=*), intent(in) :: group
end subroutine plastic_nonlocal_results
end interface
public :: &
plastic_nonlocal_updateCompatibility, &
constitutive_init, &
@ -321,7 +321,7 @@ module constitutive
constitutive_collectDotState, &
constitutive_collectDeltaState, &
constitutive_results
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_anisoBrittle_ID)) call source_damage_anisoBrittle_init
if (any(phase_source == SOURCE_damage_anisoDuctile_ID)) call source_damage_anisoDuctile_init
!--------------------------------------------------------------------------------------------------
! initialize kinematic mechanisms
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_thermal_expansion_ID)) call kinematics_thermal_expansion_init
write(6,'(/,a)') ' <<<+- constitutive init -+>>>'; flush(6)
constitutive_plasticity_maxSizeDotState = 0
constitutive_source_maxSizeDotState = 0
PhaseLoop2:do ph = 1,material_Nphase
!--------------------------------------------------------------------------------------------------
! partition and inititalize state
@ -398,7 +398,7 @@ function constitutive_homogenizedC(ipc,ip,el)
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
plasticityType: select case (phase_plasticity(material_phaseAt(ipc,el)))
case (PLASTICITY_DISLOTWIN_ID) plasticityType
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
!--------------------------------------------------------------------------------------------------
subroutine constitutive_microstructure(Fe, Fp, ipc, ip, el)
subroutine constitutive_microstructure(F, Fp, ipc, ip, el)
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
real(pReal), intent(in), dimension(3,3) :: &
Fe, & !< elastic deformation gradient
F, & !< elastic deformation gradient
Fp !< plastic deformation gradient
integer :: &
ho, & !< homogenization
tme, & !< thermal member position
instance, of
ho = material_homogenizationAt(el)
tme = thermalMapping(ho)%p(ip,el)
plasticityType: select case (phase_plasticity(material_phaseAt(ipc,el)))
case (PLASTICITY_DISLOTWIN_ID) plasticityType
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))
call plastic_disloUCLA_dependentState(instance,of)
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 subroutine constitutive_microstructure
@ -451,7 +451,7 @@ end subroutine constitutive_microstructure
! Mp in, dLp_dMp out
!--------------------------------------------------------------------------------------------------
subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
S, Fi, ipc, ip, el)
S, Fi, ipc, ip, el)
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
@ -473,49 +473,49 @@ subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
tme !< thermal member position
integer :: &
i, j, instance, of
ho = material_homogenizationAt(el)
tme = thermalMapping(ho)%p(ip,el)
Mp = matmul(matmul(transpose(Fi),Fi),S)
plasticityType: select case (phase_plasticity(material_phaseAt(ipc,el)))
case (PLASTICITY_NONE_ID) plasticityType
Lp = 0.0_pReal
dLp_dMp = 0.0_pReal
case (PLASTICITY_ISOTROPIC_ID) plasticityType
of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el))
call plastic_isotropic_LpAndItsTangent (Lp,dLp_dMp,Mp,instance,of)
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el))
call plastic_phenopowerlaw_LpAndItsTangent (Lp,dLp_dMp,Mp,instance,of)
case (PLASTICITY_KINEHARDENING_ID) plasticityType
of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el))
call plastic_kinehardening_LpAndItsTangent (Lp,dLp_dMp, Mp,instance,of)
case (PLASTICITY_NONLOCAL_ID) plasticityType
call plastic_nonlocal_LpAndItsTangent (Lp,dLp_dMp,Mp, &
temperature(ho)%p(tme),geometry_plastic_nonlocal_IPvolume0(ip,el),ip,el)
case (PLASTICITY_DISLOTWIN_ID) plasticityType
of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el))
call plastic_dislotwin_LpAndItsTangent (Lp,dLp_dMp,Mp,temperature(ho)%p(tme),instance,of)
case (PLASTICITY_DISLOUCLA_ID) plasticityType
of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el))
call plastic_disloucla_LpAndItsTangent (Lp,dLp_dMp,Mp,temperature(ho)%p(tme),instance,of)
end select plasticityType
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))) + &
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) :: &
dLi_dS, & !< derivative of Li with respect to S
dLi_dFi
real(pReal), dimension(3,3) :: &
my_Li, & !< intermediate velocity gradient
FiInv, &
@ -557,11 +557,11 @@ subroutine constitutive_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
integer :: &
k, i, j, &
instance, of
Li = 0.0_pReal
dLi_dS = 0.0_pReal
dLi_dFi = 0.0_pReal
plasticityType: select case (phase_plasticity(material_phaseAt(ipc,el)))
case (PLASTICITY_isotropic_ID) plasticityType
of = material_phasememberAt(ipc,ip,el)
@ -571,10 +571,10 @@ subroutine constitutive_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
my_Li = 0.0_pReal
my_dLi_dS = 0.0_pReal
end select plasticityType
Li = Li + my_Li
dLi_dS = dLi_dS + my_dLi_dS
KinematicsLoop: do k = 1, phase_Nkinematics(material_phaseAt(ipc,el))
kinematicsType: select case (phase_kinematics(k,material_phaseAt(ipc,el)))
case (KINEMATICS_cleavage_opening_ID) kinematicsType
@ -590,12 +590,12 @@ subroutine constitutive_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
Li = Li + my_Li
dLi_dS = dLi_dS + my_dLi_dS
enddo KinematicsLoop
FiInv = math_inv33(Fi)
detFi = math_det33(Fi)
Li = matmul(matmul(Fi,Li),FiInv)*detFi !< push forward to intermediate configuration
temp_33 = matmul(FiInv,Li)
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_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 :: &
phase, &
homog, offset
constitutive_initialFi = math_I3
phase = material_phaseAt(ipc,el)
KinematicsLoop: do k = 1, phase_Nkinematics(phase) !< Warning: small initial strain assumption
kinematicsType: select case (phase_kinematics(k,phase))
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
!> 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)
!--------------------------------------------------------------------------------------------------
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
integer :: &
i, j
ho = material_homogenizationAt(el)
C = math_66toSym3333(constitutive_homogenizedC(ipc,ip,el))
DegradationLoop: do d = 1, phase_NstiffnessDegradations(material_phaseAt(ipc,el))
degradationType: select case(phase_stiffnessDegradation(d,material_phaseAt(ipc,el)))
case (STIFFNESS_DEGRADATION_damage_ID) degradationType
C = C * damage(ho)%p(damageMapping(ho)%p(ip,el))**2
end select degradationType
enddo DegradationLoop
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
@ -715,7 +715,7 @@ end subroutine constitutive_hooke_SandItsTangents
!--------------------------------------------------------------------------------------------------
!> @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) :: &
ipc, & !< component-ID of integration point
@ -724,7 +724,7 @@ subroutine constitutive_collectDotState(S, FeArray, Fi, FpArray, subdt, ipc, ip,
real(pReal), intent(in) :: &
subdt !< timestep
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
real(pReal), intent(in), dimension(3,3) :: &
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)
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)
end select plasticityType
@ -858,32 +858,32 @@ subroutine constitutive_results
do p=1,size(config_name_phase)
group = trim('current/constituent')//'/'//trim(config_name_phase(p))
call results_closeGroup(results_addGroup(group))
group = trim(group)//'/plastic'
call results_closeGroup(results_addGroup(group))
call results_closeGroup(results_addGroup(group))
select case(phase_plasticity(p))
case(PLASTICITY_ISOTROPIC_ID)
call plastic_isotropic_results(phase_plasticityInstance(p),group)
call plastic_isotropic_results(phase_plasticityInstance(p),group)
case(PLASTICITY_PHENOPOWERLAW_ID)
call plastic_phenopowerlaw_results(phase_plasticityInstance(p),group)
call plastic_phenopowerlaw_results(phase_plasticityInstance(p),group)
case(PLASTICITY_KINEHARDENING_ID)
call plastic_kinehardening_results(phase_plasticityInstance(p),group)
call plastic_kinehardening_results(phase_plasticityInstance(p),group)
case(PLASTICITY_DISLOTWIN_ID)
call plastic_dislotwin_results(phase_plasticityInstance(p),group)
call plastic_dislotwin_results(phase_plasticityInstance(p),group)
case(PLASTICITY_DISLOUCLA_ID)
call plastic_disloUCLA_results(phase_plasticityInstance(p),group)
call plastic_disloUCLA_results(phase_plasticityInstance(p),group)
case(PLASTICITY_NONLOCAL_ID)
call plastic_nonlocal_results(phase_plasticityInstance(p),group)
call plastic_nonlocal_results(phase_plasticityInstance(p),group)
end select
enddo
enddo
end subroutine constitutive_results

699
src/constitutive_plastic_nonlocal.f90
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File diff suppressed because it is too large Load Diff

8
src/crystallite.f90
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@ -264,8 +264,8 @@ subroutine crystallite_init
do e = FEsolving_execElem(1),FEsolving_execElem(2)
do i = FEsolving_execIP(1),FEsolving_execIP(2)
do c = 1,homogenization_Ngrains(material_homogenizationAt(e))
call constitutive_microstructure(crystallite_Fe(1:3,1:3,c,i,e), &
crystallite_Fp(1:3,1:3,c,i,e), &
call constitutive_microstructure(crystallite_partionedF0(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
enddo
enddo
@ -1963,9 +1963,9 @@ subroutine update_dotState(timeFraction)
!$OMP FLUSH(nonlocalStop)
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), &
crystallite_Fe, &
crystallite_partionedF0, &
crystallite_Fi(1:3,1:3,g,i,e), &
crystallite_Fp, &
crystallite_partionedFp0, &
crystallite_subdt(g,i,e)*timeFraction, g,i,e)
p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e)
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_CPFEM = 10, &
debug_SPECTRAL = 11, &
debug_MARC = 12, &
debug_ABAQUS = 13
debug_MARC = 12
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"
debug_level = 0
@ -136,8 +135,6 @@ subroutine debug_init
what = debug_SPECTRAL
case ('marc')
what = debug_MARC
case ('abaqus')
what = debug_ABAQUS
case ('all')
what = debug_MAXNTYPE + 1
case ('other')
@ -210,8 +207,6 @@ subroutine debug_init
tag = ' Spectral solver'
case (debug_MARC)
tag = ' MSC.MARC FEM solver'
case (debug_ABAQUS)
tag = ' ABAQUS FEM solver'
end select
if(debug_level(i) /= 0) then

2822
src/mesh_abaqus.f90
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File diff suppressed because it is too large Load Diff

4
src/prec.f90
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@ -12,11 +12,7 @@ module prec
implicit none
public
! 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)
#endif
#if(INT==8)
integer, parameter, public :: pInt = selected_int_kind(18) !< number with at least up to +-1e18 (typically 64 bit)
#else