Merge remote-tracking branch 'origin/development' into from_fiber-improvements
This commit is contained in:
Martin Diehl
commit
d7e7750400
|
|
@ -2,7 +2,7 @@ name: Grid and Mesh Solver
|
|||
on: [push]
|
||||
|
||||
env:
|
||||
PETSC_VERSION: '3.17.0'
|
||||
PETSC_VERSION: '3.17.1'
|
||||
HOMEBREW_NO_ANALYTICS: 'ON' # Make Homebrew installation a little quicker
|
||||
HOMEBREW_NO_AUTO_UPDATE: 'ON'
|
||||
HOMEBREW_NO_BOTTLE_SOURCE_FALLBACK: 'ON'
|
||||
|
|
|
|||
|
|
@ -32,6 +32,13 @@ jobs:
|
|||
export VERSION=$(cat VERSION)
|
||||
echo ${VERSION%-*} > VERSION
|
||||
|
||||
- name: Strip git hash (Windows)
|
||||
if: runner.os == 'Windows'
|
||||
run: |
|
||||
$VERSION = Get-Content VERSION -first 1
|
||||
$VERSION,$_ = $VERSION -Split '-g',2,"simplematch"
|
||||
$VERSION | Out-File VERSION
|
||||
|
||||
- name: Install and run unit tests (Unix)
|
||||
if: runner.os != 'Windows'
|
||||
run: |
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
||||
|
||||
###################################################################################################
|
||||
|
|
|
|||
|
|
@ -41,7 +41,7 @@ message("\nBuilding ${CMAKE_PROJECT_NAME} ${DAMASK_VERSION}\n")
|
|||
add_definitions(-DPETSC)
|
||||
add_definitions(-DDAMASKVERSION="${DAMASK_VERSION}")
|
||||
add_definitions(-DCMAKE_SYSTEM="${CMAKE_SYSTEM}")
|
||||
if(PETSC_VERSION VERSION_GREATER_EQUAL 3.17.0)
|
||||
if(PETSC_VERSION VERSION_EQUAL 3.17.0)
|
||||
add_definitions("-DCHKERRQ=PetscCall")
|
||||
endif()
|
||||
|
||||
|
|
|
|||
|
|
@ -1,5 +1,5 @@
|
|||
phase: [basic, extensive, selective]
|
||||
CPFEM: [basic, extensive, selective]
|
||||
materialpoint: [basic, extensive, selective]
|
||||
|
||||
# options for selective debugging
|
||||
element: 1
|
||||
|
|
|
|||
|
|
@ -56,15 +56,15 @@
|
|||
+
|
||||
+# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
|
||||
+DFORTLOWMP="$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"
|
||||
|
||||
|
|
|
|||
|
|
@ -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$MARC_MOD"
|
||||
|
||||
|
|
|
|||
|
|
@ -55,15 +55,15 @@
|
|||
+
|
||||
+# DAMASK compiler calls
|
||||
+DFORTLOWMP="$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 +0,0 @@
|
|||
../README
|
||||
|
|
@ -0,0 +1 @@
|
|||
../README.md
|
||||
|
|
@ -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')
|
||||
|
||||
|
|
|
|||
|
|
@ -15,7 +15,7 @@ classifiers =
|
|||
Operating System :: OS Independent
|
||||
|
||||
[options]
|
||||
packages = damask
|
||||
packages = find:
|
||||
include_package_data = true
|
||||
python_requires = >= 3.8
|
||||
install_requires =
|
||||
|
|
|
|||
|
|
@ -6,12 +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)
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
@ -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
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
@ -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"
|
||||
|
|
@ -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)
|
||||
|
|
|
|||
|
|
@ -1966,8 +1966,8 @@ end function buildCoordinateSystem
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Helper function to define transformation systems
|
||||
! Needed to calculate Schmid matrix and rotated stiffness matrices.
|
||||
! @details: use c/a for cF -> cI transformation
|
||||
! use a_cX for cF -> hP transformation
|
||||
! @details: use c/a for cF -> hP transformation
|
||||
! use a_cX for cF -> cI transformation
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_cF,a_cI)
|
||||
|
||||
|
|
|
|||
|
|
@ -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
|
||||
45
src/math.f90
45
src/math.f90
|
|
@ -127,8 +127,10 @@ pure recursive subroutine math_sort(a, istart, iend, sortDim)
|
|||
|
||||
integer, dimension(:,:), intent(inout) :: a
|
||||
integer, intent(in),optional :: istart,iend, sortDim
|
||||
|
||||
integer :: ipivot,s,e,d
|
||||
|
||||
|
||||
if (present(istart)) then
|
||||
s = istart
|
||||
else
|
||||
|
|
@ -164,9 +166,11 @@ pure recursive subroutine math_sort(a, istart, iend, sortDim)
|
|||
integer, dimension(:,:), intent(inout) :: a
|
||||
integer, intent(out) :: p ! Pivot element
|
||||
integer, intent(in) :: istart,iend,sort
|
||||
integer, dimension(size(a,1)) :: tmp
|
||||
|
||||
integer, dimension(size(a,1)) :: tmp
|
||||
integer :: i,j
|
||||
|
||||
|
||||
do
|
||||
! find the first element on the right side less than or equal to the pivot point
|
||||
do j = iend, istart, -1
|
||||
|
|
@ -204,8 +208,10 @@ pure function math_expand(what,how)
|
|||
real(pReal), dimension(:), intent(in) :: what
|
||||
integer, dimension(:), intent(in) :: how
|
||||
real(pReal), dimension(sum(how)) :: math_expand
|
||||
|
||||
integer :: i
|
||||
|
||||
|
||||
if (sum(how) == 0) return
|
||||
|
||||
do i = 1, size(how)
|
||||
|
|
@ -221,9 +227,11 @@ end function math_expand
|
|||
pure function math_range(N)
|
||||
|
||||
integer, intent(in) :: N !< length of range
|
||||
integer :: i
|
||||
integer, dimension(N) :: math_range
|
||||
|
||||
integer :: i
|
||||
|
||||
|
||||
math_range = [(i,i=1,N)]
|
||||
|
||||
end function math_range
|
||||
|
|
@ -235,9 +243,11 @@ end function math_range
|
|||
pure function math_eye(d)
|
||||
|
||||
integer, intent(in) :: d !< tensor dimension
|
||||
integer :: i
|
||||
real(pReal), dimension(d,d) :: math_eye
|
||||
|
||||
integer :: i
|
||||
|
||||
|
||||
math_eye = 0.0_pReal
|
||||
do i=1,d
|
||||
math_eye(i,i) = 1.0_pReal
|
||||
|
|
@ -302,6 +312,7 @@ real(pReal) pure function math_delta(i,j)
|
|||
|
||||
integer, intent (in) :: i,j
|
||||
|
||||
|
||||
math_delta = merge(0.0_pReal, 1.0_pReal, i /= j)
|
||||
|
||||
end function math_delta
|
||||
|
|
@ -315,6 +326,7 @@ pure function math_cross(A,B)
|
|||
real(pReal), dimension(3), intent(in) :: A,B
|
||||
real(pReal), dimension(3) :: math_cross
|
||||
|
||||
|
||||
math_cross = [ A(2)*B(3) -A(3)*B(2), &
|
||||
A(3)*B(1) -A(1)*B(3), &
|
||||
A(1)*B(2) -A(2)*B(1) ]
|
||||
|
|
@ -329,6 +341,7 @@ pure function math_outer(A,B)
|
|||
|
||||
real(pReal), dimension(:), intent(in) :: A,B
|
||||
real(pReal), dimension(size(A,1),size(B,1)) :: math_outer
|
||||
|
||||
integer :: i,j
|
||||
|
||||
|
||||
|
|
@ -351,6 +364,7 @@ real(pReal) pure function math_inner(A,B)
|
|||
real(pReal), dimension(:), intent(in) :: A
|
||||
real(pReal), dimension(size(A,1)), intent(in) :: B
|
||||
|
||||
|
||||
math_inner = sum(A*B)
|
||||
|
||||
end function math_inner
|
||||
|
|
@ -363,6 +377,7 @@ real(pReal) pure function math_tensordot(A,B)
|
|||
|
||||
real(pReal), dimension(3,3), intent(in) :: A,B
|
||||
|
||||
|
||||
math_tensordot = sum(A*B)
|
||||
|
||||
end function math_tensordot
|
||||
|
|
@ -376,6 +391,7 @@ pure function math_mul3333xx33(A,B)
|
|||
real(pReal), dimension(3,3,3,3), intent(in) :: A
|
||||
real(pReal), dimension(3,3), intent(in) :: B
|
||||
real(pReal), dimension(3,3) :: math_mul3333xx33
|
||||
|
||||
integer :: i,j
|
||||
|
||||
|
||||
|
|
@ -395,11 +411,12 @@ end function math_mul3333xx33
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_mul3333xx3333(A,B)
|
||||
|
||||
integer :: i,j,k,l
|
||||
real(pReal), dimension(3,3,3,3), intent(in) :: A
|
||||
real(pReal), dimension(3,3,3,3), intent(in) :: B
|
||||
real(pReal), dimension(3,3,3,3) :: math_mul3333xx3333
|
||||
|
||||
integer :: i,j,k,l
|
||||
|
||||
|
||||
#ifndef __INTEL_COMPILER
|
||||
do concurrent(i=1:3, j=1:3, k=1:3, l=1:3)
|
||||
|
|
@ -424,6 +441,7 @@ pure function math_exp33(A,n)
|
|||
real(pReal) :: invFac
|
||||
integer :: n_,i
|
||||
|
||||
|
||||
if (present(n)) then
|
||||
n_ = n
|
||||
else
|
||||
|
|
@ -456,6 +474,7 @@ pure function math_inv33(A)
|
|||
real(pReal) :: DetA
|
||||
logical :: error
|
||||
|
||||
|
||||
call math_invert33(math_inv33,DetA,error,A)
|
||||
if (error) math_inv33 = 0.0_pReal
|
||||
|
||||
|
|
@ -474,6 +493,7 @@ pure subroutine math_invert33(InvA, DetA, error, A)
|
|||
logical, intent(out) :: error
|
||||
real(pReal), dimension(3,3), intent(in) :: A
|
||||
|
||||
|
||||
InvA(1,1) = A(2,2) * A(3,3) - A(2,3) * A(3,2)
|
||||
InvA(2,1) = -A(2,1) * A(3,3) + A(2,3) * A(3,1)
|
||||
InvA(3,1) = A(2,1) * A(3,2) - A(2,2) * A(3,1)
|
||||
|
|
@ -504,7 +524,7 @@ end subroutine math_invert33
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_invSym3333(A)
|
||||
|
||||
real(pReal),dimension(3,3,3,3) :: math_invSym3333
|
||||
real(pReal),dimension(3,3,3,3) :: math_invSym3333
|
||||
|
||||
real(pReal),dimension(3,3,3,3),intent(in) :: A
|
||||
|
||||
|
|
@ -513,6 +533,7 @@ pure function math_invSym3333(A)
|
|||
real(pReal), dimension(6*6) :: work
|
||||
integer :: ierr_i, ierr_f
|
||||
|
||||
|
||||
temp66 = math_sym3333to66(A)
|
||||
call dgetrf(6,6,temp66,6,ipiv6,ierr_i)
|
||||
call dgetri(6,temp66,6,ipiv6,work,size(work,1),ierr_f)
|
||||
|
|
@ -538,6 +559,7 @@ pure subroutine math_invert(InvA, error, A)
|
|||
real(pReal), dimension(size(A,1)**2) :: work
|
||||
integer :: ierr
|
||||
|
||||
|
||||
invA = A
|
||||
call dgetrf(size(A,1),size(A,1),invA,size(A,1),ipiv,ierr)
|
||||
error = (ierr /= 0)
|
||||
|
|
@ -555,6 +577,7 @@ pure function math_symmetric33(m)
|
|||
real(pReal), dimension(3,3) :: math_symmetric33
|
||||
real(pReal), dimension(3,3), intent(in) :: m
|
||||
|
||||
|
||||
math_symmetric33 = 0.5_pReal * (m + transpose(m))
|
||||
|
||||
end function math_symmetric33
|
||||
|
|
@ -568,6 +591,7 @@ pure function math_skew33(m)
|
|||
real(pReal), dimension(3,3) :: math_skew33
|
||||
real(pReal), dimension(3,3), intent(in) :: m
|
||||
|
||||
|
||||
math_skew33 = m - math_symmetric33(m)
|
||||
|
||||
end function math_skew33
|
||||
|
|
@ -581,6 +605,7 @@ pure function math_spherical33(m)
|
|||
real(pReal), dimension(3,3) :: math_spherical33
|
||||
real(pReal), dimension(3,3), intent(in) :: m
|
||||
|
||||
|
||||
math_spherical33 = math_I3 * math_trace33(m)/3.0_pReal
|
||||
|
||||
end function math_spherical33
|
||||
|
|
@ -594,6 +619,7 @@ pure function math_deviatoric33(m)
|
|||
real(pReal), dimension(3,3) :: math_deviatoric33
|
||||
real(pReal), dimension(3,3), intent(in) :: m
|
||||
|
||||
|
||||
math_deviatoric33 = m - math_spherical33(m)
|
||||
|
||||
end function math_deviatoric33
|
||||
|
|
@ -606,6 +632,7 @@ real(pReal) pure function math_trace33(m)
|
|||
|
||||
real(pReal), dimension(3,3), intent(in) :: m
|
||||
|
||||
|
||||
math_trace33 = m(1,1) + m(2,2) + m(3,3)
|
||||
|
||||
end function math_trace33
|
||||
|
|
@ -618,6 +645,7 @@ real(pReal) pure function math_det33(m)
|
|||
|
||||
real(pReal), dimension(3,3), intent(in) :: m
|
||||
|
||||
|
||||
math_det33 = m(1,1)* (m(2,2)*m(3,3)-m(2,3)*m(3,2)) &
|
||||
- m(1,2)* (m(2,1)*m(3,3)-m(2,3)*m(3,1)) &
|
||||
+ m(1,3)* (m(2,1)*m(3,2)-m(2,2)*m(3,1))
|
||||
|
|
@ -632,6 +660,7 @@ real(pReal) pure function math_detSym33(m)
|
|||
|
||||
real(pReal), dimension(3,3), intent(in) :: m
|
||||
|
||||
|
||||
math_detSym33 = -(m(1,1)*m(2,3)**2 + m(2,2)*m(1,3)**2 + m(3,3)*m(1,2)**2) &
|
||||
+ m(1,1)*m(2,2)*m(3,3) + 2.0_pReal * m(1,2)*m(1,3)*m(2,3)
|
||||
|
||||
|
|
@ -761,6 +790,7 @@ pure function math_99to3333(m99)
|
|||
|
||||
integer :: i,j
|
||||
|
||||
|
||||
#ifndef __INTEL_COMPILER
|
||||
do concurrent(i=1:9, j=1:9)
|
||||
math_99to3333(MAPPLAIN(1,i),MAPPLAIN(2,i),MAPPLAIN(1,j),MAPPLAIN(2,j)) = m99(i,j)
|
||||
|
|
@ -1012,6 +1042,7 @@ pure subroutine math_eigh33(w,v,m)
|
|||
real(pReal) :: T, U, norm, threshold
|
||||
logical :: error
|
||||
|
||||
|
||||
w = math_eigvalsh33(m)
|
||||
|
||||
v(1:3,2) = [ m(1, 2) * m(2, 3) - m(1, 3) * m(2, 2), &
|
||||
|
|
@ -1066,6 +1097,7 @@ pure function math_rotationalPart(F) result(R)
|
|||
I_F ! first two invariants of F
|
||||
real(pReal) :: x,Phi
|
||||
|
||||
|
||||
C = matmul(transpose(F),F)
|
||||
I_C = math_invariantsSym33(C)
|
||||
I_F = [math_trace33(F), 0.5*(math_trace33(F)**2 - math_trace33(matmul(F,F)))]
|
||||
|
|
@ -1105,6 +1137,7 @@ pure function math_eigvalsh(m)
|
|||
integer :: ierr
|
||||
real(pReal), dimension(size(m,1)**2) :: work
|
||||
|
||||
|
||||
m_= m ! copy matrix to input (will be destroyed)
|
||||
call dsyev('N','U',size(m,1),m_,size(m,1),math_eigvalsh,work,size(work,1),ierr)
|
||||
if (ierr /= 0) math_eigvalsh = IEEE_value(1.0_pReal,IEEE_quiet_NaN)
|
||||
|
|
@ -1126,6 +1159,7 @@ pure function math_eigvalsh33(m)
|
|||
real(pReal) :: P, Q, rho, phi
|
||||
real(pReal), parameter :: TOL=1.e-14_pReal
|
||||
|
||||
|
||||
I = math_invariantsSym33(m) ! invariants are coefficients in characteristic polynomial apart for the sign of c0 and c2 in http://arxiv.org/abs/physics/0610206
|
||||
|
||||
P = I(2)-I(1)**2/3.0_pReal ! different from http://arxiv.org/abs/physics/0610206 (this formulation was in DAMASK)
|
||||
|
|
@ -1157,6 +1191,7 @@ pure function math_invariantsSym33(m)
|
|||
real(pReal), dimension(3,3), intent(in) :: m
|
||||
real(pReal), dimension(3) :: math_invariantsSym33
|
||||
|
||||
|
||||
math_invariantsSym33(1) = math_trace33(m)
|
||||
math_invariantsSym33(2) = m(1,1)*m(2,2) + m(1,1)*m(3,3) + m(2,2)*m(3,3) &
|
||||
-(m(1,2)**2 + m(1,3)**2 + m(2,3)**2)
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue