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DAMASK_EICMD
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Merge branch 'development' into Marc2022.1

This commit is contained in:
Franz Roters 2022-05-06 18:18:55 +02:00
parent da595d46db ca95282911
commit 7eddfab994
21 changed files with 178 additions and 192 deletions
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4
.gitlab-ci.yml
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@ -164,8 +164,8 @@ setup_Marc:
- cd $(mktemp -d)
- cp ${CI_PROJECT_DIR}/examples/Marc/* .
- python3 -c "import damask;damask.solver.Marc().submit_job('r-value','texture',True,'h')"
- mkdir ${TESTROOT}/src
- mv ${CI_PROJECT_DIR}/src/DAMASK_Marc.marc ${TESTROOT}/src
- mkdir -p ${TESTROOT}/src/Marc
- mv ${CI_PROJECT_DIR}/src/Marc/DAMASK_Marc.marc ${TESTROOT}/src/Marc
###################################################################################################

2
VERSION
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@ -1 +1 @@
3.0.0-alpha6-266-g5776891b7
3.0.0-alpha6-285-g4d131ec7b

2
examples/config/debug.yaml
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@ -1,5 +1,5 @@
phase: [basic, extensive, selective]
CPFEM: [basic, extensive, selective]
materialpoint: [basic, extensive, selective]
# options for selective debugging
element: 1

6
install/MarcMentat/2020/Marc_tools/include_linux64.patch vendored
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@ -56,15 +56,15 @@
+
+# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
+DFORTLOWMP="$FCOMP -c -O0 -qno-offload -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2020 -DDAMASKVERSION=$DAMASKVERSION \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMARC4DAMASK=2020 -DDAMASKVERSION=$DAMASKVERSION \
+ -qopenmp -qopenmp-threadprivate=compat\
+ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
+DFORTRANMP="$FCOMP -c -O1 -qno-offload -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2020 -DDAMASKVERSION=$DAMASKVERSION \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMARC4DAMASK=2020 -DDAMASKVERSION=$DAMASKVERSION \
+ -qopenmp -qopenmp-threadprivate=compat\
+ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
+DFORTHIGHMP="$FCOMP -c -O3 -qno-offload -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2020 -DDAMASKVERSION=$DAMASKVERSION \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMARC4DAMASK=2020 -DDAMASKVERSION=$DAMASKVERSION \
+ -qopenmp -qopenmp-threadprivate=compat\
+ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"

6
install/MarcMentat/2021.2/Marc_tools/include_linux64.patch vendored
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@ -56,15 +56,15 @@
+
+# DAMASK compiler calls
+DFORTLOWMP="$FCOMP -c -O0 -qno-offload -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2020 -DDAMASKVERSION=$DAMASKVERSION \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMARC4DAMASK=2021.2 -DDAMASKVERSION=$DAMASKVERSION \
+ -qopenmp -qopenmp-threadprivate=compat\
+ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD -I$MARC_MOD"
+DFORTRANMP="$FCOMP -c -O1 -qno-offload -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2020 -DDAMASKVERSION=$DAMASKVERSION \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMARC4DAMASK=2021.2 -DDAMASKVERSION=$DAMASKVERSION \
+ -qopenmp -qopenmp-threadprivate=compat\
+ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD -I$MARC_MOD"
+DFORTHIGHMP="$FCOMP -c -O3 -qno-offload -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2020 -DDAMASKVERSION=$DAMASKVERSION \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMARC4DAMASK=2021.2 -DDAMASKVERSION=$DAMASKVERSION \
+ -qopenmp -qopenmp-threadprivate=compat\
+ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD -I$MARC_MOD"

6
install/MarcMentat/2021.3.1/Marc_tools/include_linux64.patch vendored
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@ -55,15 +55,15 @@
+
+# DAMASK compiler calls
+DFORTLOWMP="$FCOMP -c -O0 -qno-offload -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2020 -DDAMASKVERSION=$DAMASKVERSION \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMARC4DAMASK=2021.3.1 -DDAMASKVERSION=$DAMASKVERSION \
+ -qopenmp -qopenmp-threadprivate=compat\
+ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD -I$MARC_MOD"
+DFORTRANMP="$FCOMP -c -O1 -qno-offload -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2020 -DDAMASKVERSION=$DAMASKVERSION \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMARC4DAMASK=2021.3.1 -DDAMASKVERSION=$DAMASKVERSION \
+ -qopenmp -qopenmp-threadprivate=compat\
+ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD -I$MARC_MOD"
+DFORTHIGHMP="$FCOMP -c -O3 -qno-offload -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2020 -DDAMASKVERSION=$DAMASKVERSION \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMARC4DAMASK=2021.3.1 -DDAMASKVERSION=$DAMASKVERSION \
+ -qopenmp -qopenmp-threadprivate=compat\
+ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD -I$MARC_MOD"
+

1
python/README
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@ -1 +0,0 @@
../README

1
python/README.md Symbolic link
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@ -0,0 +1 @@
../README.md

2
python/damask/solver/_marc.py
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@ -64,7 +64,7 @@ class Marc:
Defaults to ''.
"""
usersub = (self.damask_root/'src/DAMASK_Marc').with_suffix('.f90' if compile else '.marc')
usersub = (self.damask_root/'src/Marc/DAMASK_Marc').with_suffix('.f90' if compile else '.marc')
if not usersub.is_file():
raise FileNotFoundError(f'subroutine ({"source" if compile else "binary"}) "{usersub}" not found')

2
python/setup.cfg
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@ -15,7 +15,7 @@ classifiers =
Operating System :: OS Independent
[options]
packages = damask
packages = find:
include_package_data = true
python_requires = >= 3.8
install_requires =

6
src/CMakeLists.txt
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@ -6,12 +6,6 @@ endif()
file(GLOB damask-sources CONFIGURE_DEPENDS *.f90 *.c)
# 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 ".*commercialFEM_fileList.*.f90")
if(PROJECT_NAME STREQUAL "damask-grid")
set(executable-name "DAMASK_grid")
file(GLOB solver-sources CONFIGURE_DEPENDS grid/*.f90)

93
src/DAMASK_Marc.f90 → src/Marc/DAMASK_Marc.f90
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@ -15,7 +15,7 @@
#define MARC4DAMASK Marc4DAMASK
#endif
#include "prec.f90"
#include "../prec.f90"
module DAMASK_interface
use prec
@ -46,7 +46,7 @@ subroutine DAMASK_interface_init
integer :: ierr
character(len=pPathLen) :: wd
print'(/,1x,a)', '<<<+- DAMASK_marc init -+>>>'
print'(/,1x,a)', '<<<+- DAMASK_Marc init -+>>>'
print*, 'Roters et al., Computational Materials Science 158:420–478, 2019'
print*, 'https://doi.org/10.1016/j.commatsci.2018.04.030'
@ -139,8 +139,55 @@ end function solverIsSymmetric
end module DAMASK_interface
#include "commercialFEM_fileList.f90"
#include "../parallelization.f90"
#include "../constants.f90"
#include "../IO.f90"
#include "../YAML_types.f90"
#include "../YAML_parse.f90"
#include "../HDF5_utilities.f90"
#include "../results.f90"
#include "../config.f90"
#include "../LAPACK_interface.f90"
#include "../math.f90"
#include "../rotations.f90"
#include "../polynomials.f90"
#include "../lattice.f90"
#include "../element.f90"
#include "../geometry_plastic_nonlocal.f90"
#include "../discretization.f90"
#include "discretization_Marc.f90"
#include "../material.f90"
#include "../phase.f90"
#include "../phase_mechanical.f90"
#include "../phase_mechanical_elastic.f90"
#include "../phase_mechanical_plastic.f90"
#include "../phase_mechanical_plastic_none.f90"
#include "../phase_mechanical_plastic_isotropic.f90"
#include "../phase_mechanical_plastic_phenopowerlaw.f90"
#include "../phase_mechanical_plastic_kinehardening.f90"
#include "../phase_mechanical_plastic_dislotwin.f90"
#include "../phase_mechanical_plastic_dislotungsten.f90"
#include "../phase_mechanical_plastic_nonlocal.f90"
#include "../phase_mechanical_eigen.f90"
#include "../phase_mechanical_eigen_cleavageopening.f90"
#include "../phase_mechanical_eigen_thermalexpansion.f90"
#include "../phase_thermal.f90"
#include "../phase_thermal_dissipation.f90"
#include "../phase_thermal_externalheat.f90"
#include "../phase_damage.f90"
#include "../phase_damage_isobrittle.f90"
#include "../phase_damage_anisobrittle.f90"
#include "../homogenization.f90"
#include "../homogenization_mechanical.f90"
#include "../homogenization_mechanical_pass.f90"
#include "../homogenization_mechanical_isostrain.f90"
#include "../homogenization_mechanical_RGC.f90"
#include "../homogenization_thermal.f90"
#include "../homogenization_thermal_pass.f90"
#include "../homogenization_thermal_isotemperature.f90"
#include "../homogenization_damage.f90"
#include "../homogenization_damage_pass.f90"
#include "materialpoint_Marc.f90"
!--------------------------------------------------------------------------------------------------
!> @brief This is the MSC.Marc user subroutine for defining material behavior
@ -158,9 +205,9 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
use DAMASK_interface
use config
use YAML_types
use discretization_marc
use discretization_Marc
use homogenization
use CPFEM
use materialpoint_Marc
implicit none
include "omp_lib.h" ! the openMP function library
@ -214,8 +261,8 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
! Marc common blocks are in fixed format so they have to be reformated to free format (f90)
! Beware of changes in newer Marc versions
#include QUOTE(PASTE(./Marc/include/concom,MARC4DAMASK)) ! concom is needed for inc, lovl
#include QUOTE(PASTE(./Marc/include/creeps,MARC4DAMASK)) ! creeps is needed for timinc (time increment)
#include QUOTE(PASTE(include/concom,MARC4DAMASK)) ! concom is needed for inc, lovl
#include QUOTE(PASTE(include/creeps,MARC4DAMASK)) ! creeps is needed for timinc (time increment)
logical :: cutBack
real(pReal), dimension(6) :: stress
@ -232,7 +279,7 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
logical, save :: &
lastIncConverged = .false., & !< needs description
outdatedByNewInc = .false., & !< needs description
CPFEM_init_done = .false., & !< remember whether init has been done already
materialpoint_init_done = .false., & !< remember whether init has been done already
debug_basic = .true.
class(tNode), pointer :: &
debug_Marc ! pointer to Marc debug options
@ -255,9 +302,9 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
defaultNumThreadsInt = omp_get_num_threads() ! remember number of threads set by Marc
call omp_set_num_threads(1_pI32) ! no openMP
if (.not. CPFEM_init_done) then
CPFEM_init_done = .true.
call CPFEM_initAll
if (.not. materialpoint_init_done) then
materialpoint_init_done = .true.
call materialpoint_initAll
debug_Marc => config_debug%get('Marc',defaultVal=emptyList)
debug_basic = debug_Marc%contains('basic')
endif
@ -265,9 +312,9 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
computationMode = 0 ! save initialization value, since it does not result in any calculation
if (lovl == 4 ) then ! jacobian requested by marc
if (timinc < theDelta .and. theInc == inc .and. lastLovl /= lovl) & ! first after cutback
computationMode = CPFEM_RESTOREJACOBIAN
computationMode = materialpoint_RESTOREJACOBIAN
elseif (lovl == 6) then ! stress requested by marc
computationMode = CPFEM_CALCRESULTS
computationMode = materialpoint_CALCRESULTS
if (cptim > theTime .or. inc /= theInc) then ! reached "convergence"
terminallyIll = .false.
cycleCounter = -1 ! first calc step increments this to cycle = 0
@ -300,11 +347,11 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
!call mesh_build_ipCoordinates() ! update ip coordinates
endif
if (outdatedByNewInc) then
computationMode = ior(computationMode,CPFEM_AGERESULTS)
computationMode = ior(computationMode,materialpoint_AGERESULTS)
outdatedByNewInc = .false.
endif
if (lastIncConverged) then
computationMode = ior(computationMode,CPFEM_BACKUPJACOBIAN)
computationMode = ior(computationMode,materialpoint_BACKUPJACOBIAN)
lastIncConverged = .false.
endif
@ -315,7 +362,7 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
endif
lastLovl = lovl
call CPFEM_general(computationMode,ffn,ffn1,t(1),timinc,m(1),nn,stress,ddsdde)
call materialpoint_general(computationMode,ffn,ffn1,t(1),timinc,m(1),nn,stress,ddsdde)
d = ddsdde(1:ngens,1:ngens)
s = stress(1:ndi+nshear)
@ -333,7 +380,7 @@ end subroutine hypela2
subroutine flux(f,ts,n,time)
use prec
use homogenization
use discretization_marc
use discretization_Marc
implicit none
real(pReal), dimension(6), intent(in) :: &
@ -359,15 +406,15 @@ subroutine flux(f,ts,n,time)
!--------------------------------------------------------------------------------------------------
subroutine uedinc(inc,incsub)
use prec
use CPFEM
use discretization_marc
use materialpoint_Marc
use discretization_Marc
implicit none
integer, intent(in) :: inc, incsub
integer :: n, nqncomp, nqdatatype
integer, save :: inc_written
real(pReal), allocatable, dimension(:,:) :: d_n
#include QUOTE(PASTE(./Marc/include/creeps,MARC4DAMASK)) ! creeps is needed for timinc (time increment)
#include QUOTE(PASTE(include/creeps,MARC4DAMASK)) ! creeps is needed for timinc (time increment)
if (inc > inc_written) then
@ -379,8 +426,8 @@ subroutine uedinc(inc,incsub)
endif
enddo
call discretization_marc_UpdateNodeAndIpCoords(d_n)
call CPFEM_results(inc,cptim)
call discretization_Marc_UpdateNodeAndIpCoords(d_n)
call materialpoint_results(inc,cptim)
inc_written = inc
endif

5
src/Marc/discretization_Marc.f90
View File

@ -136,7 +136,7 @@ end subroutine discretization_Marc_updateNodeAndIpCoords
!--------------------------------------------------------------------------------------------------
!> @brief Calculate and set current nodal and IP positions (including cell nodes)
!--------------------------------------------------------------------------------------------------
function discretization_marc_FEM2DAMASK_cell(IP_FEM,elem_FEM) result(cell)
function discretization_Marc_FEM2DAMASK_cell(IP_FEM,elem_FEM) result(cell)
integer, intent(in) :: IP_FEM, elem_FEM
integer :: cell
@ -147,7 +147,7 @@ function discretization_marc_FEM2DAMASK_cell(IP_FEM,elem_FEM) result(cell)
cell = (discretization_Marc_FEM2DAMASK_elem(elem_FEM)-1)*discretization_nIPs + IP_FEM
end function discretization_marc_FEM2DAMASK_cell
end function discretization_Marc_FEM2DAMASK_cell
!--------------------------------------------------------------------------------------------------
@ -1212,5 +1212,4 @@ logical function containsRange(str,chunkPos)
end function containsRange
end module discretization_Marc

132
src/CPFEM.f90 → src/Marc/materialpoint_Marc.f90
View File

@ -1,9 +1,9 @@
!--------------------------------------------------------------------------------------------------
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief CPFEM engine
!> @brief materialpoint engine
!--------------------------------------------------------------------------------------------------
module CPFEM
module materialpoint_Marc
use DAMASK_interface
use prec
use IO
@ -21,30 +21,30 @@ module CPFEM
use homogenization
use discretization
use discretization_marc
use discretization_Marc
implicit none
private
real(pReal), dimension (:,:,:), allocatable, private :: &
CPFEM_cs !< Cauchy stress
materialpoint_cs !< Cauchy stress
real(pReal), dimension (:,:,:,:), allocatable, private :: &
CPFEM_dcsdE !< Cauchy stress tangent
materialpoint_dcsdE !< Cauchy stress tangent
real(pReal), dimension (:,:,:,:), allocatable, private :: &
CPFEM_dcsdE_knownGood !< known good tangent
materialpoint_dcsdE_knownGood !< known good tangent
integer, public :: &
cycleCounter = 0 !< needs description
integer, parameter, public :: &
CPFEM_CALCRESULTS = 2**0, &
CPFEM_AGERESULTS = 2**1, &
CPFEM_BACKUPJACOBIAN = 2**2, &
CPFEM_RESTOREJACOBIAN = 2**3
materialpoint_CALCRESULTS = 2**0, &
materialpoint_AGERESULTS = 2**1, &
materialpoint_BACKUPJACOBIAN = 2**2, &
materialpoint_RESTOREJACOBIAN = 2**3
type, private :: tNumerics
integer :: &
iJacoStiffness !< frequency of stiffness update
iJacoStiffness !< frequency of stiffness update
end type tNumerics
type(tNumerics), private :: num
@ -59,12 +59,12 @@ module CPFEM
ip
end type tDebugOptions
type(tDebugOptions), private :: debugCPFEM
type(tDebugOptions), private :: debugmaterialpoint
public :: &
CPFEM_general, &
CPFEM_initAll, &
CPFEM_results
materialpoint_general, &
materialpoint_initAll, &
materialpoint_results
contains
@ -72,7 +72,7 @@ contains
!--------------------------------------------------------------------------------------------------
!> @brief Initialize all modules.
!--------------------------------------------------------------------------------------------------
subroutine CPFEM_initAll
subroutine materialpoint_initAll
call DAMASK_interface_init
call prec_init
@ -86,54 +86,54 @@ subroutine CPFEM_initAll
call rotations_init
call polynomials_init
call lattice_init
call discretization_marc_init
call discretization_Marc_init
call material_init(.false.)
call phase_init
call homogenization_init
call CPFEM_init
call materialpoint_init
call config_deallocate
end subroutine CPFEM_initAll
end subroutine materialpoint_initAll
!--------------------------------------------------------------------------------------------------
!> @brief allocate the arrays defined in module CPFEM and initialize them
!> @brief allocate the arrays defined in module materialpoint and initialize them
!--------------------------------------------------------------------------------------------------
subroutine CPFEM_init
subroutine materialpoint_init
class(tNode), pointer :: &
debug_CPFEM
debug_materialpoint
print'(/,1x,a)', '<<<+- CPFEM init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- materialpoint init -+>>>'; flush(IO_STDOUT)
allocate(CPFEM_cs( 6,discretization_nIPs,discretization_Nelems), source= 0.0_pReal)
allocate(CPFEM_dcsdE( 6,6,discretization_nIPs,discretization_Nelems), source= 0.0_pReal)
allocate(CPFEM_dcsdE_knownGood(6,6,discretization_nIPs,discretization_Nelems), source= 0.0_pReal)
allocate(materialpoint_cs( 6,discretization_nIPs,discretization_Nelems), source= 0.0_pReal)
allocate(materialpoint_dcsdE( 6,6,discretization_nIPs,discretization_Nelems), source= 0.0_pReal)
allocate(materialpoint_dcsdE_knownGood(6,6,discretization_nIPs,discretization_Nelems), source= 0.0_pReal)
!------------------------------------------------------------------------------
! read debug options
debug_CPFEM => config_debug%get('CPFEM',defaultVal=emptyList)
debugCPFEM%basic = debug_CPFEM%contains('basic')
debugCPFEM%extensive = debug_CPFEM%contains('extensive')
debugCPFEM%selective = debug_CPFEM%contains('selective')
debugCPFEM%element = config_debug%get_asInt('element',defaultVal = 1)
debugCPFEM%ip = config_debug%get_asInt('integrationpoint',defaultVal = 1)
debug_materialpoint => config_debug%get('materialpoint',defaultVal=emptyList)
debugmaterialpoint%basic = debug_materialpoint%contains('basic')
debugmaterialpoint%extensive = debug_materialpoint%contains('extensive')
debugmaterialpoint%selective = debug_materialpoint%contains('selective')
debugmaterialpoint%element = config_debug%get_asInt('element',defaultVal = 1)
debugmaterialpoint%ip = config_debug%get_asInt('integrationpoint',defaultVal = 1)
if(debugCPFEM%basic) then
print'(a32,1x,6(i8,1x))', 'CPFEM_cs: ', shape(CPFEM_cs)
print'(a32,1x,6(i8,1x))', 'CPFEM_dcsdE: ', shape(CPFEM_dcsdE)
print'(a32,1x,6(i8,1x),/)', 'CPFEM_dcsdE_knownGood: ', shape(CPFEM_dcsdE_knownGood)
if(debugmaterialpoint%basic) then
print'(a32,1x,6(i8,1x))', 'materialpoint_cs: ', shape(materialpoint_cs)
print'(a32,1x,6(i8,1x))', 'materialpoint_dcsdE: ', shape(materialpoint_dcsdE)
print'(a32,1x,6(i8,1x),/)', 'materialpoint_dcsdE_knownGood: ', shape(materialpoint_dcsdE_knownGood)
flush(IO_STDOUT)
endif
end subroutine CPFEM_init
end subroutine materialpoint_init
!--------------------------------------------------------------------------------------------------
!> @brief perform initialization at first call, update variables and call the actual material model
!> @brief Update variables and call the material model.
!--------------------------------------------------------------------------------------------------
subroutine CPFEM_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyStress, jacobian)
subroutine materialpoint_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyStress, jacobian)
integer, intent(in) :: elFE, & !< FE element number
ip !< integration point number
@ -161,7 +161,7 @@ subroutine CPFEM_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyS
elCP = discretization_Marc_FEM2DAMASK_elem(elFE)
ce = discretization_Marc_FEM2DAMASK_cell(ip,elFE)
if (debugCPFEM%basic .and. elCP == debugCPFEM%element .and. ip == debugCPFEM%ip) then
if (debugmaterialpoint%basic .and. elCP == debugmaterialpoint%element .and. ip == debugmaterialpoint%ip) then
print'(/,a)', '#############################################'
print'(a1,a22,1x,i8,a13)', '#','element', elCP, '#'
print'(a1,a22,1x,i8,a13)', '#','ip', ip, '#'
@ -172,26 +172,26 @@ subroutine CPFEM_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyS
print'(a,/)', '#############################################'; flush (6)
endif
if (iand(mode, CPFEM_BACKUPJACOBIAN) /= 0) &
CPFEM_dcsde_knownGood = CPFEM_dcsde
if (iand(mode, CPFEM_RESTOREJACOBIAN) /= 0) &
CPFEM_dcsde = CPFEM_dcsde_knownGood
if (iand(mode, materialpoint_BACKUPJACOBIAN) /= 0) &
materialpoint_dcsde_knownGood = materialpoint_dcsde
if (iand(mode, materialpoint_RESTOREJACOBIAN) /= 0) &
materialpoint_dcsde = materialpoint_dcsde_knownGood
if (iand(mode, CPFEM_AGERESULTS) /= 0) call CPFEM_forward
if (iand(mode, materialpoint_AGERESULTS) /= 0) call materialpoint_forward
homogenization_F0(1:3,1:3,ce) = ffn
homogenization_F(1:3,1:3,ce) = ffn1
if (iand(mode, CPFEM_CALCRESULTS) /= 0) then
if (iand(mode, materialpoint_CALCRESULTS) /= 0) then
validCalculation: if (terminallyIll) then
call random_number(rnd)
if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
CPFEM_cs(1:6,ip,elCP) = ODD_STRESS * rnd
CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_eye(6)
materialpoint_cs(1:6,ip,elCP) = ODD_STRESS * rnd
materialpoint_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_eye(6)
else validCalculation
if (debugCPFEM%extensive) print'(a,i8,1x,i2)', '<< CPFEM >> calculation for elFE ip ',elFE,ip
if (debugmaterialpoint%extensive) print'(a,i8,1x,i2)', '<< materialpoint >> calculation for elFE ip ',elFE,ip
call homogenization_mechanical_response(dt,(elCP-1)*discretization_nIPs + ip,(elCP-1)*discretization_nIPs + ip)
if (.not. terminallyIll) &
call homogenization_mechanical_response2(dt,[ip,ip],[elCP,elCP])
@ -200,15 +200,15 @@ subroutine CPFEM_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyS
call random_number(rnd)
if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
CPFEM_cs(1:6,ip,elCP) = ODD_STRESS * rnd
CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_eye(6)
materialpoint_cs(1:6,ip,elCP) = ODD_STRESS * rnd
materialpoint_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_eye(6)
else terminalIllness
! translate from P to sigma
Kirchhoff = matmul(homogenization_P(1:3,1:3,ce), transpose(homogenization_F(1:3,1:3,ce)))
J_inverse = 1.0_pReal / math_det33(homogenization_F(1:3,1:3,ce))
CPFEM_cs(1:6,ip,elCP) = math_sym33to6(J_inverse * Kirchhoff,weighted=.false.)
materialpoint_cs(1:6,ip,elCP) = math_sym33to6(J_inverse * Kirchhoff,weighted=.false.)
! translate from dP/dF to dCS/dE
H = 0.0_pReal
@ -224,45 +224,45 @@ subroutine CPFEM_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyS
forall(i=1:3, j=1:3,k=1:3,l=1:3) &
H_sym(i,j,k,l) = 0.25_pReal * (H(i,j,k,l) + H(j,i,k,l) + H(i,j,l,k) + H(j,i,l,k))
CPFEM_dcsde(1:6,1:6,ip,elCP) = math_sym3333to66(J_inverse * H_sym,weighted=.false.)
materialpoint_dcsde(1:6,1:6,ip,elCP) = math_sym3333to66(J_inverse * H_sym,weighted=.false.)
endif terminalIllness
endif validCalculation
if (debugCPFEM%extensive &
.and. ((debugCPFEM%element == elCP .and. debugCPFEM%ip == ip) .or. .not. debugCPFEM%selective)) then
if (debugmaterialpoint%extensive &
.and. ((debugmaterialpoint%element == elCP .and. debugmaterialpoint%ip == ip) .or. .not. debugmaterialpoint%selective)) then
print'(a,i8,1x,i2,/,12x,6(f10.3,1x)/)', &
'<< CPFEM >> stress/MPa at elFE ip ', elFE, ip, CPFEM_cs(1:6,ip,elCP)*1.0e-6_pReal
'<< materialpoint >> stress/MPa at elFE ip ', elFE, ip, materialpoint_cs(1:6,ip,elCP)*1.0e-6_pReal
print'(a,i8,1x,i2,/,6(12x,6(f10.3,1x)/))', &
'<< CPFEM >> Jacobian/GPa at elFE ip ', elFE, ip, transpose(CPFEM_dcsdE(1:6,1:6,ip,elCP))*1.0e-9_pReal
'<< materialpoint >> Jacobian/GPa at elFE ip ', elFE, ip, transpose(materialpoint_dcsdE(1:6,1:6,ip,elCP))*1.0e-9_pReal
flush(IO_STDOUT)
endif
endif
if (all(abs(CPFEM_dcsdE(1:6,1:6,ip,elCP)) < 1e-10_pReal)) call IO_warning(601,elCP,ip)
if (all(abs(materialpoint_dcsdE(1:6,1:6,ip,elCP)) < 1e-10_pReal)) call IO_warning(601,elCP,ip)
cauchyStress = CPFEM_cs (1:6, ip,elCP)
jacobian = CPFEM_dcsdE(1:6,1:6,ip,elCP)
cauchyStress = materialpoint_cs (1:6, ip,elCP)
jacobian = materialpoint_dcsdE(1:6,1:6,ip,elCP)
end subroutine CPFEM_general
end subroutine materialpoint_general
!--------------------------------------------------------------------------------------------------
!> @brief Forward data for new time increment.
!--------------------------------------------------------------------------------------------------
subroutine CPFEM_forward
subroutine materialpoint_forward
call homogenization_forward
call phase_forward
end subroutine CPFEM_forward
end subroutine materialpoint_forward
!--------------------------------------------------------------------------------------------------
!> @brief Trigger writing of results.
!--------------------------------------------------------------------------------------------------
subroutine CPFEM_results(inc,time)
subroutine materialpoint_results(inc,time)
integer, intent(in) :: inc
real(pReal), intent(in) :: time
@ -275,6 +275,6 @@ subroutine CPFEM_results(inc,time)
call results_finalizeIncrement
call results_closeJobFile
end subroutine CPFEM_results
end subroutine materialpoint_results
end module CPFEM
end module materialpoint_Marc

54
src/commercialFEM_fileList.f90
View File

@ -1,54 +0,0 @@
!--------------------------------------------------------------------------------------------------
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief all DAMASK files without solver
!> @details List of files needed by MSC.Marc
!--------------------------------------------------------------------------------------------------
#include "parallelization.f90"
#include "constants.f90"
#include "IO.f90"
#include "YAML_types.f90"
#include "YAML_parse.f90"
#include "HDF5_utilities.f90"
#include "results.f90"
#include "config.f90"
#include "LAPACK_interface.f90"
#include "math.f90"
#include "rotations.f90"
#include "polynomials.f90"
#include "lattice.f90"
#include "element.f90"
#include "geometry_plastic_nonlocal.f90"
#include "discretization.f90"
#include "Marc/discretization_Marc.f90"
#include "material.f90"
#include "phase.f90"
#include "phase_mechanical.f90"
#include "phase_mechanical_elastic.f90"
#include "phase_mechanical_plastic.f90"
#include "phase_mechanical_plastic_none.f90"
#include "phase_mechanical_plastic_isotropic.f90"
#include "phase_mechanical_plastic_phenopowerlaw.f90"
#include "phase_mechanical_plastic_kinehardening.f90"
#include "phase_mechanical_plastic_dislotwin.f90"
#include "phase_mechanical_plastic_dislotungsten.f90"
#include "phase_mechanical_plastic_nonlocal.f90"
#include "phase_mechanical_eigen.f90"
#include "phase_mechanical_eigen_cleavageopening.f90"
#include "phase_mechanical_eigen_thermalexpansion.f90"
#include "phase_thermal.f90"
#include "phase_thermal_dissipation.f90"
#include "phase_thermal_externalheat.f90"
#include "phase_damage.f90"
#include "phase_damage_isobrittle.f90"
#include "phase_damage_anisobrittle.f90"
#include "homogenization.f90"
#include "homogenization_mechanical.f90"
#include "homogenization_mechanical_pass.f90"
#include "homogenization_mechanical_isostrain.f90"
#include "homogenization_mechanical_RGC.f90"
#include "homogenization_thermal.f90"
#include "homogenization_thermal_pass.f90"
#include "homogenization_thermal_isotemperature.f90"
#include "homogenization_damage.f90"
#include "homogenization_damage_pass.f90"
#include "CPFEM.f90"

12
src/grid/DAMASK_grid.f90
View File

@ -20,7 +20,7 @@ program DAMASK_grid
use IO
use config
use math
use CPFEM2
use materialpoint
use material
use spectral_utilities
use grid_mechanical_spectral_basic
@ -117,7 +117,7 @@ program DAMASK_grid
!--------------------------------------------------------------------------------------------------
! init DAMASK (all modules)
call CPFEM_initAll
call materialpoint_initAll()
print'(/,1x,a)', '<<<+- DAMASK_grid init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', 'P. Shanthraj et al., Handbook of Mechanics of Materials, 2019'
@ -327,7 +327,7 @@ program DAMASK_grid
writeUndeformed: if (CLI_restartInc < 1) then
print'(/,1x,a)', '... writing initial configuration to file .................................'
flush(IO_STDOUT)
call CPFEM_results(0,0.0_pReal)
call materialpoint_results(0,0.0_pReal)
endif writeUndeformed
loadCaseLooping: do l = 1, size(loadCases)
@ -387,7 +387,7 @@ program DAMASK_grid
case(FIELD_DAMAGE_ID); call grid_damage_spectral_forward(cutBack)
end select
enddo
if (.not. cutBack) call CPFEM_forward
if (.not. cutBack) call materialpoint_forward
!--------------------------------------------------------------------------------------------------
! solve fields
@ -454,7 +454,7 @@ program DAMASK_grid
if (mod(inc,loadCases(l)%f_out) == 0 .or. signal) then
print'(/,1x,a)', '... writing results to file ...............................................'
flush(IO_STDOUT)
call CPFEM_results(totalIncsCounter,t)
call materialpoint_results(totalIncsCounter,t)
endif
if (signal) call signals_setSIGUSR1(.false.)
call MPI_Allreduce(signals_SIGUSR2,signal,1_MPI_INTEGER_KIND,MPI_LOGICAL,MPI_LOR,MPI_COMM_WORLD,err_MPI)
@ -468,7 +468,7 @@ program DAMASK_grid
call grid_thermal_spectral_restartWrite
end select
end do
call CPFEM_restartWrite
call materialpoint_restartWrite
endif
if (signal) call signals_setSIGUSR2(.false.)
call MPI_Allreduce(signals_SIGTERM,signal,1_MPI_INTEGER_KIND,MPI_LOGICAL,MPI_LOR,MPI_COMM_WORLD,err_MPI)

0
src/VTI.f90 → src/grid/VTI.f90
View File

0
src/base64.f90 → src/grid/base64.f90
View File

0
src/zlib.f90 → src/grid/zlib.f90
View File

28
src/CPFEM2.f90 → src/materialpoint.f90
View File

@ -3,7 +3,7 @@
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief needs a good name and description
!--------------------------------------------------------------------------------------------------
module CPFEM2
module materialpoint
use parallelization
use signals
use CLI
@ -40,7 +40,7 @@ contains
!--------------------------------------------------------------------------------------------------
!> @brief Initialize all modules.
!--------------------------------------------------------------------------------------------------
subroutine CPFEM_initAll
subroutine materialpoint_initAll
call parallelization_init
call CLI_init ! Spectral and FEM interface to commandline
@ -69,21 +69,21 @@ subroutine CPFEM_initAll
call material_init(restart=CLI_restartInc>0)
call phase_init
call homogenization_init
call CPFEM_init
call materialpoint_init
call config_deallocate
end subroutine CPFEM_initAll
end subroutine materialpoint_initAll
!--------------------------------------------------------------------------------------------------
!> @brief Read restart information if needed.
!--------------------------------------------------------------------------------------------------
subroutine CPFEM_init
subroutine materialpoint_init
integer(HID_T) :: fileHandle
print'(/,1x,a)', '<<<+- CPFEM init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- materialpoint init -+>>>'; flush(IO_STDOUT)
if (CLI_restartInc > 0) then
@ -97,13 +97,13 @@ subroutine CPFEM_init
call HDF5_closeFile(fileHandle)
endif
end subroutine CPFEM_init
end subroutine materialpoint_init
!--------------------------------------------------------------------------------------------------
!> @brief Write restart information.
!--------------------------------------------------------------------------------------------------
subroutine CPFEM_restartWrite
subroutine materialpoint_restartWrite
integer(HID_T) :: fileHandle
@ -117,24 +117,24 @@ subroutine CPFEM_restartWrite
call HDF5_closeFile(fileHandle)
end subroutine CPFEM_restartWrite
end subroutine materialpoint_restartWrite
!--------------------------------------------------------------------------------------------------
!> @brief Forward data for new time increment.
!--------------------------------------------------------------------------------------------------
subroutine CPFEM_forward
subroutine materialpoint_forward
call homogenization_forward
call phase_forward
end subroutine CPFEM_forward
end subroutine materialpoint_forward
!--------------------------------------------------------------------------------------------------
!> @brief Trigger writing of results.
!--------------------------------------------------------------------------------------------------
subroutine CPFEM_results(inc,time)
subroutine materialpoint_results(inc,time)
integer, intent(in) :: inc
real(pReal), intent(in) :: time
@ -147,6 +147,6 @@ subroutine CPFEM_results(inc,time)
call results_finalizeIncrement
call results_closeJobFile
end subroutine CPFEM_results
end subroutine materialpoint_results
end module CPFEM2
end module materialpoint

8
src/mesh/DAMASK_mesh.f90
View File

@ -14,7 +14,7 @@ program DAMASK_mesh
use parallelization
use IO
use math
use CPFEM2
use materialpoint
use config
use discretization_mesh
use FEM_Utilities
@ -85,7 +85,7 @@ program DAMASK_mesh
!--------------------------------------------------------------------------------------------------
! init DAMASK (all modules)
call CPFEM_initAll
call materialpoint_initAll()
print'(/,1x,a)', '<<<+- DAMASK_mesh init -+>>>'; flush(IO_STDOUT)
!---------------------------------------------------------------------
@ -239,7 +239,7 @@ program DAMASK_mesh
print'(/,1x,a)', '... writing initial configuration to file .................................'
flush(IO_STDOUT)
call CPFEM_results(0,0.0_pReal)
call materialpoint_results(0,0.0_pReal)
loadCaseLooping: do currentLoadCase = 1, size(loadCases)
time0 = time ! load case start time
@ -325,7 +325,7 @@ program DAMASK_mesh
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0) then ! at output frequency
print'(/,1x,a)', '... writing results to file ...............................................'
call FEM_mechanical_updateCoords
call CPFEM_results(totalIncsCounter,time)
call materialpoint_results(totalIncsCounter,time)
end if