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DAMASK_EICMD
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Merge commit 'v2.0.2-443-gd765cf28'

This commit is contained in:
Test User 2018-08-27 08:11:39 +02:00
parent 5f9cf634fd d765cf285b
commit 72e70d872c
21 changed files with 3007 additions and 315 deletions
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30
.gitlab-ci.yml
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@ -3,8 +3,8 @@ stages:
- prepareAll
- preprocessing
- postprocessing
- compileSpectralIntel
- compileSpectralGNU
- compilePETScIntel
- compilePETScGNU
- prepareSpectral
- spectral
- compileMarc2017
@ -186,8 +186,8 @@ Post_ParaviewRelated:
- release
###################################################################################################
Compile_Intel:
stage: compileSpectralIntel
Compile_Spectral_Intel:
stage: compilePETScIntel
script:
- module load $IntelCompiler $MPICH_Intel $PETSc_MPICH_Intel
- SpectralAll_compile/test.py
@ -195,9 +195,18 @@ Compile_Intel:
- master
- release
Compile_FEM_Intel:
stage: compilePETScIntel
script:
- module load $IntelCompiler $MPICH_Intel $PETSc_MPICH_Intel
- FEM_compile/test.py
except:
- master
- release
###################################################################################################
Compile_GNU:
stage: compileSpectralGNU
Compile_Spectral_GNU:
stage: compilePETScGNU
script:
- module load $GNUCompiler $MPICH_GNU $PETSc_MPICH_GNU
- SpectralAll_compile/test.py
@ -205,6 +214,15 @@ Compile_GNU:
- master
- release
Compile_FEM_GNU:
stage: compilePETScGNU
script:
- module load $GNUCompiler $MPICH_GNU $PETSc_MPICH_GNU
- FEM_compile/test.py
except:
- master
- release
###################################################################################################
Compile_Intel_Prepare:
stage: prepareSpectral

2
PRIVATE

@ -1 +1 @@
Subproject commit 81fd7109fea8456b8eecaaef0eec041edcce7792
Subproject commit a764ade044735df35fac93a5204446291ee29abc

2
VERSION
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@ -1 +1 @@
v2.0.2-409-gac011684
v2.0.2-442-gb11666ef

21
src/CMakeLists.txt
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@ -17,13 +17,7 @@ list(APPEND OBJECTFILES $<TARGET_OBJECTS:SYSTEM_ROUTINES>)
add_library(PREC OBJECT "prec.f90")
list(APPEND OBJECTFILES $<TARGET_OBJECTS:PREC>)
if (PROJECT_NAME STREQUAL "DAMASK_spectral")
add_library(DAMASK_INTERFACE OBJECT "spectral_interface.f90")
elseif (PROJECT_NAME STREQUAL "DAMASK_FEM")
add_library(DAMASK_INTERFACE OBJECT "FEM_interface.f90")
else ()
message (FATAL_ERROR "Build target (PROJECT_NAME) is not defined")
endif()
add_library(DAMASK_INTERFACE OBJECT "DAMASK_interface.f90")
add_dependencies(DAMASK_INTERFACE PREC SYSTEM_ROUTINES)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:DAMASK_INTERFACE>)
@ -57,7 +51,7 @@ if (PROJECT_NAME STREQUAL "DAMASK_spectral")
add_dependencies(MESH DAMASK_MATH)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:MESH>)
elseif (PROJECT_NAME STREQUAL "DAMASK_FEM")
add_library(FEZoo OBJECT "FEZoo.f90")
add_library(FEZoo OBJECT "FEM_zoo.f90")
add_dependencies(FEZoo DAMASK_MATH)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:FEZoo>)
add_library(MESH OBJECT "meshFEM.f90")
@ -175,25 +169,24 @@ if (PROJECT_NAME STREQUAL "DAMASK_spectral")
"spectral_mech_Basic.f90")
add_dependencies(SPECTRAL_SOLVER SPECTRAL_UTILITIES)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:SPECTRAL_SOLVER>)
if(NOT CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
add_executable(DAMASK_spectral "DAMASK_spectral.f90" ${OBJECTFILES})
else()
add_library(DAMASK_spectral OBJECT "DAMASK_spectral.f90")
endif()
add_dependencies(DAMASK_spectral SPECTRAL_SOLVER)
elseif (PROJECT_NAME STREQUAL "DAMASK_FEM")
add_library(FEM_UTILITIES OBJECT "FEM_utilities.f90")
add_dependencies(FEM_UTILITIES DAMASK_CPFE)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:FEM_UTILITIES>)
add_library(FEM_SOLVER OBJECT
"FEM_hydrogenflux.f90"
"FEM_porosity.f90"
"FEM_vacancyflux.f90"
"FEM_damage.f90"
"FEM_thermal.f90"
"FEM_mech.f90")
add_dependencies(FEM_SOLVER FEM_UTILITIES)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:FEM_SOLVER>)
add_executable(DAMASK_FEM "DAMASK_FEM_driver.f90")
add_executable(DAMASK_FEM "DAMASK_FEM.f90" ${OBJECTFILES})
add_dependencies(DAMASK_FEM FEM_SOLVER)
endif()

18
src/CPFEM2.f90
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@ -50,8 +50,8 @@ subroutine CPFEM_initAll(el,ip)
IO_init
use DAMASK_interface
#ifdef FEM
use FEZoo, only: &
FEZoo_init
use FEM_Zoo, only: &
FEM_Zoo_init
#endif
implicit none
@ -62,7 +62,7 @@ subroutine CPFEM_initAll(el,ip)
call prec_init
call IO_init
#ifdef FEM
call FEZoo_init
call FEM_Zoo_init
#endif
call numerics_init
call debug_init
@ -196,7 +196,7 @@ end subroutine CPFEM_init
!--------------------------------------------------------------------------------------------------
!> @brief perform initialization at first call, update variables and call the actual material model
!> @brief forwards data after successful increment
!--------------------------------------------------------------------------------------------------
subroutine CPFEM_age()
use prec, only: &
@ -212,16 +212,6 @@ subroutine CPFEM_age()
debug_levelSelective
use FEsolving, only: &
restartWrite
use math, only: &
math_identity2nd, &
math_mul33x33, &
math_det33, &
math_transpose33, &
math_I3, &
math_Mandel3333to66, &
math_Mandel66to3333, &
math_Mandel33to6, &
math_Mandel6to33
use material, only: &
plasticState, &
sourceState, &

654
src/DAMASK_FEM.f90 Normal file
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@ -0,0 +1,654 @@
!--------------------------------------------------------------------------------------------------
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Driver controlling inner and outer load case looping of the FEM solver
!> @details doing cutbacking, forwarding in case of restart, reporting statistics, writing
!> results
!--------------------------------------------------------------------------------------------------
program DAMASK_FEM
use, intrinsic :: &
iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment)
use prec, only: &
pInt, &
pReal, &
tol_math_check
use DAMASK_interface, only: &
DAMASK_interface_init, &
loadCaseFile, &
getSolverJobName
use IO, only: &
IO_read, &
IO_isBlank, &
IO_open_file, &
IO_stringPos, &
IO_stringValue, &
IO_floatValue, &
IO_intValue, &
IO_error, &
IO_lc, &
IO_intOut, &
IO_warning, &
IO_timeStamp, &
IO_EOF
use debug, only: &
debug_level, &
debug_spectral, &
debug_levelBasic
use math ! need to include the whole module for FFTW
use CPFEM2, only: &
CPFEM_initAll
use FEsolving, only: &
restartWrite, &
restartInc
use numerics, only: &
maxCutBack, &
stagItMax, &
worldrank
use mesh, only: &
mesh_Nboundaries, &
mesh_boundaries, &
geomMesh
use FEM_Utilities, only: &
utilities_init, &
tSolutionState, &
tLoadCase, &
cutBack, &
maxFields, &
nActiveFields, &
FIELD_MECH_ID, &
FIELD_THERMAL_ID, &
FIELD_DAMAGE_ID, &
FIELD_SOLUTE_ID, &
FIELD_MGTWIN_ID, &
COMPONENT_MECH_X_ID, &
COMPONENT_MECH_Y_ID, &
COMPONENT_MECH_Z_ID, &
COMPONENT_THERMAL_T_ID, &
COMPONENT_DAMAGE_PHI_ID, &
COMPONENT_SOLUTE_CV_ID, &
COMPONENT_SOLUTE_CVPOT_ID, &
COMPONENT_SOLUTE_CH_ID, &
COMPONENT_SOLUTE_CHPOT_ID, &
COMPONENT_SOLUTE_CVaH_ID, &
COMPONENT_SOLUTE_CVaHPOT_ID, &
COMPONENT_MGTWIN_PHI_ID, &
FIELD_MECH_label, &
FIELD_THERMAL_label, &
FIELD_DAMAGE_label, &
FIELD_SOLUTE_label, &
FIELD_MGTWIN_label
use FEM_mech
implicit none
#include <petsc/finclude/petsc.h>
!--------------------------------------------------------------------------------------------------
! variables related to information from load case and geom file
integer(pInt), parameter :: FILEUNIT = 234_pInt !< file unit, DAMASK IO does not support newunit feature
integer(pInt), allocatable, dimension(:) :: chunkPos ! this is longer than needed for geometry parsing
integer(pInt) :: &
N_def = 0_pInt !< # of rate of deformation specifiers found in load case file
character(len=65536) :: &
line
!--------------------------------------------------------------------------------------------------
! loop variables, convergence etc.
integer(pInt), parameter :: &
subStepFactor = 2_pInt !< for each substep, divide the last time increment by 2.0
real(pReal) :: &
time = 0.0_pReal, & !< elapsed time
time0 = 0.0_pReal, & !< begin of interval
timeinc = 0.0_pReal, & !< current time interval
timeIncOld = 0.0_pReal, & !< previous time interval
remainingLoadCaseTime = 0.0_pReal !< remaining time of current load case
logical :: &
guess !< guess along former trajectory
integer(pInt) :: &
i, &
errorID, &
cutBackLevel = 0_pInt, & !< cut back level \f$ t = \frac{t_{inc}}{2^l} \f$
stepFraction = 0_pInt !< fraction of current time interval
integer(pInt) :: &
currentLoadcase = 0_pInt, & !< current load case
currentFace = 0_pInt, &
inc, & !< current increment in current load case
totalIncsCounter = 0_pInt, & !< total No. of increments
convergedCounter = 0_pInt, & !< No. of converged increments
notConvergedCounter = 0_pInt, & !< No. of non-converged increments
statUnit = 0_pInt, & !< file unit for statistics output
lastRestartWritten = 0_pInt !< total increment No. at which last restart information was written
integer(pInt) :: &
stagIter, &
component
logical :: &
stagIterate
character(len=6) :: loadcase_string
character(len=1024) :: incInfo !< string parsed to solution with information about current load case
type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases
type(tSolutionState), allocatable, dimension(:) :: solres
PetscInt :: faceSet, currentFaceSet
PetscInt :: field, dimPlex
PetscErrorCode :: ierr
external :: &
MPI_abort, &
DMGetDimension, &
DMGetLabelSize, &
DMGetLabelIdIS, &
ISDestroy, &
quit
!--------------------------------------------------------------------------------------------------
! init DAMASK (all modules)
call CPFEM_initAll(el = 1_pInt, ip = 1_pInt)
write(6,'(/,a)') ' <<<+- DAMASK_FEM init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
! reading basic information from load case file and allocate data structure containing load cases
call DMGetDimension(geomMesh,dimPlex,ierr)! CHKERRQ(ierr) !< dimension of mesh (2D or 3D)
nActiveFields = 1
allocate(solres(nActiveFields))
!--------------------------------------------------------------------------------------------------
! reading basic information from load case file and allocate data structure containing load cases
call IO_open_file(FILEUNIT,trim(loadCaseFile))
rewind(FILEUNIT)
do
line = IO_read(FILEUNIT)
if (trim(line) == IO_EOF) exit
if (IO_isBlank(line)) cycle ! skip empty lines
chunkPos = IO_stringPos(line)
do i = 1_pInt, chunkPos(1) ! reading compulsory parameters for loadcase
select case (IO_lc(IO_stringValue(line,chunkPos,i)))
case('$loadcase')
N_def = N_def + 1_pInt
end select
enddo ! count all identifiers to allocate memory and do sanity check
enddo
allocate (loadCases(N_def))
do i = 1, size(loadCases)
allocate(loadCases(i)%fieldBC(nActiveFields))
field = 1
loadCases(i)%fieldBC(field)%ID = FIELD_MECH_ID
enddo
do i = 1, size(loadCases)
do field = 1, nActiveFields
select case (loadCases(i)%fieldBC(field)%ID)
case(FIELD_MECH_ID)
loadCases(i)%fieldBC(field)%nComponents = dimPlex !< X, Y (, Z) displacements
allocate(loadCases(i)%fieldBC(field)%componentBC(loadCases(i)%fieldBC(field)%nComponents))
end select
do component = 1, loadCases(i)%fieldBC(field)%nComponents
allocate(loadCases(i)%fieldBC(field)%componentBC(component)%Value(mesh_Nboundaries), source = 0.0_pReal)
allocate(loadCases(i)%fieldBC(field)%componentBC(component)%Mask (mesh_Nboundaries), source = .false.)
enddo
enddo
enddo
!--------------------------------------------------------------------------------------------------
! reading the load case and assign values to the allocated data structure
rewind(FILEUNIT)
do
line = IO_read(FILEUNIT)
if (trim(line) == IO_EOF) exit
if (IO_isBlank(line)) cycle ! skip empty lines
chunkPos = IO_stringPos(line)
do i = 1_pInt, chunkPos(1)
select case (IO_lc(IO_stringValue(line,chunkPos,i)))
!--------------------------------------------------------------------------------------------------
! loadcase information
case('$loadcase')
currentLoadCase = IO_intValue(line,chunkPos,i+1_pInt)
case('face')
currentFace = IO_intValue(line,chunkPos,i+1_pInt)
currentFaceSet = -1_pInt
do faceSet = 1, mesh_Nboundaries
if (mesh_boundaries(faceSet) == currentFace) currentFaceSet = faceSet
enddo
if (currentFaceSet < 0_pInt) call IO_error(error_ID = errorID, ext_msg = 'invalid BC')
case('t','time','delta') ! increment time
loadCases(currentLoadCase)%time = IO_floatValue(line,chunkPos,i+1_pInt)
case('n','incs','increments','steps') ! number of increments
loadCases(currentLoadCase)%incs = IO_intValue(line,chunkPos,i+1_pInt)
case('logincs','logincrements','logsteps') ! number of increments (switch to log time scaling)
loadCases(currentLoadCase)%incs = IO_intValue(line,chunkPos,i+1_pInt)
loadCases(currentLoadCase)%logscale = 1_pInt
case('freq','frequency','outputfreq') ! frequency of result writings
loadCases(currentLoadCase)%outputfrequency = IO_intValue(line,chunkPos,i+1_pInt)
case('r','restart','restartwrite') ! frequency of writing restart information
loadCases(currentLoadCase)%restartfrequency = &
max(0_pInt,IO_intValue(line,chunkPos,i+1_pInt))
case('guessreset','dropguessing')
loadCases(currentLoadCase)%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory
!--------------------------------------------------------------------------------------------------
! boundary condition information
case('x') ! X displacement field
do field = 1, nActiveFields
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_MECH_ID) then
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_MECH_X_ID) then
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
.true.
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
IO_floatValue(line,chunkPos,i+1_pInt)
endif
enddo
endif
enddo
case('y') ! Y displacement field
do field = 1, nActiveFields
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_MECH_ID) then
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_MECH_Y_ID) then
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
.true.
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
IO_floatValue(line,chunkPos,i+1_pInt)
endif
enddo
endif
enddo
case('z') ! Z displacement field
do field = 1, nActiveFields
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_MECH_ID) then
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_MECH_Z_ID) then
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
.true.
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
IO_floatValue(line,chunkPos,i+1_pInt)
endif
enddo
endif
enddo
case('temp','temperature') ! thermal field
do field = 1, nActiveFields
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_THERMAL_ID) then
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_THERMAL_T_ID) then
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
.true.
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
IO_floatValue(line,chunkPos,i+1_pInt)
endif
enddo
endif
enddo
case('mgtwin') ! mgtwin field
do field = 1, nActiveFields
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_MGTWIN_ID) then
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_MGTWIN_PHI_ID) then
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
.true.
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
IO_floatValue(line,chunkPos,i+1_pInt)
endif
enddo
endif
enddo
case('damage')
do field = 1, nActiveFields
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_DAMAGE_ID) then
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_DAMAGE_PHI_ID) then
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
.true.
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
IO_floatValue(line,chunkPos,i+1_pInt)
endif
enddo
endif
enddo
case('cv')
do field = 1, nActiveFields
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_SOLUTE_ID) then
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_SOLUTE_CV_ID) then
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
.true.
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
IO_floatValue(line,chunkPos,i+1_pInt)
endif
enddo
endif
enddo
case('cvpot')
do field = 1, nActiveFields
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_SOLUTE_ID) then
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_SOLUTE_CVPOT_ID) then
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
.true.
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
IO_floatValue(line,chunkPos,i+1_pInt)
endif
enddo
endif
enddo
case('ch')
do field = 1, nActiveFields
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_SOLUTE_ID) then
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_SOLUTE_CH_ID) then
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
.true.
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
IO_floatValue(line,chunkPos,i+1_pInt)
endif
enddo
endif
enddo
case('chpot')
do field = 1, nActiveFields
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_SOLUTE_ID) then
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_SOLUTE_CHPOT_ID) then
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
.true.
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
IO_floatValue(line,chunkPos,i+1_pInt)
endif
enddo
endif
enddo
case('cvah')
do field = 1, nActiveFields
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_SOLUTE_ID) then
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_SOLUTE_CVaH_ID) then
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
.true.
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
IO_floatValue(line,chunkPos,i+1_pInt)
endif
enddo
endif
enddo
case('cvahpot')
do field = 1, nActiveFields
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_SOLUTE_ID) then
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_SOLUTE_CVaHPOT_ID) then
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
.true.
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
IO_floatValue(line,chunkPos,i+1_pInt)
endif
enddo
endif
enddo
end select
enddo; enddo
close(FILEUNIT)
!--------------------------------------------------------------------------------------------------
! consistency checks and output of load case
loadCases(1)%followFormerTrajectory = .false. ! cannot guess along trajectory for first inc of first currentLoadCase
errorID = 0_pInt
if (worldrank == 0) then
checkLoadcases: do currentLoadCase = 1_pInt, size(loadCases)
write (loadcase_string, '(i6)' ) currentLoadCase
write(6,'(1x,a,i6)') 'load case: ', currentLoadCase
if (.not. loadCases(currentLoadCase)%followFormerTrajectory) &
write(6,'(2x,a)') 'drop guessing along trajectory'
do field = 1_pInt, nActiveFields
select case (loadCases(currentLoadCase)%fieldBC(field)%ID)
case(FIELD_MECH_ID)
write(6,'(2x,a)') 'Field '//trim(FIELD_MECH_label)
case(FIELD_THERMAL_ID)
write(6,'(2x,a)') 'Field '//trim(FIELD_THERMAL_label)
case(FIELD_DAMAGE_ID)
write(6,'(2x,a)') 'Field '//trim(FIELD_DAMAGE_label)
case(FIELD_MGTWIN_ID)
write(6,'(2x,a)') 'Field '//trim(FIELD_MGTWIN_label)
case(FIELD_SOLUTE_ID)
write(6,'(2x,a)') 'Field '//trim(FIELD_SOLUTE_label)
end select
do faceSet = 1_pInt, mesh_Nboundaries
do component = 1_pInt, loadCases(currentLoadCase)%fieldBC(field)%nComponents
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask(faceSet)) &
write(6,'(4x,a,i2,a,i2,a,f12.7)') 'Face ', mesh_boundaries(faceSet), &
' Component ', component, &
' Value ', loadCases(currentLoadCase)%fieldBC(field)% &
componentBC(component)%Value(faceSet)
enddo
enddo
enddo
write(6,'(2x,a,f12.6)') 'time: ', loadCases(currentLoadCase)%time
if (loadCases(currentLoadCase)%incs < 1_pInt) errorID = 835_pInt ! non-positive incs count
write(6,'(2x,a,i5)') 'increments: ', loadCases(currentLoadCase)%incs
if (loadCases(currentLoadCase)%outputfrequency < 1_pInt) errorID = 836_pInt ! non-positive result frequency
write(6,'(2x,a,i5)') 'output frequency: ', &
loadCases(currentLoadCase)%outputfrequency
write(6,'(2x,a,i5,/)') 'restart frequency: ', &
loadCases(currentLoadCase)%restartfrequency
if (errorID > 0_pInt) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message
enddo checkLoadcases
endif
!--------------------------------------------------------------------------------------------------
! doing initialization depending on selected solver
call Utilities_init()
do field = 1, nActiveFields
select case (loadCases(1)%fieldBC(field)%ID)
case(FIELD_MECH_ID)
call FEM_mech_init(loadCases(1)%fieldBC(field))
end select
enddo
!--------------------------------------------------------------------------------------------------
! loopping over loadcases
loadCaseLooping: do currentLoadCase = 1_pInt, size(loadCases)
time0 = time ! currentLoadCase start time
if (loadCases(currentLoadCase)%followFormerTrajectory) then
guess = .true.
else
guess = .false. ! change of load case, homogeneous guess for the first inc
endif
!--------------------------------------------------------------------------------------------------
! loop oper incs defined in input file for current currentLoadCase
incLooping: do inc = 1_pInt, loadCases(currentLoadCase)%incs
totalIncsCounter = totalIncsCounter + 1_pInt
!--------------------------------------------------------------------------------------------------
! forwarding time
timeIncOld = timeinc
if (loadCases(currentLoadCase)%logscale == 0_pInt) then ! linear scale
timeinc = loadCases(currentLoadCase)%time/loadCases(currentLoadCase)%incs ! only valid for given linear time scale. will be overwritten later in case loglinear scale is used
else
if (currentLoadCase == 1_pInt) then ! 1st currentLoadCase of logarithmic scale
if (inc == 1_pInt) then ! 1st inc of 1st currentLoadCase of logarithmic scale
timeinc = loadCases(1)%time*(2.0_pReal**real( 1_pInt-loadCases(1)%incs ,pReal)) ! assume 1st inc is equal to 2nd
else ! not-1st inc of 1st currentLoadCase of logarithmic scale
timeinc = loadCases(1)%time*(2.0_pReal**real(inc-1_pInt-loadCases(1)%incs ,pReal))
endif
else ! not-1st currentLoadCase of logarithmic scale
timeinc = time0 * &
( (1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc,pReal)/&
real(loadCases(currentLoadCase)%incs ,pReal))&
-(1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( (inc-1_pInt),pReal)/&
real(loadCases(currentLoadCase)%incs ,pReal)))
endif
endif
timeinc = timeinc / 2.0_pReal**real(cutBackLevel,pReal) ! depending on cut back level, decrease time step
forwarding: if(totalIncsCounter >= restartInc) then
stepFraction = 0_pInt
!--------------------------------------------------------------------------------------------------
! loop over sub incs
subIncLooping: do while (stepFraction/subStepFactor**cutBackLevel <1_pInt)
time = time + timeinc ! forward time
stepFraction = stepFraction + 1_pInt
remainingLoadCaseTime = time0 - time + loadCases(currentLoadCase)%time + timeInc
!--------------------------------------------------------------------------------------------------
! report begin of new increment
if (worldrank == 0) then
write(6,'(/,a)') ' ###########################################################################'
write(6,'(1x,a,es12.5'//&
',a,'//IO_intOut(inc)//',a,'//IO_intOut(loadCases(currentLoadCase)%incs)//&
',a,'//IO_intOut(stepFraction)//',a,'//IO_intOut(subStepFactor**cutBackLevel)//&
',a,'//IO_intOut(currentLoadCase)//',a,'//IO_intOut(size(loadCases))//')') &
'Time', time, &
's: Increment ', inc, '/', loadCases(currentLoadCase)%incs,&
'-', stepFraction, '/', subStepFactor**cutBackLevel,&
' of load case ', currentLoadCase,'/',size(loadCases)
flush(6)
write(incInfo,'(a,'//IO_intOut(totalIncsCounter)//',a,'//IO_intOut(sum(loadCases%incs))//&
',a,'//IO_intOut(stepFraction)//',a,'//IO_intOut(subStepFactor**cutBackLevel)//')') &
'Increment ',totalIncsCounter,'/',sum(loadCases%incs),&
'-',stepFraction, '/', subStepFactor**cutBackLevel
endif
!--------------------------------------------------------------------------------------------------
! forward fields
do field = 1, nActiveFields
select case (loadCases(currentLoadCase)%fieldBC(field)%ID)
case(FIELD_MECH_ID)
call FEM_mech_forward (&
guess,timeinc,timeIncOld,loadCases(currentLoadCase)%fieldBC(field))
end select
enddo
!--------------------------------------------------------------------------------------------------
! solve fields
stagIter = 0_pInt
stagIterate = .true.
do while (stagIterate)
do field = 1, nActiveFields
select case (loadCases(currentLoadCase)%fieldBC(field)%ID)
case(FIELD_MECH_ID)
solres(field) = FEM_mech_solution (&
incInfo,timeinc,timeIncOld,loadCases(currentLoadCase)%fieldBC(field))
end select
if(.not. solres(field)%converged) exit ! no solution found
enddo
stagIter = stagIter + 1_pInt
stagIterate = stagIter < stagItMax .and. &
all(solres(:)%converged) .and. &
.not. all(solres(:)%stagConverged)
enddo
! check solution
cutBack = .False.
if(.not. all(solres(:)%converged .and. solres(:)%stagConverged)) then ! no solution found
if (cutBackLevel < maxCutBack) then ! do cut back
if (worldrank == 0) &
write(6,'(/,a)') ' cut back detected'
cutBack = .True.
stepFraction = (stepFraction - 1_pInt) * subStepFactor ! adjust to new denominator
cutBackLevel = cutBackLevel + 1_pInt
time = time - timeinc ! rewind time
timeinc = timeinc/2.0_pReal
else ! default behavior, exit if spectral solver does not converge
call IO_warning(850_pInt)
call quit(-1_pInt*(lastRestartWritten+1_pInt)) ! quit and provide information about last restart inc written (e.g. for regridding) ! continue from non-converged solution and start guessing after accepted (sub)inc
endif
else
guess = .true. ! start guessing after first converged (sub)inc
timeIncOld = timeinc
endif
if (.not. cutBack) then
if (worldrank == 0) write(statUnit,*) totalIncsCounter, time, cutBackLevel, &
solres%converged, solres%iterationsNeeded ! write statistics about accepted solution
endif
enddo subIncLooping
cutBackLevel = max(0_pInt, cutBackLevel - 1_pInt) ! try half number of subincs next inc
if(all(solres(:)%converged)) then ! report converged inc
convergedCounter = convergedCounter + 1_pInt
if (worldrank == 0) then
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') &
' increment ', totalIncsCounter, ' converged'
endif
else
if (worldrank == 0) then
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & ! report non-converged inc
' increment ', totalIncsCounter, ' NOT converged'
endif
notConvergedCounter = notConvergedCounter + 1_pInt
endif; flush(6)
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) then ! at output frequency
if (worldrank == 0) then
write(6,'(1/,a)') ' ... writing results to file ......................................'
endif
endif
if( loadCases(currentLoadCase)%restartFrequency > 0_pInt .and. & ! at frequency of writing restart information set restart parameter for FEsolving
mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! ToDo first call to CPFEM_general will write?
restartWrite = .true.
lastRestartWritten = inc
endif
else forwarding
time = time + timeinc
guess = .true.
endif forwarding
enddo incLooping
enddo loadCaseLooping
!--------------------------------------------------------------------------------------------------
! report summary of whole calculation
if (worldrank == 0) then
write(6,'(/,a)') ' ###########################################################################'
write(6,'(1x,i6.6,a,i6.6,a,f5.1,a)') convergedCounter, ' out of ', &
notConvergedCounter + convergedCounter, ' (', &
real(convergedCounter, pReal)/&
real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, &
' %) increments converged!'
endif
if (notConvergedCounter > 0_pInt) call quit(3_pInt) ! error if some are not converged
call quit(0_pInt) ! no complains ;)
end program DAMASK_FEM
!--------------------------------------------------------------------------------------------------
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief quit subroutine to mimic behavior of FEM solvers
!> @details exits the Spectral solver and reports time and duration. Exit code 0 signals
!> everything went fine. Exit code 1 signals an error, message according to IO_error. Exit code
!> 2 signals request for regridding, increment of last saved restart information is written to
!> stderr. Exit code 3 signals no severe problems, but some increments did not converge
!--------------------------------------------------------------------------------------------------
subroutine quit(stop_id)
use prec, only: &
pInt
implicit none
integer(pInt), intent(in) :: stop_id
integer, dimension(8) :: dateAndTime ! type default integer
call date_and_time(values = dateAndTime)
write(6,'(/,a)') 'DAMASK terminated on:'
write(6,'(a,2(i2.2,a),i4.4)') 'Date: ',dateAndTime(3),'/',&
dateAndTime(2),'/',&
dateAndTime(1)
write(6,'(a,2(i2.2,a),i2.2)') 'Time: ',dateAndTime(5),':',&
dateAndTime(6),':',&
dateAndTime(7)
if (stop_id == 0_pInt) stop 0 ! normal termination
if (stop_id < 0_pInt) then ! trigger regridding
write(0,'(a,i6)') 'restart information available at ', stop_id*(-1_pInt)
stop 2
endif
if (stop_id == 3_pInt) stop 3 ! not all incs converged
stop 1 ! error (message from IO_error)
end subroutine quit

154
src/spectral_interface.f90 → src/DAMASK_interface.f90
View File

@ -1,9 +1,11 @@
!--------------------------------------------------------------------------------------------------
!> @author Jaeyong Jung, Max-Planck-Institut für Eisenforschung GmbH
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Interfacing between the spectral solver and the material subroutines provided
!> @brief Interfacing between the PETSc-based solvers and the material subroutines provided
!! by DAMASK
!> @details Interfacing between the spectral solver and the material subroutines provided
!> @details Interfacing between the PETSc-based solvers and the material subroutines provided
!> by DAMASK. Interpretating the command line arguments to get load case, geometry file,
!> and working directory.
!--------------------------------------------------------------------------------------------------
@ -13,12 +15,11 @@ module DAMASK_interface
implicit none
private
logical, public, protected :: appendToOutFile = .false. !< Append to existing spectralOut file (in case of restart, not in case of regridding)
integer(pInt), public, protected :: spectralRestartInc = 0_pInt !< Increment at which calculation starts
integer(pInt), public, protected :: &
interface_restartInc = 0_pInt !< Increment at which calculation starts
character(len=1024), public, protected :: &
geometryFile = '', & !< parameter given for geometry file
loadCaseFile = '' !< parameter given for load case file
character(len=1024), private :: workingDirectory
public :: &
getSolverJobName, &
@ -44,22 +45,36 @@ subroutine DAMASK_interface_init()
#include <petsc/finclude/petscsys.h>
#if PETSC_VERSION_MAJOR!=3 || PETSC_VERSION_MINOR!=9
===================================================================================================
3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x
===================================================================================================
======= THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x ===========================================
========== THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x ========================================
============= THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x =====================================
================ THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x ==================================
=================== THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x ===============================
====================== THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x ============================
========================= THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x =========================
============================ THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x ======================
=============================== THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x ===================
================================== THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x ================
===================================== THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x =============
======================================== THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x ==========
===================================================================================================
3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x
===================================================================================================
#endif
use PETScSys
use system_routines, only: &
getHostName
getHostName, &
getCWD
implicit none
character(len=1024) :: &
commandLine, & !< command line call as string
loadcaseArg = '', & !< -l argument given to DAMASK_spectral.exe
geometryArg = '', & !< -g argument given to DAMASK_spectral.exe
workingDirArg = '', & !< -w argument given to DAMASK_spectral.exe
hostName, & !< name of machine on which DAMASK_spectral.exe is execute (might require export HOSTNAME)
userName, & !< name of user calling DAMASK_spectral.exe
tag
loadcaseArg = '', & !< -l argument given to the executable
geometryArg = '', & !< -g argument given to the executable
workingDirArg = '', & !< -w argument given to the executable
userName !< name of user calling the executable
integer :: &
i, &
#ifdef _OPENMP
@ -72,7 +87,6 @@ subroutine DAMASK_interface_init()
integer, dimension(8) :: &
dateAndTime ! type default integer
PetscErrorCode :: ierr
logical :: error
external :: &
quit,&
PETScErrorF, & ! is called in the CHKERRQ macro
@ -110,7 +124,7 @@ subroutine DAMASK_interface_init()
endif mainProcess
call date_and_time(values = dateAndTime)
write(6,'(/,a)') ' <<<+- DAMASK_spectral -+>>>'
write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>'
write(6,'(a,/)') ' Roters et al., Computational Materials Science, 2018'
write(6,'(/,a)') ' Version: '//DAMASKVERSION
write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',&
@ -120,7 +134,6 @@ subroutine DAMASK_interface_init()
dateAndTime(6),':',&
dateAndTime(7)
write(6,'(/,a,i4.1)') ' MPI processes: ',worldsize
write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>'
#include "compilation_info.f90"
call get_command(commandLine)
@ -129,9 +142,8 @@ subroutine DAMASK_interface_init()
select case(IIO_stringValue(commandLine,chunkPos,i)) ! extract key
case ('-h','--help')
write(6,'(a)') ' #######################################################################'
write(6,'(a)') ' DAMASK_spectral:'
write(6,'(a)') ' The spectral method boundary value problem solver for'
write(6,'(a)') ' the Düsseldorf Advanced Material Simulation Kit'
write(6,'(a)') ' DAMASK Command Line Interface:'
write(6,'(a)') ' For PETSc-based solvers for the Düsseldorf Advanced Material Simulation Kit'
write(6,'(a,/)')' #######################################################################'
write(6,'(a,/)')' Valid command line switches:'
write(6,'(a)') ' --geom (-g, --geometry)'
@ -141,23 +153,14 @@ subroutine DAMASK_interface_init()
write(6,'(a)') ' --help (-h)'
write(6,'(/,a)')' -----------------------------------------------------------------------'
write(6,'(a)') ' Mandatory arguments:'
write(6,'(/,a)')' --geom PathToGeomFile/NameOfGeom.geom'
write(6,'(a)') ' Specifies the location of the geometry definition file,'
write(6,'(a)') ' if no extension is given, .geom will be appended.'
write(6,'(a)') ' "PathToGeomFile" will be the working directory if not specified'
write(6,'(a)') ' via --workingdir.'
write(6,'(a)') ' Make sure the file "material.config" exists in the working'
write(6,'(a)') ' directory.'
write(6,'(a)') ' For further configuration place "numerics.config"'
write(6,'(a)')' and "numerics.config" in that directory.'
write(6,'(/,a)')' --load PathToLoadFile/NameOfLoadFile.load'
write(6,'(a)') ' Specifies the location of the load case definition file,'
write(6,'(a)') ' if no extension is given, .load will be appended.'
write(6,'(/,a)')' --geom PathToGeomFile/NameOfGeom'
write(6,'(a)') ' Specifies the location of the geometry definition file.'
write(6,'(/,a)')' --load PathToLoadFile/NameOfLoadFile'
write(6,'(a)') ' Specifies the location of the load case definition file.'
write(6,'(/,a)')' -----------------------------------------------------------------------'
write(6,'(a)') ' Optional arguments:'
write(6,'(/,a)')' --workingdirectory PathToWorkingDirectory'
write(6,'(a)') ' Specifies the working directory and overwrites the default'
write(6,'(a)') ' "PathToGeomFile".'
write(6,'(a)') ' Specifies the working directory and overwrites the default ./'
write(6,'(a)') ' Make sure the file "material.config" exists in the working'
write(6,'(a)') ' directory.'
write(6,'(a)') ' For further configuration place "numerics.config"'
@ -166,7 +169,7 @@ subroutine DAMASK_interface_init()
write(6,'(a)') ' Reads in increment XX and continues with calculating'
write(6,'(a)') ' increment XX+1 based on this.'
write(6,'(a)') ' Appends to existing results file'
write(6,'(a)') ' "NameOfGeom_NameOfLoadFile.spectralOut".'
write(6,'(a)') ' "NameOfGeom_NameOfLoadFile".'
write(6,'(a)') ' Works only if the restart information for increment XX'
write(6,'(a)') ' is available in the working directory.'
write(6,'(/,a)')' -----------------------------------------------------------------------'
@ -182,8 +185,7 @@ subroutine DAMASK_interface_init()
if (i < chunkPos(1)) workingDirArg = trim(IIO_stringValue(commandLine,chunkPos,i+1_pInt))
case ('-r', '--rs', '--restart')
if (i < chunkPos(1)) then
spectralRestartInc = IIO_IntValue(commandLine,chunkPos,i+1_pInt)
appendToOutFile = .true.
interface_restartInc = IIO_IntValue(commandLine,chunkPos,i+1_pInt)
endif
end select
enddo
@ -193,26 +195,25 @@ subroutine DAMASK_interface_init()
call quit(1_pInt)
endif
workingDirectory = trim(setWorkingDirectory(trim(workingDirArg)))
if (len_trim(workingDirArg) > 0) call setWorkingDirectory(trim(workingDirArg))
geometryFile = getGeometryFile(geometryArg)
loadCaseFile = getLoadCaseFile(loadCaseArg)
call get_environment_variable('USER',userName)
error = getHostName(hostName)
write(6,'(a,a)') ' Host name: ', trim(hostName)
! ToDo: https://stackoverflow.com/questions/8953424/how-to-get-the-username-in-c-c-in-linux
write(6,'(a,a)') ' Host name: ', trim(getHostName())
write(6,'(a,a)') ' User name: ', trim(userName)
write(6,'(a,a)') ' Command line call: ', trim(commandLine)
if (len(trim(workingDirArg)) > 0) &
write(6,'(a,a)') ' Working dir argument: ', trim(workingDirArg)
write(6,'(a,a)') ' Geometry argument: ', trim(geometryArg)
write(6,'(a,a)') ' Loadcase argument: ', trim(loadcaseArg)
write(6,'(a,a)') ' Working directory: ', trim(workingDirectory)
write(6,'(a,a)') ' Working directory: ', trim(getCWD())
write(6,'(a,a)') ' Geometry file: ', trim(geometryFile)
write(6,'(a,a)') ' Loadcase file: ', trim(loadCaseFile)
write(6,'(a,a)') ' Solver job name: ', trim(getSolverJobName())
if (SpectralRestartInc > 0_pInt) &
write(6,'(a,i6.6)') ' Restart from increment: ', spectralRestartInc
write(6,'(a,l1,/)') ' Append to result file: ', appendToOutFile
if (interface_restartInc > 0_pInt) &
write(6,'(a,i6.6)') ' Restart from increment: ', interface_restartInc
end subroutine DAMASK_interface_init
@ -221,38 +222,32 @@ end subroutine DAMASK_interface_init
!> @brief extract working directory from given argument or from location of geometry file,
!! possibly converting relative arguments to absolut path
!--------------------------------------------------------------------------------------------------
character(len=1024) function setWorkingDirectory(workingDirectoryArg)
subroutine setWorkingDirectory(workingDirectoryArg)
use system_routines, only: &
getCWD, &
setCWD
implicit none
character(len=*), intent(in) :: workingDirectoryArg !< working directory argument
logical :: error
character(len=1024) :: workingDirectory !< working directory argument
external :: quit
logical :: error
wdGiven: if (len(workingDirectoryArg)>0) then
absolutePath: if (workingDirectoryArg(1:1) == '/') then
setWorkingDirectory = workingDirectoryArg
workingDirectory = workingDirectoryArg
else absolutePath
error = getCWD(setWorkingDirectory)
if (error) call quit(1_pInt)
setWorkingDirectory = trim(setWorkingDirectory)//'/'//workingDirectoryArg
workingDirectory = getCWD()
workingDirectory = trim(workingDirectory)//'/'//workingDirectoryArg
endif absolutePath
else wdGiven
error = getCWD(setWorkingDirectory) ! relative path given as command line argument
if (error) call quit(1_pInt)
endif wdGiven
setWorkingDirectory = trim(rectifyPath(setWorkingDirectory))
error = setCWD(trim(setWorkingDirectory))
workingDirectory = trim(rectifyPath(workingDirectory))
error = setCWD(trim(workingDirectory))
if(error) then
write(6,'(a20,a,a16)') ' working directory "',trim(setWorkingDirectory),'" does not exist'
write(6,'(a20,a,a16)') ' working directory "',trim(workingDirectory),'" does not exist'
call quit(1_pInt)
endif
end function setWorkingDirectory
end subroutine setWorkingDirectory
!--------------------------------------------------------------------------------------------------
@ -284,22 +279,15 @@ end function getSolverJobName
!> @brief basename of geometry file with extension from command line arguments
!--------------------------------------------------------------------------------------------------
character(len=1024) function getGeometryFile(geometryParameter)
use system_routines, only: &
getCWD
implicit none
character(len=1024), intent(in) :: &
geometryParameter
integer :: posExt, posSep
external :: quit
character(len=1024), intent(in) :: geometryParameter
getGeometryFile = trim(geometryParameter)
posExt = scan(getGeometryFile,'.',back=.true.)
posSep = scan(getGeometryFile,'/',back=.true.)
if (posExt <= posSep) getGeometryFile = trim(getGeometryFile)//('.geom')
if (scan(getGeometryFile,'/') /= 1) &
getGeometryFile = trim(workingDirectory)//'/'//trim(getGeometryFile)
getGeometryFile = makeRelativePath(workingDirectory, getGeometryFile)
if (scan(getGeometryFile,'/') /= 1) getGeometryFile = trim(getCWD())//'/'//trim(getGeometryFile)
getGeometryFile = makeRelativePath(trim(getCWD()), getGeometryFile)
end function getGeometryFile
@ -309,22 +297,15 @@ end function getGeometryFile
!> @brief relative path of loadcase from command line arguments
!--------------------------------------------------------------------------------------------------
character(len=1024) function getLoadCaseFile(loadCaseParameter)
use system_routines, only: &
getCWD
implicit none
character(len=1024), intent(in) :: &
loadCaseParameter
integer :: posExt, posSep
external :: quit
character(len=1024), intent(in) :: loadCaseParameter
getLoadCaseFile = trim(loadCaseParameter)
posExt = scan(getLoadCaseFile,'.',back=.true.)
posSep = scan(getLoadCaseFile,'/',back=.true.)
if (posExt <= posSep) getLoadCaseFile = trim(getLoadCaseFile)//('.load')
if (scan(getLoadCaseFile,'/') /= 1) &
getLoadCaseFile = trim(workingDirectory)//'/'//trim(getLoadCaseFile)
getLoadCaseFile = makeRelativePath(workingDirectory, getLoadCaseFile)
if (scan(getLoadCaseFile,'/') /= 1) getLoadCaseFile = trim(getCWD())//'/'//trim(getLoadCaseFile)
getLoadCaseFile = makeRelativePath(trim(getCWD()), getLoadCaseFile)
end function getLoadCaseFile
@ -337,21 +318,20 @@ function rectifyPath(path)
implicit none
character(len=*) :: path
character(len=len_trim(path)) :: rectifyPath
character(len=1024) :: rectifyPath
integer :: i,j,k,l ! no pInt
!--------------------------------------------------------------------------------------------------
! remove /./ from path
l = len_trim(path)
rectifyPath = path
rectifyPath = trim(path)
l = len_trim(rectifyPath)
do i = l,3,-1
if (rectifyPath(i-2:i) == '/./') rectifyPath(i-1:l) = rectifyPath(i+1:l)//' '
enddo
!--------------------------------------------------------------------------------------------------
! remove // from path
l = len_trim(path)
rectifyPath = path
l = len_trim(rectifyPath)
do i = l,2,-1
if (rectifyPath(i-1:i) == '//') rectifyPath(i-1:l) = rectifyPath(i:l)//' '
enddo

15
src/DAMASK_spectral.f90
View File

@ -20,14 +20,12 @@ program DAMASK_spectral
pReal, &
tol_math_check, &
dNeq
use system_routines, only: &
getCWD
use DAMASK_interface, only: &
DAMASK_interface_init, &
loadCaseFile, &
geometryFile, &
getSolverJobName, &
appendToOutFile
interface_restartInc
use IO, only: &
IO_read, &
IO_isBlank, &
@ -383,8 +381,7 @@ program DAMASK_spectral
!--------------------------------------------------------------------------------------------------
! write header of output file
if (worldrank == 0) then
if (.not. appendToOutFile) then ! after restart, append to existing results file
if (getCWD(workingDir)) call IO_error(106_pInt,ext_msg=trim(workingDir))
writeHeader: if (interface_restartInc < 1_pInt) then
open(newunit=resUnit,file=trim(getSolverJobName())//&
'.spectralOut',form='UNFORMATTED',status='REPLACE')
write(resUnit) 'load:', trim(loadCaseFile) ! ... and write header
@ -407,10 +404,10 @@ program DAMASK_spectral
if (iand(debug_level(debug_spectral),debug_levelBasic) /= 0) &
write(6,'(/,a)') ' header of result and statistics file written out'
flush(6)
else ! open new files ...
else writeHeader
open(newunit=statUnit,file=trim(getSolverJobName())//&
'.sta',form='FORMATTED', position='APPEND', status='OLD')
endif
endif writeHeader
endif
!--------------------------------------------------------------------------------------------------
@ -431,7 +428,7 @@ program DAMASK_spectral
call MPI_file_seek (resUnit,fileOffset,MPI_SEEK_SET,ierr)
if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_seek')
if (.not. appendToOutFile) then ! if not restarting, write 0th increment
writeUndeformed: if (interface_restartInc < 1_pInt) then
write(6,'(1/,a)') ' ... writing initial configuration to file ........................'
do i = 1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
outputIndex = int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, & ! QUESTION: why not starting i at 0 instead of murky 1?
@ -443,7 +440,7 @@ program DAMASK_spectral
if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_write')
enddo
fileOffset = fileOffset + sum(outputSize) ! forward to current file position
endif
endif writeUndeformed
!--------------------------------------------------------------------------------------------------
! looping over loadcases
loadCaseLooping: do currentLoadCase = 1_pInt, size(loadCases)

734
src/FEM_mech.f90 Normal file
View File

@ -0,0 +1,734 @@
!--------------------------------------------------------------------------------------------------
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief FEM PETSc solver
!--------------------------------------------------------------------------------------------------
module FEM_mech
#include <petsc/finclude/petsc.h>
use PETScdmda
use PETScsnes
use PETScDM
use PETScDMplex
use prec, only: &
pInt, &
pReal
use math, only: &
math_I3
use FEM_utilities, only: &
tSolutionState, &
tFieldBC, &
tComponentBC
use numerics, only: &
worldrank, &
worldsize
use mesh, only: &
mesh_Nboundaries, &
mesh_boundaries
implicit none
private
!--------------------------------------------------------------------------------------------------
! derived types
type tSolutionParams
type(tFieldBC) :: fieldBC
real(pReal) :: timeinc
real(pReal) :: timeincOld
end type tSolutionParams
type(tSolutionParams), private :: params
!--------------------------------------------------------------------------------------------------
! PETSc data
SNES, private :: mech_snes
Vec, private :: solution, solution_rate, solution_local
PetscInt, private :: dimPlex, cellDof, nQuadrature, nBasis
PetscReal, allocatable, target,dimension(:), private :: qPoints, qWeights
MatNullSpace, private :: matnull
!--------------------------------------------------------------------------------------------------
! stress, stiffness and compliance average etc.
character(len=1024), private :: incInfo
real(pReal), private, dimension(3,3) :: &
P_av = 0.0_pReal
logical, private :: ForwardData
real(pReal), parameter, private :: eps = 1.0e-18_pReal
public :: &
FEM_mech_init, &
FEM_mech_solution ,&
FEM_mech_forward, &
FEM_mech_destroy
external :: &
MatZeroRowsColumnsLocalIS, &
PetscQuadratureCreate, &
PetscFECreateDefault, &
PetscFESetQuadrature, &
PetscFEGetDimension, &
PetscFEDestroy, &
PetscFEGetDualSpace, &
PetscQuadratureDestroy, &
PetscDSSetDiscretization, &
PetscDSGetTotalDimension, &
PetscDSGetDiscretization, &
PetscDualSpaceGetFunctional, &
DMGetLabelSize, &
DMSNESSetFunctionLocal, &
DMSNESSetJacobianLocal, &
SNESSetOptionsPrefix, &
SNESSetConvergenceTest, &
PetscObjectSetName
contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates all neccessary fields and fills them with data, potentially from restart info
!--------------------------------------------------------------------------------------------------
subroutine FEM_mech_init(fieldBC)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment)
use IO, only: &
IO_timeStamp, &
IO_error
use DAMASK_interface, only: &
getSolverJobName
use mesh, only: &
geomMesh
use numerics, only: &
worldrank, &
itmax, &
integrationOrder
use FEM_Zoo, only: &
FEM_Zoo_nQuadrature, &
FEM_Zoo_QuadraturePoints, &
FEM_Zoo_QuadratureWeights
implicit none
type(tFieldBC), intent(in) :: fieldBC
DM :: mech_mesh
PetscFE :: mechFE
PetscQuadrature :: mechQuad, functional
PetscDS :: mechDS
PetscDualSpace :: mechDualSpace
DMLabel :: BCLabel
PetscInt, allocatable, target :: numComp(:), numDoF(:), bcField(:)
PetscInt, pointer :: pNumComp(:), pNumDof(:), pBcField(:), pBcPoint(:)
PetscInt :: numBC, bcSize
IS :: bcPoint
IS, allocatable, target :: bcComps(:), bcPoints(:)
IS, pointer :: pBcComps(:), pBcPoints(:)
PetscSection :: section
PetscInt :: field, faceSet, topologDim, nNodalPoints
PetscReal, pointer :: qPointsP(:), qWeightsP(:), &
nodalPointsP(:), nodalWeightsP(:)
PetscReal, allocatable, target :: nodalPoints(:), nodalWeights(:)
PetscScalar, pointer :: px_scal(:)
PetscScalar, allocatable, target :: x_scal(:)
PetscReal :: detJ
PetscReal, allocatable, target :: v0(:), cellJ(:), invcellJ(:), cellJMat(:,:)
PetscReal, pointer :: pV0(:), pCellJ(:), pInvcellJ(:)
PetscInt :: cellStart, cellEnd, cell, basis
character(len=7) :: prefix = 'mechFE_'
PetscErrorCode :: ierr
write(6,'(/,a)') ' <<<+- FEM_mech init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
!--------------------------------------------------------------------------------------------------
! Setup FEM mech mesh
call DMClone(geomMesh,mech_mesh,ierr); CHKERRQ(ierr)
call DMGetDimension(mech_mesh,dimPlex,ierr); CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------
! Setup FEM mech discretization
allocate(qPoints(dimPlex*FEM_Zoo_nQuadrature(dimPlex,integrationOrder)))
allocate(qWeights(FEM_Zoo_nQuadrature(dimPlex,integrationOrder)))
qPoints = FEM_Zoo_QuadraturePoints(dimPlex,integrationOrder)%p
qWeights = FEM_Zoo_QuadratureWeights(dimPlex,integrationOrder)%p
nQuadrature = FEM_Zoo_nQuadrature(dimPlex,integrationOrder)
qPointsP => qPoints
qWeightsP => qWeights
call PetscQuadratureCreate(PETSC_COMM_SELF,mechQuad,ierr); CHKERRQ(ierr)
call PetscQuadratureSetData(mechQuad,dimPlex,nQuadrature,qPointsP,qWeightsP,ierr)
CHKERRQ(ierr)
call PetscFECreateDefault(mech_mesh,dimPlex,dimPlex,PETSC_TRUE,prefix, &
integrationOrder,mechFE,ierr); CHKERRQ(ierr)
call PetscFESetQuadrature(mechFE,mechQuad,ierr); CHKERRQ(ierr)
call PetscFEGetDimension(mechFE,nBasis,ierr); CHKERRQ(ierr)
call DMGetDS(mech_mesh,mechDS,ierr); CHKERRQ(ierr)
call PetscDSAddDiscretization(mechDS,mechFE,ierr); CHKERRQ(ierr)
call PetscDSGetTotalDimension(mechDS,cellDof,ierr); CHKERRQ(ierr)
call PetscFEDestroy(mechFE,ierr); CHKERRQ(ierr)
call PetscQuadratureDestroy(mechQuad,ierr); CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------
! Setup FEM mech boundary conditions
call DMGetLabel(mech_mesh,'Face Sets',BCLabel,ierr); CHKERRQ(ierr)
call DMPlexLabelComplete(mech_mesh,BCLabel,ierr); CHKERRQ(ierr)
call DMGetDefaultSection(mech_mesh,section,ierr); CHKERRQ(ierr)
allocate(numComp(1), source=dimPlex); pNumComp => numComp
allocate(numDof(dimPlex+1), source = 0); pNumDof => numDof
do topologDim = 0, dimPlex
call DMPlexGetDepthStratum(mech_mesh,topologDim,cellStart,cellEnd,ierr)
CHKERRQ(ierr)
call PetscSectionGetDof(section,cellStart,numDof(topologDim+1),ierr)
CHKERRQ(ierr)
enddo
numBC = 0
do field = 1, dimPlex; do faceSet = 1, mesh_Nboundaries
if (fieldBC%componentBC(field)%Mask(faceSet)) numBC = numBC + 1
enddo; enddo
allocate(bcField(numBC), source=0); pBcField => bcField
allocate(bcComps(numBC)); pBcComps => bcComps
allocate(bcPoints(numBC)); pBcPoints => bcPoints
numBC = 0
do field = 1, dimPlex; do faceSet = 1, mesh_Nboundaries
if (fieldBC%componentBC(field)%Mask(faceSet)) then
numBC = numBC + 1
call ISCreateGeneral(PETSC_COMM_WORLD,1,[field-1],PETSC_COPY_VALUES,bcComps(numBC),ierr)
CHKERRQ(ierr)
call DMGetStratumSize(mech_mesh,'Face Sets',mesh_boundaries(faceSet),bcSize,ierr)
CHKERRQ(ierr)
if (bcSize > 0) then
call DMGetStratumIS(mech_mesh,'Face Sets',mesh_boundaries(faceSet),bcPoint,ierr)
CHKERRQ(ierr)
call ISGetIndicesF90(bcPoint,pBcPoint,ierr); CHKERRQ(ierr)
call ISCreateGeneral(PETSC_COMM_WORLD,bcSize,pBcPoint,PETSC_COPY_VALUES,bcPoints(numBC),ierr)
CHKERRQ(ierr)
call ISRestoreIndicesF90(bcPoint,pBcPoint,ierr); CHKERRQ(ierr)
call ISDestroy(bcPoint,ierr); CHKERRQ(ierr)
else
call ISCreateGeneral(PETSC_COMM_WORLD,0,[0],PETSC_COPY_VALUES,bcPoints(numBC),ierr)
CHKERRQ(ierr)
endif
endif
enddo; enddo
call DMPlexCreateSection(mech_mesh,dimPlex,1,pNumComp,pNumDof, &
numBC,pBcField,pBcComps,pBcPoints,PETSC_NULL_IS, &
section,ierr)
CHKERRQ(ierr)
call DMSetDefaultSection(mech_mesh,section,ierr); CHKERRQ(ierr)
do faceSet = 1, numBC
call ISDestroy(bcPoints(faceSet),ierr); CHKERRQ(ierr)
enddo
!--------------------------------------------------------------------------------------------------
! initialize solver specific parts of PETSc
call SNESCreate(PETSC_COMM_WORLD,mech_snes,ierr);CHKERRQ(ierr)
call SNESSetOptionsPrefix(mech_snes,'mech_',ierr);CHKERRQ(ierr)
call SNESSetDM(mech_snes,mech_mesh,ierr); CHKERRQ(ierr) !< set the mesh for non-linear solver
call DMCreateGlobalVector(mech_mesh,solution ,ierr); CHKERRQ(ierr) !< locally owned displacement Dofs
call DMCreateGlobalVector(mech_mesh,solution_rate ,ierr); CHKERRQ(ierr) !< locally owned velocity Dofs to guess solution at next load step
call DMCreateLocalVector (mech_mesh,solution_local ,ierr); CHKERRQ(ierr) !< locally owned velocity Dofs to guess solution at next load step
call DMSNESSetFunctionLocal(mech_mesh,FEM_mech_formResidual,PETSC_NULL_VEC,ierr) !< function to evaluate residual forces
CHKERRQ(ierr)
call DMSNESSetJacobianLocal(mech_mesh,FEM_mech_formJacobian,PETSC_NULL_VEC,ierr) !< function to evaluate stiffness matrix
CHKERRQ(ierr)
call SNESSetMaxLinearSolveFailures(mech_snes, huge(1), ierr); CHKERRQ(ierr) !< ignore linear solve failures
call SNESSetConvergenceTest(mech_snes,FEM_mech_converged,PETSC_NULL_VEC,PETSC_NULL_FUNCTION,ierr)
CHKERRQ(ierr)
call SNESSetTolerances(mech_snes,1.0,0.0,0.0,itmax,itmax,ierr)
CHKERRQ(ierr)
call SNESSetFromOptions(mech_snes,ierr); CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------
! init fields
call VecSet(solution ,0.0,ierr); CHKERRQ(ierr)
call VecSet(solution_rate ,0.0,ierr); CHKERRQ(ierr)
allocate(x_scal(cellDof))
allocate(nodalPoints (dimPlex))
allocate(nodalWeights(1))
nodalPointsP => nodalPoints
nodalWeightsP => nodalWeights
allocate(v0(dimPlex))
allocate(cellJ(dimPlex*dimPlex))
allocate(invcellJ(dimPlex*dimPlex))
allocate(cellJMat(dimPlex,dimPlex))
pV0 => v0
pCellJ => cellJ
pInvcellJ => invcellJ
call DMGetDefaultSection(mech_mesh,section,ierr); CHKERRQ(ierr)
call DMGetDS(mech_mesh,mechDS,ierr); CHKERRQ(ierr)
call PetscDSGetDiscretization(mechDS,0,mechFE,ierr)
CHKERRQ(ierr)
call PetscFEGetDualSpace(mechFE,mechDualSpace,ierr); CHKERRQ(ierr)
call DMPlexGetHeightStratum(mech_mesh,0,cellStart,cellEnd,ierr)
CHKERRQ(ierr)
do cell = cellStart, cellEnd-1 !< loop over all elements
x_scal = 0.0
call DMPlexComputeCellGeometryAffineFEM(mech_mesh,cell,pV0,pCellJ,pInvcellJ,detJ,ierr)
CHKERRQ(ierr)
cellJMat = reshape(pCellJ,shape=[dimPlex,dimPlex])
do basis = 0, nBasis-1
call PetscDualSpaceGetFunctional(mechDualSpace,basis,functional,ierr)
CHKERRQ(ierr)
call PetscQuadratureGetData(functional,dimPlex,nNodalPoints,nodalPointsP,nodalWeightsP,ierr)
CHKERRQ(ierr)
x_scal(basis*dimPlex+1:(basis+1)*dimPlex) = pV0 + matmul(transpose(cellJMat),nodalPointsP + 1.0)
enddo
px_scal => x_scal
call DMPlexVecSetClosure(mech_mesh,section,solution_local,cell,px_scal,INSERT_ALL_VALUES,ierr)
CHKERRQ(ierr)
enddo
end subroutine FEM_mech_init
!--------------------------------------------------------------------------------------------------
!> @brief solution for the FEM load step
!--------------------------------------------------------------------------------------------------
type(tSolutionState) function FEM_mech_solution( &
incInfoIn,timeinc,timeinc_old,fieldBC)
use numerics, only: &
itmax
use FEsolving, only: &
terminallyIll
implicit none
!--------------------------------------------------------------------------------------------------
! input data for solution
real(pReal), intent(in) :: &
timeinc, & !< increment in time for current solution
timeinc_old !< increment in time of last increment
type(tFieldBC), intent(in) :: &
fieldBC
character(len=*), intent(in) :: &
incInfoIn
!--------------------------------------------------------------------------------------------------
!
PetscErrorCode :: ierr
SNESConvergedReason :: reason
incInfo = incInfoIn
FEM_mech_solution%converged =.false.
!--------------------------------------------------------------------------------------------------
! set module wide availabe data
params%timeinc = timeinc
params%timeincOld = timeinc_old
params%fieldBC = fieldBC
call SNESSolve(mech_snes,PETSC_NULL_VEC,solution,ierr); CHKERRQ(ierr) ! solve mech_snes based on solution guess (result in solution)
call SNESGetConvergedReason(mech_snes,reason,ierr); CHKERRQ(ierr) ! solution converged?
terminallyIll = .false.
if (reason < 1) then ! 0: still iterating (will not occur), negative -> convergence error
FEM_mech_solution%converged = .false.
FEM_mech_solution%iterationsNeeded = itmax
else ! >= 1 proper convergence (or terminally ill)
FEM_mech_solution%converged = .true.
call SNESGetIterationNumber(mech_snes,FEM_mech_solution%iterationsNeeded,ierr)
CHKERRQ(ierr)
endif
write(6,'(/,a)') ' ==========================================================================='
flush(6)
end function FEM_mech_solution
!--------------------------------------------------------------------------------------------------
!> @brief forms the FEM residual vector
!--------------------------------------------------------------------------------------------------
subroutine FEM_mech_formResidual(dm_local,xx_local,f_local,dummy,ierr)
use numerics, only: &
BBarStabilisation
use FEM_utilities, only: &
utilities_projectBCValues, &
utilities_constitutiveResponse
use homogenization, only: &
materialpoint_F, &
materialpoint_P
use math, only: &
math_det33, &
math_inv33
use FEsolving, only: &
terminallyIll
implicit none
DM :: dm_local
PetscDS :: prob
Vec :: x_local, f_local, xx_local
PetscSection :: section
PetscScalar, dimension(:), pointer :: x_scal, pf_scal
PetscScalar, target :: f_scal(cellDof)
PetscReal :: detJ, IcellJMat(dimPlex,dimPlex)
PetscReal, target :: v0(dimPlex), cellJ(dimPlex*dimPlex), &
invcellJ(dimPlex*dimPlex)
PetscReal, pointer :: pV0(:), pCellJ(:), pInvcellJ(:)
PetscReal, pointer :: basisField(:), basisFieldDer(:)
PetscInt :: cellStart, cellEnd, cell, field, face, &
qPt, basis, comp, cidx
PetscReal :: detFAvg
PetscReal :: BMat(dimPlex*dimPlex,cellDof)
PetscObject :: dummy
PetscInt :: bcSize
IS :: bcPoints
PetscErrorCode :: ierr
pV0 => v0
pCellJ => cellJ
pInvcellJ => invcellJ
call DMGetDefaultSection(dm_local,section,ierr); CHKERRQ(ierr)
call DMGetDS(dm_local,prob,ierr); CHKERRQ(ierr)
call PetscDSGetTabulation(prob,0,basisField,basisFieldDer,ierr)
CHKERRQ(ierr)
call DMPlexGetHeightStratum(dm_local,0,cellStart,cellEnd,ierr); CHKERRQ(ierr)
call DMGetLocalVector(dm_local,x_local,ierr); CHKERRQ(ierr)
call VecWAXPY(x_local,1.0,xx_local,solution_local,ierr); CHKERRQ(ierr)
do field = 1, dimPlex; do face = 1, mesh_Nboundaries
if (params%fieldBC%componentBC(field)%Mask(face)) then
call DMGetStratumSize(dm_local,'Face Sets',mesh_boundaries(face),bcSize,ierr)
if (bcSize > 0) then
call DMGetStratumIS(dm_local,'Face Sets',mesh_boundaries(face),bcPoints,ierr)
CHKERRQ(ierr)
call utilities_projectBCValues(x_local,section,0,field-1,bcPoints, &
0.0,params%fieldBC%componentBC(field)%Value(face),params%timeinc)
call ISDestroy(bcPoints,ierr); CHKERRQ(ierr)
endif
endif
enddo; enddo
!--------------------------------------------------------------------------------------------------
! evaluate field derivatives
do cell = cellStart, cellEnd-1 !< loop over all elements
call DMPlexVecGetClosure(dm_local,section,x_local,cell,x_scal,ierr) !< get Dofs belonging to element
CHKERRQ(ierr)
call DMPlexComputeCellGeometryAffineFEM(dm_local,cell,pV0,pCellJ,pInvcellJ,detJ,ierr)
CHKERRQ(ierr)
IcellJMat = reshape(pInvcellJ,shape=[dimPlex,dimPlex])
do qPt = 0, nQuadrature-1
BMat = 0.0
do basis = 0, nBasis-1
do comp = 0, dimPlex-1
cidx = basis*dimPlex+comp
BMat(comp*dimPlex+1:(comp+1)*dimPlex,basis*dimPlex+comp+1) = &
matmul(IcellJMat,basisFieldDer((qPt*nBasis*dimPlex+cidx )*dimPlex+1: &
(qPt*nBasis*dimPlex+cidx+1)*dimPlex ))
enddo
enddo
materialpoint_F(1:dimPlex,1:dimPlex,qPt+1,cell+1) = &
reshape(matmul(BMat,x_scal),shape=[dimPlex,dimPlex], order=[2,1])
enddo
if (BBarStabilisation) then
detFAvg = math_det33(sum(materialpoint_F(1:3,1:3,1:nQuadrature,cell+1),dim=3)/real(nQuadrature))
do qPt = 1, nQuadrature
materialpoint_F(1:dimPlex,1:dimPlex,qPt,cell+1) = &
materialpoint_F(1:dimPlex,1:dimPlex,qPt,cell+1)* &
(detFAvg/math_det33(materialpoint_F(1:3,1:3,qPt,cell+1)))**(1.0/real(dimPlex))
enddo
endif
call DMPlexVecRestoreClosure(dm_local,section,x_local,cell,x_scal,ierr)
CHKERRQ(ierr)
enddo
!--------------------------------------------------------------------------------------------------
! evaluate constitutive response
call Utilities_constitutiveResponse(params%timeinc,P_av,ForwardData)
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
ForwardData = .false.
!--------------------------------------------------------------------------------------------------
! integrating residual
do cell = cellStart, cellEnd-1 !< loop over all elements
call DMPlexVecGetClosure(dm_local,section,x_local,cell,x_scal,ierr) !< get Dofs belonging to element
CHKERRQ(ierr)
call DMPlexComputeCellGeometryAffineFEM(dm_local,cell,pV0,pCellJ,pInvcellJ,detJ,ierr)
CHKERRQ(ierr)
IcellJMat = reshape(pInvcellJ,shape=[dimPlex,dimPlex])
f_scal = 0.0
do qPt = 0, nQuadrature-1
BMat = 0.0
do basis = 0, nBasis-1
do comp = 0, dimPlex-1
cidx = basis*dimPlex+comp
BMat(comp*dimPlex+1:(comp+1)*dimPlex,basis*dimPlex+comp+1) = &
matmul(IcellJMat,basisFieldDer((qPt*nBasis*dimPlex+cidx )*dimPlex+1: &
(qPt*nBasis*dimPlex+cidx+1)*dimPlex ))
enddo
enddo
f_scal = f_scal + &
matmul(transpose(BMat), &
reshape(transpose(materialpoint_P(1:dimPlex,1:dimPlex,qPt+1,cell+1)), &
shape=[dimPlex*dimPlex]))*qWeights(qPt+1)
enddo
f_scal = f_scal*abs(detJ)
pf_scal => f_scal
call DMPlexVecSetClosure(dm_local,section,f_local,cell,pf_scal,ADD_VALUES,ierr)
CHKERRQ(ierr)
call DMPlexVecRestoreClosure(dm_local,section,x_local,cell,x_scal,ierr)
CHKERRQ(ierr)
enddo
call DMRestoreLocalVector(dm_local,x_local,ierr); CHKERRQ(ierr)
end subroutine FEM_mech_formResidual
!--------------------------------------------------------------------------------------------------
!> @brief forms the FEM stiffness matrix
!--------------------------------------------------------------------------------------------------
subroutine FEM_mech_formJacobian(dm_local,xx_local,Jac_pre,Jac,dummy,ierr)
use numerics, only: &
BBarStabilisation
use homogenization, only: &
materialpoint_dPdF, &
materialpoint_F
use math, only: &
math_inv33, &
math_identity2nd, &
math_det33
use FEM_utilities, only: &
utilities_projectBCValues
implicit none
DM :: dm_local
PetscDS :: prob
Vec :: x_local, xx_local
Mat :: Jac_pre, Jac
PetscSection :: section, gSection
PetscReal :: detJ, IcellJMat(dimPlex,dimPlex)
PetscReal, target :: v0(dimPlex), cellJ(dimPlex*dimPlex), &
invcellJ(dimPlex*dimPlex)
PetscReal, pointer :: pV0(:), pCellJ(:), pInvcellJ(:)
PetscReal, dimension(:), pointer :: basisField, basisFieldDer
PetscInt :: cellStart, cellEnd, cell, field, face, &
qPt, basis, comp, cidx
PetscScalar, target :: K_e (cellDof,cellDof), &
K_eA (cellDof,cellDof), &
K_eB (cellDof,cellDof), &
K_eVec(cellDof*cellDof)
PetscReal :: BMat (dimPlex*dimPlex,cellDof), &
BMatAvg(dimPlex*dimPlex,cellDof), &
MatA (dimPlex*dimPlex,cellDof), &
MatB (1 ,cellDof)
PetscScalar, dimension(:), pointer :: pK_e, x_scal
PetscReal, dimension(3,3) :: F = math_I3, FAvg, FInv
PetscObject :: dummy
PetscInt :: bcSize
IS :: bcPoints
PetscErrorCode :: ierr
pV0 => v0
pCellJ => cellJ
pInvcellJ => invcellJ
call MatSetOption(Jac,MAT_KEEP_NONZERO_PATTERN,PETSC_TRUE,ierr); CHKERRQ(ierr)
call MatSetOption(Jac,MAT_NEW_NONZERO_ALLOCATION_ERR,PETSC_FALSE,ierr); CHKERRQ(ierr)
call MatZeroEntries(Jac,ierr); CHKERRQ(ierr)
call DMGetDS(dm_local,prob,ierr); CHKERRQ(ierr)
call PetscDSGetTabulation(prob,0,basisField,basisFieldDer,ierr)
call DMGetDefaultSection(dm_local,section,ierr); CHKERRQ(ierr)
call DMGetDefaultGlobalSection(dm_local,gSection,ierr); CHKERRQ(ierr)
call DMGetLocalVector(dm_local,x_local,ierr); CHKERRQ(ierr)
call VecWAXPY(x_local,1.0,xx_local,solution_local,ierr); CHKERRQ(ierr)
do field = 1, dimPlex; do face = 1, mesh_Nboundaries
if (params%fieldBC%componentBC(field)%Mask(face)) then
call DMGetStratumSize(dm_local,'Face Sets',mesh_boundaries(face),bcSize,ierr)
if (bcSize > 0) then
call DMGetStratumIS(dm_local,'Face Sets',mesh_boundaries(face),bcPoints,ierr)
CHKERRQ(ierr)
call utilities_projectBCValues(x_local,section,0,field-1,bcPoints, &
0.0,params%fieldBC%componentBC(field)%Value(face),params%timeinc)
call ISDestroy(bcPoints,ierr); CHKERRQ(ierr)
endif
endif
enddo; enddo
call DMPlexGetHeightStratum(dm_local,0,cellStart,cellEnd,ierr); CHKERRQ(ierr)
do cell = cellStart, cellEnd-1 !< loop over all elements
call DMPlexVecGetClosure(dm_local,section,x_local,cell,x_scal,ierr) !< get Dofs belonging to element
CHKERRQ(ierr)
call DMPlexComputeCellGeometryAffineFEM(dm_local,cell,pV0,pCellJ,pInvcellJ,detJ,ierr)
CHKERRQ(ierr)
IcellJMat = reshape(pInvcellJ, shape = [dimPlex,dimPlex])
K_eA = 0.0
K_eB = 0.0
MatB = 0.0
FAvg = 0.0
BMatAvg = 0.0
do qPt = 0, nQuadrature-1
BMat = 0.0
do basis = 0, nBasis-1
do comp = 0, dimPlex-1
cidx = basis*dimPlex+comp
BMat(comp*dimPlex+1:(comp+1)*dimPlex,basis*dimPlex+comp+1) = &
matmul(IcellJMat,basisFieldDer((qPt*nBasis*dimPlex+cidx )*dimPlex+1: &
(qPt*nBasis*dimPlex+cidx+1)*dimPlex ))
enddo
enddo
MatA = matmul(reshape(reshape(materialpoint_dPdF(1:dimPlex,1:dimPlex,1:dimPlex,1:dimPlex,qPt+1,cell+1), &
shape=[dimPlex,dimPlex,dimPlex,dimPlex], order=[2,1,4,3]), &
shape=[dimPlex*dimPlex,dimPlex*dimPlex]),BMat)*qWeights(qPt+1)
if (BBarStabilisation) then
F(1:dimPlex,1:dimPlex) = reshape(matmul(BMat,x_scal),shape=[dimPlex,dimPlex])
FInv = math_inv33(F)
K_eA = K_eA + matmul(transpose(BMat),MatA)*math_det33(FInv)**(1.0/real(dimPlex))
K_eB = K_eB - &
matmul(transpose(matmul(reshape(materialpoint_F(1:dimPlex,1:dimPlex,qPt+1,cell+1), &
shape=[dimPlex*dimPlex,1]), &
matmul(reshape(FInv(1:dimPlex,1:dimPlex), &
shape=[1,dimPlex*dimPlex],order=[2,1]),BMat))),MatA)
MatB = MatB + &
matmul(reshape(materialpoint_F(1:dimPlex,1:dimPlex,qPt+1,cell+1),shape=[1,dimPlex*dimPlex]),MatA)
FAvg = FAvg + F
BMatAvg = BMatAvg + BMat
else
K_eA = K_eA + matmul(transpose(BMat),MatA)
endif
enddo
if (BBarStabilisation) then
FInv = math_inv33(FAvg)
K_e = K_eA*math_det33(FAvg/real(nQuadrature))**(1.0/real(dimPlex)) + &
(matmul(matmul(transpose(BMatAvg), &
reshape(FInv(1:dimPlex,1:dimPlex),shape=[dimPlex*dimPlex,1],order=[2,1])),MatB) + &
K_eB)/real(dimPlex)
else
K_e = K_eA
endif
K_e = K_e + eps*math_identity2nd(cellDof)
K_eVec = reshape(K_e, [cellDof*cellDof])*abs(detJ)
pK_e => K_eVec
call DMPlexMatSetClosure(dm_local,section,gSection,Jac,cell,pK_e,ADD_VALUES,ierr)
CHKERRQ(ierr)
call DMPlexVecRestoreClosure(dm_local,section,x_local,cell,x_scal,ierr)
CHKERRQ(ierr)
enddo
call MatAssemblyBegin(Jac,MAT_FINAL_ASSEMBLY,ierr); CHKERRQ(ierr)
call MatAssemblyEnd(Jac,MAT_FINAL_ASSEMBLY,ierr); CHKERRQ(ierr)
call MatAssemblyBegin(Jac_pre,MAT_FINAL_ASSEMBLY,ierr); CHKERRQ(ierr)
call MatAssemblyEnd(Jac_pre,MAT_FINAL_ASSEMBLY,ierr); CHKERRQ(ierr)
call DMRestoreLocalVector(dm_local,x_local,ierr); CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------
! apply boundary conditions
!call DMPlexCreateRigidBody(dm_local,matnull,ierr); CHKERRQ(ierr) MD: linker error
call MatSetNullSpace(Jac,matnull,ierr); CHKERRQ(ierr)
call MatSetNearNullSpace(Jac,matnull,ierr); CHKERRQ(ierr)
call MatNullSpaceDestroy(matnull,ierr); CHKERRQ(ierr)
end subroutine FEM_mech_formJacobian
!--------------------------------------------------------------------------------------------------
!> @brief forwarding routine
!--------------------------------------------------------------------------------------------------
subroutine FEM_mech_forward(guess,timeinc,timeinc_old,fieldBC)
use FEM_utilities, only: &
cutBack
use homogenization, only: &
materialpoint_F0, &
materialpoint_F
use FEM_utilities, only: &
utilities_projectBCValues
implicit none
type(tFieldBC), intent(in) :: &
fieldBC
real(pReal), intent(in) :: &
timeinc_old, &
timeinc
logical, intent(in) :: &
guess
PetscInt :: field, face
DM :: dm_local
Vec :: x_local
PetscSection :: section
PetscInt :: bcSize
IS :: bcPoints
PetscErrorCode :: ierr
!--------------------------------------------------------------------------------------------------
! forward last inc
if (guess .and. .not. cutBack) then
ForwardData = .True.
materialpoint_F0 = materialpoint_F
call SNESGetDM(mech_snes,dm_local,ierr); CHKERRQ(ierr) !< retrieve mesh info from mech_snes into dm_local
call DMGetDefaultSection(dm_local,section,ierr); CHKERRQ(ierr)
call DMGetLocalVector(dm_local,x_local,ierr); CHKERRQ(ierr)
call VecSet(x_local,0.0,ierr); CHKERRQ(ierr)
call DMGlobalToLocalBegin(dm_local,solution,INSERT_VALUES,x_local,ierr) !< retrieve my partition of global solution vector
CHKERRQ(ierr)
call DMGlobalToLocalEnd(dm_local,solution,INSERT_VALUES,x_local,ierr)
CHKERRQ(ierr)
call VecAXPY(solution_local,1.0,x_local,ierr); CHKERRQ(ierr)
do field = 1, dimPlex; do face = 1, mesh_Nboundaries
if (fieldBC%componentBC(field)%Mask(face)) then
call DMGetStratumSize(dm_local,'Face Sets',mesh_boundaries(face),bcSize,ierr)
if (bcSize > 0) then
call DMGetStratumIS(dm_local,'Face Sets',mesh_boundaries(face),bcPoints,ierr)
CHKERRQ(ierr)
call utilities_projectBCValues(solution_local,section,0,field-1,bcPoints, &
0.0,fieldBC%componentBC(field)%Value(face),timeinc_old)
call ISDestroy(bcPoints,ierr); CHKERRQ(ierr)
endif
endif
enddo; enddo
call DMRestoreLocalVector(dm_local,x_local,ierr); CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------
! update rate and forward last inc
call VecCopy(solution,solution_rate,ierr); CHKERRQ(ierr)
call VecScale(solution_rate,1.0/timeinc_old,ierr); CHKERRQ(ierr)
endif
call VecCopy(solution_rate,solution,ierr); CHKERRQ(ierr)
call VecScale(solution,timeinc,ierr); CHKERRQ(ierr)
end subroutine FEM_mech_forward
!--------------------------------------------------------------------------------------------------
!> @brief reporting
!--------------------------------------------------------------------------------------------------
subroutine FEM_mech_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
use numerics, only: &
err_struct_tolAbs, &
err_struct_tolRel
use IO, only: &
IO_intOut
use FEsolving, only: &
terminallyIll
implicit none
SNES :: snes_local
PetscInt :: PETScIter
PetscReal :: xnorm,snorm,fnorm,divTol
SNESConvergedReason :: reason
PetscObject :: dummy
PetscErrorCode :: ierr
!--------------------------------------------------------------------------------------------------
! report
divTol = max(maxval(abs(P_av(1:dimPlex,1:dimPlex)))*err_struct_tolRel,err_struct_tolAbs)
call SNESConvergedDefault(snes_local,PETScIter,xnorm,snorm,fnorm/divTol,reason,dummy,ierr)
CHKERRQ(ierr)
if (terminallyIll) reason = SNES_DIVERGED_FUNCTION_DOMAIN
if (worldrank == 0) then
write(6,'(1/,1x,a,a,i0,a,i0,f0.3)') trim(incInfo), &
' @ Iteration ',PETScIter,' mechanical residual norm = ', &
int(fnorm/divTol),fnorm/divTol-int(fnorm/divTol)
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',&
transpose(P_av)*1.e-6_pReal
flush(6)
endif
end subroutine FEM_mech_converged
!--------------------------------------------------------------------------------------------------
!> @brief destroy routine
!--------------------------------------------------------------------------------------------------
subroutine FEM_mech_destroy()
implicit none
PetscErrorCode :: ierr
call VecDestroy(solution,ierr); CHKERRQ(ierr)
call VecDestroy(solution_rate,ierr); CHKERRQ(ierr)
call SNESDestroy(mech_snes,ierr); CHKERRQ(ierr)
end subroutine FEM_mech_destroy
end module FEM_mech

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src/FEM_utilities.f90 Normal file
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@ -0,0 +1,751 @@
!--------------------------------------------------------------------------------------------------
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Utilities used by the FEM solver
!--------------------------------------------------------------------------------------------------
module FEM_utilities
#include <petsc/finclude/petsc.h>
use prec, only: pReal, pInt
use PETScdmda
use PETScis
implicit none
private
!--------------------------------------------------------------------------------------------------
!
logical, public :: cutBack = .false. !< cut back of BVP solver in case convergence is not achieved or a material point is terminally ill
integer(pInt), public, parameter :: maxFields = 6_pInt
integer(pInt), public :: nActiveFields = 0_pInt
!--------------------------------------------------------------------------------------------------
! grid related information information
real(pReal), public :: wgt !< weighting factor 1/Nelems
real(pReal), public :: wgtDof !< weighting factor 1/Nelems
real(pReal), public :: C_volAvg(3,3,3,3)
!--------------------------------------------------------------------------------------------------
! output data
PetscViewer, public :: resUnit
Vec, public :: coordinatesVec
Vec, allocatable, public :: homogenizationResultsVec(:), &
crystalliteResultsVec(:,:), &
phaseResultsVec(:,:)
!--------------------------------------------------------------------------------------------------
! field labels information
character(len=*), parameter, public :: &
FIELD_MECH_label = 'mechanical', &
FIELD_THERMAL_label = 'thermal', &
FIELD_DAMAGE_label = 'damage', &
FIELD_SOLUTE_label = 'solute', &
FIELD_MGTWIN_label = 'mgtwin'
enum, bind(c)
enumerator :: FIELD_UNDEFINED_ID, &
FIELD_MECH_ID, &
FIELD_THERMAL_ID, &
FIELD_DAMAGE_ID, &
FIELD_SOLUTE_ID, &
FIELD_MGTWIN_ID
end enum
enum, bind(c)
enumerator :: COMPONENT_UNDEFINED_ID, &
COMPONENT_MECH_X_ID, &
COMPONENT_MECH_Y_ID, &
COMPONENT_MECH_Z_ID, &
COMPONENT_THERMAL_T_ID, &
COMPONENT_DAMAGE_PHI_ID, &
COMPONENT_SOLUTE_CV_ID, &
COMPONENT_SOLUTE_CVPOT_ID, &
COMPONENT_SOLUTE_CH_ID, &
COMPONENT_SOLUTE_CHPOT_ID, &
COMPONENT_SOLUTE_CVaH_ID, &
COMPONENT_SOLUTE_CVaHPOT_ID, &
COMPONENT_MGTWIN_PHI_ID
end enum
!--------------------------------------------------------------------------------------------------
! variables controlling debugging
logical, private :: &
debugGeneral, & !< general debugging of FEM solver
debugRotation, & !< also printing out results in lab frame
debugPETSc !< use some in debug defined options for more verbose PETSc solution
!--------------------------------------------------------------------------------------------------
! derived types
type, public :: tSolutionState !< return type of solution from FEM solver variants
logical :: converged = .true.
logical :: stagConverged = .true.
logical :: regrid = .false.
integer(pInt) :: iterationsNeeded = 0_pInt
end type tSolutionState
type, public :: tComponentBC
integer(kind(COMPONENT_UNDEFINED_ID)) :: ID
real(pReal), allocatable :: Value(:)
logical, allocatable :: Mask(:)
end type tComponentBC
type, public :: tFieldBC
integer(kind(FIELD_UNDEFINED_ID)) :: ID
integer(pInt) :: nComponents = 0_pInt
type(tComponentBC), allocatable :: componentBC(:)
end type tFieldBC
type, public :: tLoadCase
real(pReal) :: time = 0.0_pReal !< length of increment
integer(pInt) :: incs = 0_pInt, & !< number of increments
outputfrequency = 1_pInt, & !< frequency of result writes
restartfrequency = 0_pInt, & !< frequency of restart writes
logscale = 0_pInt !< linear/logarithmic time inc flag
logical :: followFormerTrajectory = .true. !< follow trajectory of former loadcase
integer(pInt), allocatable :: faceID(:)
type(tFieldBC), allocatable :: fieldBC(:)
end type tLoadCase
type, public :: tFEMInterpolation
integer(pInt) :: n
real(pReal), dimension(:,:) , allocatable :: shapeFunc, shapeDerivReal, geomShapeDerivIso
real(pReal), dimension(:,:,:), allocatable :: shapeDerivIso
end type tFEMInterpolation
type, public :: tQuadrature
integer(pInt) :: n
real(pReal), dimension(:) , allocatable :: Weights
real(pReal), dimension(:,:), allocatable :: Points
end type tQuadrature
public :: &
utilities_init, &
utilities_constitutiveResponse, &
utilities_indexBoundaryDofs, &
utilities_projectBCValues, &
utilities_indexActiveSet, &
utilities_destroy, &
FIELD_MECH_ID, &
FIELD_THERMAL_ID, &
FIELD_DAMAGE_ID, &
FIELD_SOLUTE_ID, &
FIELD_MGTWIN_ID, &
COMPONENT_MECH_X_ID, &
COMPONENT_MECH_Y_ID, &
COMPONENT_MECH_Z_ID, &
COMPONENT_THERMAL_T_ID, &
COMPONENT_DAMAGE_PHI_ID, &
COMPONENT_SOLUTE_CV_ID, &
COMPONENT_SOLUTE_CVPOT_ID, &
COMPONENT_SOLUTE_CH_ID, &
COMPONENT_SOLUTE_CHPOT_ID, &
COMPONENT_SOLUTE_CVaH_ID, &
COMPONENT_SOLUTE_CVaHPOT_ID, &
COMPONENT_MGTWIN_PHI_ID
external :: &
PetscOptionsInsertString, &
PetscObjectSetName, &
DMPlexGetHeightStratum, &
DMGetLabelIdIS, &
DMPlexGetChart, &
DMPlexLabelComplete, &
PetscViewerHDF5Open, &
PetscViewerHDF5PushGroup, &
PetscViewerHDF5PopGroup, &
PetscViewerDestroy
contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates all neccessary fields, sets debug flags
!--------------------------------------------------------------------------------------------------
subroutine utilities_init()
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment)
use DAMASK_interface, only: &
getSolverJobName
use IO, only: &
IO_error, &
IO_warning, &
IO_timeStamp, &
IO_open_file
use numerics, only: &
integrationOrder, &
worldsize, &
worldrank, &
petsc_defaultOptions, &
petsc_options
use debug, only: &
debug_level, &
debug_SPECTRAL, &
debug_LEVELBASIC, &
debug_SPECTRALPETSC, &
debug_SPECTRALROTATION
use debug, only: &
PETSCDEBUG
use math ! must use the whole module for use of FFTW
use mesh, only: &
mesh_NcpElemsGlobal, &
mesh_maxNips, &
geomMesh
use material, only: &
material_homog
implicit none
character(len=1024) :: petsc_optionsPhysics, grainStr
integer(pInt) :: dimPlex
integer(pInt) :: headerID = 205_pInt
PetscInt, dimension(:), pointer :: points
PetscInt, allocatable :: nEntities(:), nOutputCells(:), nOutputNodes(:), mappingCells(:)
PetscInt :: cellStart, cellEnd, cell, ip, dim, ctr, qPt
PetscInt, allocatable :: connectivity(:,:)
Vec :: connectivityVec
PetscErrorCode :: ierr
write(6,'(/,a)') ' <<<+- DAMASK_FEM_utilities init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
!--------------------------------------------------------------------------------------------------
! set debugging parameters
debugGeneral = iand(debug_level(debug_SPECTRAL),debug_LEVELBASIC) /= 0
debugRotation = iand(debug_level(debug_SPECTRAL),debug_SPECTRALROTATION) /= 0
debugPETSc = iand(debug_level(debug_SPECTRAL),debug_SPECTRALPETSC) /= 0
if(debugPETSc) write(6,'(3(/,a),/)') &
' Initializing PETSc with debug options: ', &
trim(PETScDebug), &
' add more using the PETSc_Options keyword in numerics.config '
flush(6)
call PetscOptionsClear(PETSC_NULL_OPTIONS,ierr)
CHKERRQ(ierr)
if(debugPETSc) call PetscOptionsInsertString(PETSC_NULL_OPTIONS,trim(PETSCDEBUG),ierr)
CHKERRQ(ierr)
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,trim(petsc_defaultOptions),ierr)
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,trim(petsc_options),ierr)
CHKERRQ(ierr)
!write(petsc_optionsPhysics,'(a,i0)') '-mechFE_petscspace_order ' , structOrder
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,trim(petsc_optionsPhysics),ierr)
CHKERRQ(ierr)
wgt = 1.0/real(mesh_maxNips*mesh_NcpElemsGlobal,pReal)
call PetscViewerHDF5Open(PETSC_COMM_WORLD, trim(getSolverJobName())//'.h5', &
FILE_MODE_WRITE, resUnit, ierr); CHKERRQ(ierr)
call PetscViewerHDF5PushGroup(resUnit, '/', ierr); CHKERRQ(ierr)
call DMGetDimension(geomMesh,dimPlex,ierr); CHKERRQ(ierr)
allocate(nEntities(dimPlex+1), source=0)
allocate(nOutputNodes(worldsize), source = 0)
allocate(nOutputCells(worldsize), source = 0)
do dim = 0, dimPlex
call DMGetStratumSize(geomMesh,'depth',dim,nEntities(dim+1),ierr)
CHKERRQ(ierr)
enddo
select case (integrationOrder)
case(1_pInt)
nOutputNodes(worldrank+1) = nEntities(1)
case(2_pInt)
nOutputNodes(worldrank+1) = sum(nEntities)
case default
nOutputNodes(worldrank+1) = mesh_maxNips*nEntities(dimPlex+1)
end select
nOutputCells(worldrank+1) = count(material_homog > 0_pInt)
call MPI_Allreduce(MPI_IN_PLACE,nOutputNodes,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)
call MPI_Allreduce(MPI_IN_PLACE,nOutputCells,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)
if (worldrank == 0_pInt) then
open(unit=headerID, file=trim(getSolverJobName())//'.header', &
form='FORMATTED', status='REPLACE')
write(headerID, '(a,i0)') 'dimension : ', dimPlex
write(headerID, '(a,i0)') 'number of nodes : ', sum(nOutputNodes)
write(headerID, '(a,i0)') 'number of cells : ', sum(nOutputCells)
endif
allocate(connectivity(2**dimPlex,nOutputCells(worldrank+1)))
call DMPlexGetHeightStratum(geomMesh,0,cellStart,cellEnd,ierr)
CHKERRQ(ierr)
ctr = 0
select case (integrationOrder)
case(1_pInt)
do cell = cellStart, cellEnd-1 !< loop over all elements
call DMPlexGetTransitiveClosure(geomMesh,cell,PETSC_TRUE,points,ierr)
CHKERRQ(ierr)
if (dimPlex == 2) then
connectivity(:,ctr+1) = [points( 9), points(11), points(13), points(13)] - nEntities(dimPlex+1)
ctr = ctr + 1
else
connectivity(:,ctr+1) = [points(23), points(25), points(27), points(27), &
points(29), points(29), points(29), points(29)] - nEntities(dimPlex+1)
ctr = ctr + 1
endif
enddo
case(2_pInt)
do cell = cellStart, cellEnd-1 !< loop over all elements
call DMPlexGetTransitiveClosure(geomMesh,cell,PETSC_TRUE,points,ierr)
CHKERRQ(ierr)
if (dimPlex == 2) then
connectivity(:,ctr+1) = [points(9 ), points(3), points(1), points(7)]
connectivity(:,ctr+2) = [points(11), points(5), points(1), points(3)]
connectivity(:,ctr+3) = [points(13), points(7), points(1), points(5)]
ctr = ctr + 3
else
connectivity(:,ctr+1) = [points(23), points(11), points(3), points(15), points(17), points(5), points(1), points(7)]
connectivity(:,ctr+2) = [points(25), points(13), points(3), points(11), points(19), points(9), points(1), points(5)]
connectivity(:,ctr+3) = [points(27), points(15), points(3), points(13), points(21), points(7), points(1), points(9)]
connectivity(:,ctr+4) = [points(29), points(17), points(7), points(21), points(19), points(5), points(1), points(9)]
ctr = ctr + 4_pInt
endif
enddo
case default
do cell = cellStart, cellEnd-1; do ip = 0, mesh_maxNips-1
connectivity(:,ctr+1) = cell*mesh_maxNips + ip
ctr = ctr + 1
enddo; enddo
end select
connectivity = connectivity + sum(nOutputNodes(1:worldrank))
call VecCreateMPI(PETSC_COMM_WORLD,dimPlex*nOutputNodes(worldrank+1),dimPlex*sum(nOutputNodes), &
coordinatesVec,ierr);CHKERRQ(ierr)
call PetscObjectSetName(coordinatesVec, 'NodalCoordinates',ierr)
call VecSetFromOptions(coordinatesVec, ierr); CHKERRQ(ierr)
!allocate(mappingCells(worldsize), source = 0)
!do homog = 1, material_Nhomogenization
! mappingCells = 0_pInt; mappingCells(worldrank+1) = homogOutput(homog)%sizeIpCells
! call MPI_Allreduce(MPI_IN_PLACE,mappingCells,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)
! call VecCreateMPI(PETSC_COMM_WORLD,mappingCells(worldrank+1),sum(mappingCells), &
! homogenizationResultsVec(homog),ierr);CHKERRQ(ierr)
! if (sum(mappingCells) > 0) then
! call VecCreateMPI(PETSC_COMM_WORLD,mappingCells(worldrank+1)*2**dimPlex,sum(mappingCells)*2**dimPlex, &
! connectivityVec,ierr);CHKERRQ(ierr)
! call PetscObjectSetName(connectivityVec,'mapping_'//trim(homogenization_name(homog)),ierr)
! CHKERRQ(ierr)
! call VecGetArrayF90(connectivityVec,results,ierr); CHKERRQ(ierr)
! results = 0.0_pReal; ctr = 1_pInt
! do cell = cellStart, cellEnd-1; do qPt = 1, mesh_maxNips
! if (material_homog(qPt,cell+1) == homog) then
! results(ctr:ctr+2**dimPlex-1) = real(reshape(connectivity(1:2**dimPlex,mesh_maxNips*cell+qPt), &
! shape=[2**dimPlex]))
! ctr = ctr + 2**dimPlex
! endif
! enddo; enddo
! call VecRestoreArrayF90(connectivityVec, results, ierr); CHKERRQ(ierr)
! call VecAssemblyBegin(connectivityVec, ierr); CHKERRQ(ierr)
! call VecAssemblyEnd (connectivityVec, ierr); CHKERRQ(ierr)
! call VecView(connectivityVec, resUnit, ierr); CHKERRQ(ierr)
! call VecDestroy(connectivityVec, ierr); CHKERRQ(ierr)
! endif
!enddo
!do cryst = 1, material_Ncrystallite; do grain = 1, homogenization_maxNgrains
! mappingCells = 0_pInt
! mappingCells(worldrank+1) = crystalliteOutput(cryst,grain)%sizeIpCells
! call MPI_Allreduce(MPI_IN_PLACE,mappingCells,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)
! call VecCreateMPI(PETSC_COMM_WORLD,mappingCells(worldrank+1),sum(mappingCells), &
! crystalliteResultsVec(cryst,grain),ierr);CHKERRQ(ierr)
! if (sum(mappingCells) > 0) then
! call VecCreateMPI(PETSC_COMM_WORLD,mappingCells(worldrank+1)*2**dimPlex,sum(mappingCells)*2**dimPlex, &
! connectivityVec,ierr);CHKERRQ(ierr)
! write(grainStr,'(a,i0)') 'Grain',grain
! call PetscObjectSetName(connectivityVec,'mapping_'// &
! trim(crystallite_name(cryst))//'_'// &
! trim(grainStr),ierr)
! CHKERRQ(ierr)
! call VecGetArrayF90(connectivityVec, results, ierr); CHKERRQ(ierr)
! results = 0.0_pReal; ctr = 1_pInt
! do cell = cellStart, cellEnd-1; do qPt = 1, mesh_maxNips
! if (homogenization_Ngrains (mesh_element(3,cell+1)) >= grain .and. &
! microstructure_crystallite(mesh_element(4,cell+1)) == cryst) then
! results(ctr:ctr+2**dimPlex-1) = real(reshape(connectivity(1:2**dimPlex,mesh_maxNips*cell+qPt), &
! shape=[2**dimPlex]))
! ctr = ctr + 2**dimPlex
! endif
! enddo; enddo
! call VecRestoreArrayF90(connectivityVec, results, ierr); CHKERRQ(ierr)
! call VecAssemblyBegin(connectivityVec, ierr); CHKERRQ(ierr)
! call VecAssemblyEnd (connectivityVec, ierr); CHKERRQ(ierr)
! call VecView(connectivityVec, resUnit, ierr); CHKERRQ(ierr)
! call VecDestroy(connectivityVec, ierr); CHKERRQ(ierr)
! endif
!enddo; enddo
!do phase = 1, material_Nphase; do grain = 1, homogenization_maxNgrains
! mappingCells = 0_pInt
! mappingCells(worldrank+1) = phaseOutput(phase,grain)%sizeIpCells
! call MPI_Allreduce(MPI_IN_PLACE,mappingCells,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)
! call VecCreateMPI(PETSC_COMM_WORLD,mappingCells(worldrank+1),sum(mappingCells), &
! phaseResultsVec(phase,grain),ierr);CHKERRQ(ierr)
! if (sum(mappingCells) > 0) then
! call VecCreateMPI(PETSC_COMM_WORLD,mappingCells(worldrank+1)*2**dimPlex,sum(mappingCells)*2**dimPlex, &
! connectivityVec,ierr);CHKERRQ(ierr)
! write(grainStr,'(a,i0)') 'Grain',grain
! call PetscObjectSetName(connectivityVec,&
! 'mapping_'//trim(phase_name(phase))//'_'// &
! trim(grainStr),ierr)
! CHKERRQ(ierr)
! call VecGetArrayF90(connectivityVec, results, ierr)
! CHKERRQ(ierr)
! results = 0.0_pReal; ctr = 1_pInt
! do cell = cellStart, cellEnd-1; do qPt = 1, mesh_maxNips
! if (material_phase(grain,qPt,cell+1) == phase) then
! results(ctr:ctr+2**dimPlex-1) = real(reshape(connectivity(1:2**dimPlex,mesh_maxNips*cell+qPt), &
! shape=[2**dimPlex]))
! ctr = ctr + 2**dimPlex
! endif
! enddo; enddo
! call VecRestoreArrayF90(connectivityVec, results, ierr)
! CHKERRQ(ierr)
! call VecAssemblyBegin(connectivityVec, ierr);CHKERRQ(ierr)
! call VecAssemblyEnd (connectivityVec, ierr);CHKERRQ(ierr)
! call VecView(connectivityVec, resUnit, ierr);CHKERRQ(ierr)
! call VecDestroy(connectivityVec, ierr); CHKERRQ(ierr)
! endif
!enddo; enddo
!if (worldrank == 0_pInt) then
! do homog = 1, material_Nhomogenization
! call VecGetSize(homogenizationResultsVec(homog),mappingCells(1),ierr)
! CHKERRQ(ierr)
! if (mappingCells(1) > 0) &
! write(headerID, '(a,i0)') 'number of homog_'// &
! trim(homogenization_name(homog))//'_'// &
! 'cells : ', mappingCells(1)
! enddo
! do cryst = 1, material_Ncrystallite; do grain = 1, homogenization_maxNgrains
! call VecGetSize(crystalliteResultsVec(cryst,grain),mappingCells(1),ierr)
! CHKERRQ(ierr)
! write(grainStr,'(a,i0)') 'Grain',grain
! if (mappingCells(1) > 0) &
! write(headerID, '(a,i0)') 'number of cryst_'// &
! trim(crystallite_name(cryst))//'_'// &
! trim(grainStr)//'_'// &
! 'cells : ', mappingCells(1)
! enddo; enddo
! do phase = 1, material_Nphase; do grain = 1, homogenization_maxNgrains
! call VecGetSize(phaseResultsVec(phase,grain),mappingCells(1),ierr)
! CHKERRQ(ierr)
! write(grainStr,'(a,i0)') 'Grain',grain
! if (mappingCells(1) > 0) &
! write(headerID, '(a,i0)') 'number of phase_'// &
! trim(phase_name(phase))//'_'//trim(grainStr)//'_'// &
! 'cells : ', mappingCells(1)
! enddo; enddo
! close(headerID)
!endif
end subroutine utilities_init
!--------------------------------------------------------------------------------------------------
!> @brief calculates constitutive response
!--------------------------------------------------------------------------------------------------
subroutine utilities_constitutiveResponse(timeinc,P_av,forwardData)
use debug, only: &
debug_reset, &
debug_info
use numerics, only: &
worldrank
use math, only: &
math_transpose33, &
math_rotate_forward33, &
math_det33
use FEsolving, only: &
restartWrite
use homogenization, only: &
materialpoint_F0, &
materialpoint_F, &
materialpoint_P, &
materialpoint_dPdF, &
materialpoint_stressAndItsTangent
use mesh, only: &
mesh_NcpElems
implicit none
real(pReal), intent(in) :: timeinc !< loading time
logical, intent(in) :: forwardData !< age results
real(pReal),intent(out), dimension(3,3) :: P_av !< average PK stress
logical :: &
age
integer(pInt) :: &
j
real(pReal) :: defgradDetMin, defgradDetMax, defgradDet
PetscErrorCode :: ierr
write(6,'(/,a)') ' ... evaluating constitutive response ......................................'
age = .False.
if (forwardData) then ! aging results
age = .True.
endif
if (cutBack) then ! restore saved variables
age = .False.
endif
call debug_reset()
!--------------------------------------------------------------------------------------------------
! calculate bounds of det(F) and report
if(debugGeneral) then
defgradDetMax = -huge(1.0_pReal)
defgradDetMin = +huge(1.0_pReal)
do j = 1_pInt, mesh_NcpElems
defgradDet = math_det33(materialpoint_F(1:3,1:3,1,j))
defgradDetMax = max(defgradDetMax,defgradDet)
defgradDetMin = min(defgradDetMin,defgradDet)
end do
write(6,'(a,1x,es11.4)') ' max determinant of deformation =', defgradDetMax
write(6,'(a,1x,es11.4)') ' min determinant of deformation =', defgradDetMin
flush(6)
endif
call materialpoint_stressAndItsTangent(.true.,timeinc) ! calculate P field
call debug_info()
restartWrite = .false. ! reset restartWrite status
cutBack = .false. ! reset cutBack status
P_av = sum(sum(materialpoint_P,dim=4),dim=3) * wgt ! average of P
C_volAvg = sum(sum(materialpoint_dPdF,dim=6),dim=5) * wgt
call MPI_Allreduce(MPI_IN_PLACE,P_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
call MPI_Allreduce(MPI_IN_PLACE,C_volAvg,81,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD, ierr)
end subroutine utilities_constitutiveResponse
!--------------------------------------------------------------------------------------------------
!> @brief Create index sets of boundary dofs (in local and global numbering)
!--------------------------------------------------------------------------------------------------
subroutine utilities_indexBoundaryDofs(dm_local,nFaceSets,numFields,local2global,section,localIS,globalIS)
implicit none
DM :: dm_local
ISLocalToGlobalMapping :: local2global
PetscSection :: section
PetscInt :: nFaceSets, numFields, nDof
IS, dimension(nFaceSets,numFields) :: localIS, globalIS
PetscInt :: field, faceSet, point, dof, offset
PetscInt :: localSize, storageSize, ISSize
PetscInt, dimension(:) , allocatable :: localIndices
IS :: faceSetIS, BC_IS, dummyIS
PetscInt, dimension(:) , pointer :: pFaceSets, pBCvertex, pBCvertexlc
DMLabel :: BCLabel
PetscErrorCode :: ierr
call DMGetLabel(dm_local,'Face Sets',BCLabel,ierr); CHKERRQ(ierr)
call DMPlexLabelComplete(dm_local,BCLabel,ierr); CHKERRQ(ierr)
call PetscSectionGetStorageSize(section,storageSize,ierr); CHKERRQ(ierr)
call DMGetLabelIdIS(dm_local,'Face Sets',faceSetIS,ierr); CHKERRQ(ierr)
call ISGetIndicesF90(faceSetIS,pFaceSets,ierr); CHKERRQ(ierr)
allocate(localIndices (storageSize))
do faceSet = 1, nFaceSets
call DMGetStratumSize(dm_local,'Face Sets',pFaceSets(faceSet),ISSize,ierr)
CHKERRQ(ierr)
call DMGetStratumIS(dm_local,'Face Sets',pFaceSets(faceSet),BC_IS,ierr)
CHKERRQ(ierr)
if (ISSize > 0) call ISGetIndicesF90(BC_IS,pBCvertex,ierr)
do field = 1, numFields
localSize = 0
do point = 1, ISSize
call PetscSectionGetFieldDof(section,pBCvertex(point),field-1,nDof,ierr)
CHKERRQ(ierr)
call PetscSectionGetFieldOffset(section,pBCvertex(point),field-1,offset,ierr)
CHKERRQ(ierr)
do dof = 1, nDof
localSize = localSize + 1
localIndices(localSize) = offset + dof - 1
enddo
enddo
call ISCreateGeneral(PETSC_COMM_SELF,localSize,localIndices,PETSC_COPY_VALUES, &
localIS(faceSet,field),ierr)
CHKERRQ(ierr)
call ISLocalToGlobalMappingApplyIS(local2global,localIS(faceSet,field), &
globalIS(faceSet,field),ierr)
CHKERRQ(ierr)
enddo
if (ISSize > 0) call ISRestoreIndicesF90(BC_IS,pBCvertex,ierr)
call ISDestroy(BC_IS,ierr); CHKERRQ(ierr)
enddo
call ISRestoreIndicesF90(faceSetIS,pFaceSets,ierr); CHKERRQ(ierr)
call ISDestroy(faceSetIS,ierr); CHKERRQ(ierr)
do faceSet = 1, nFaceSets; do field = 1, numFields
call ISGetSize(globalIS(faceSet,field),ISSize,ierr); CHKERRQ(ierr)
if (ISSize > 0) then
call ISGetIndicesF90(localIS(faceSet,field),pBCvertexlc,ierr); CHKERRQ(ierr)
call ISGetIndicesF90(globalIS(faceSet,field),pBCvertex,ierr); CHKERRQ(ierr)
endif
localSize = 0
do point = 1, ISSize
if (pBCvertex(point) >= 0) then
localSize = localSize + 1
localIndices(localSize) = pBCvertexlc(point)
endif
enddo
if (ISSize > 0) then
call ISRestoreIndicesF90(localIS(faceSet,field),pBCvertexlc,ierr); CHKERRQ(ierr)
call ISRestoreIndicesF90(globalIS(faceSet,field),pBCvertex,ierr); CHKERRQ(ierr)
endif
call ISDestroy(globalIS(faceSet,field),ierr); CHKERRQ(ierr)
call ISCreateGeneral(PETSC_COMM_SELF,localSize,localIndices,PETSC_COPY_VALUES, &
globalIS(faceSet,field),ierr)
CHKERRQ(ierr)
if (ISSize > 0) then
call ISDuplicate(localIS(faceSet,field),dummyIS,ierr); CHKERRQ(ierr)
call ISDestroy(localIS(faceSet,field),ierr); CHKERRQ(ierr)
call ISDifference(dummyIS,globalIS(faceSet,field),localIS(faceSet,field),ierr)
CHKERRQ(ierr)
call ISDestroy(dummyIS,ierr); CHKERRQ(ierr)
endif
enddo; enddo
deallocate(localIndices)
end subroutine utilities_indexBoundaryDofs
!--------------------------------------------------------------------------------------------------
!> @brief Project BC values to local vector
!--------------------------------------------------------------------------------------------------
subroutine utilities_projectBCValues(localVec,section,field,comp,bcPointsIS,BCValue,BCDotValue,timeinc)
implicit none
Vec :: localVec
PetscInt :: field, comp, nBcPoints, point, dof, numDof, numComp, offset
PetscSection :: section
IS :: bcPointsIS
PetscInt, pointer :: bcPoints(:)
PetscScalar, pointer :: localArray(:)
PetscScalar :: BCValue,BCDotValue,timeinc
PetscErrorCode :: ierr
call PetscSectionGetFieldComponents(section,field,numComp,ierr); CHKERRQ(ierr)
call ISGetSize(bcPointsIS,nBcPoints,ierr); CHKERRQ(ierr)
if (nBcPoints > 0) call ISGetIndicesF90(bcPointsIS,bcPoints,ierr)
call VecGetArrayF90(localVec,localArray,ierr); CHKERRQ(ierr)
do point = 1, nBcPoints
call PetscSectionGetFieldDof(section,bcPoints(point),field,numDof,ierr)
CHKERRQ(ierr)
call PetscSectionGetFieldOffset(section,bcPoints(point),field,offset,ierr)
CHKERRQ(ierr)
do dof = offset+comp+1, offset+numDof, numComp
localArray(dof) = localArray(dof) + BCValue + BCDotValue*timeinc
enddo
enddo
call VecRestoreArrayF90(localVec,localArray,ierr); CHKERRQ(ierr)
call VecAssemblyBegin(localVec, ierr); CHKERRQ(ierr)
call VecAssemblyEnd (localVec, ierr); CHKERRQ(ierr)
if (nBcPoints > 0) call ISRestoreIndicesF90(bcPointsIS,bcPoints,ierr)
end subroutine utilities_projectBCValues
!--------------------------------------------------------------------------------------------------
!> @brief Create index sets of boundary dofs (in local and global numbering)
!--------------------------------------------------------------------------------------------------
subroutine utilities_indexActiveSet(field,section,x_local,f_local,localIS,globalIS)
use mesh, only: &
geomMesh
implicit none
ISLocalToGlobalMapping :: local2global
PetscSection :: section
Vec :: x_local, f_local
PetscInt :: field
IS :: localIS, globalIS, dummyIS
PetscScalar, dimension(:) , pointer :: x_scal, f_scal
PetscInt :: ISSize
PetscInt :: chart, chartStart, chartEnd, nDof, dof, offset
PetscInt :: localSize
PetscInt, dimension(:) , allocatable :: localIndices
PetscInt, dimension(:) , pointer :: pBCvertex, pBCvertexlc
PetscErrorCode :: ierr
call DMGetLocalToGlobalMapping(geomMesh,local2global,ierr)
CHKERRQ(ierr)
call DMPlexGetChart(geomMesh,chartStart,chartEnd,ierr)
CHKERRQ(ierr)
call VecGetArrayF90(x_local,x_scal,ierr); CHKERRQ(ierr)
call VecGetArrayF90(f_local,f_scal,ierr); CHKERRQ(ierr)
localSize = 0
do chart = chartStart, chartEnd-1
call PetscSectionGetFieldDof(section,chart,field-1,nDof,ierr); CHKERRQ(ierr)
call PetscSectionGetFieldOffset(section,chart,field-1,offset,ierr); CHKERRQ(ierr)
do dof = offset+1, offset+nDof
if (((x_scal(dof) < 1.0e-8) .and. (f_scal(dof) > 0.0)) .or. &
((x_scal(dof) > 1.0 - 1.0e-8) .and. (f_scal(dof) < 0.0))) localSize = localSize + 1
enddo
enddo
allocate(localIndices(localSize))
localSize = 0
do chart = chartStart, chartEnd-1
call PetscSectionGetFieldDof(section,chart,field-1,nDof,ierr); CHKERRQ(ierr)
call PetscSectionGetFieldOffset(section,chart,field-1,offset,ierr); CHKERRQ(ierr)
do dof = offset+1, offset+nDof
if (((x_scal(dof) < 1.0e-8) .and. (f_scal(dof) > 0.0)) .or. &
((x_scal(dof) > 1.0 - 1.0e-8) .and. (f_scal(dof) < 0.0))) then
localSize = localSize + 1
localIndices(localSize) = dof-1
endif
enddo
enddo
call VecRestoreArrayF90(x_local,x_scal,ierr); CHKERRQ(ierr)
call VecRestoreArrayF90(f_local,f_scal,ierr); CHKERRQ(ierr)
call ISCreateGeneral(PETSC_COMM_SELF,localSize,localIndices,PETSC_COPY_VALUES,localIS,ierr)
CHKERRQ(ierr)
call ISLocalToGlobalMappingApplyIS(local2global,localIS,globalIS,ierr)
CHKERRQ(ierr)
call ISGetSize(globalIS,ISSize,ierr); CHKERRQ(ierr)
if (ISSize > 0) then
call ISGetIndicesF90(localIS,pBCvertexlc,ierr); CHKERRQ(ierr)
call ISGetIndicesF90(globalIS,pBCvertex,ierr); CHKERRQ(ierr)
endif
localSize = 0
do chart = 1, ISSize
if (pBCvertex(chart) >= 0) then
localSize = localSize + 1
localIndices(localSize) = pBCvertexlc(chart)
endif
enddo
if (ISSize > 0) then
call ISRestoreIndicesF90(localIS,pBCvertexlc,ierr); CHKERRQ(ierr)
call ISRestoreIndicesF90(globalIS,pBCvertex,ierr); CHKERRQ(ierr)
endif
call ISDestroy(globalIS,ierr); CHKERRQ(ierr)
call ISCreateGeneral(PETSC_COMM_SELF,localSize,localIndices,PETSC_COPY_VALUES,globalIS,ierr)
CHKERRQ(ierr)
if (ISSize > 0) then
call ISDuplicate(localIS,dummyIS,ierr); CHKERRQ(ierr)
call ISDestroy(localIS,ierr); CHKERRQ(ierr)
call ISDifference(dummyIS,globalIS,localIS,ierr)
CHKERRQ(ierr)
call ISDestroy(dummyIS,ierr); CHKERRQ(ierr)
endif
deallocate(localIndices)
end subroutine utilities_indexActiveSet
!--------------------------------------------------------------------------------------------------
!> @brief cleans up
!--------------------------------------------------------------------------------------------------
subroutine utilities_destroy()
!use material, only: &
! homogenization_Ngrains
!implicit none
!PetscInt :: homog, cryst, grain, phase
!PetscErrorCode :: ierr
!call PetscViewerHDF5PopGroup(resUnit, ierr); CHKERRQ(ierr)
!call VecDestroy(coordinatesVec,ierr); CHKERRQ(ierr)
!do homog = 1, material_Nhomogenization
! call VecDestroy(homogenizationResultsVec(homog),ierr);CHKERRQ(ierr)
! do cryst = 1, material_Ncrystallite; do grain = 1, homogenization_Ngrains(homog)
! call VecDestroy(crystalliteResultsVec(cryst,grain),ierr);CHKERRQ(ierr)
! enddo; enddo
! do phase = 1, material_Nphase; do grain = 1, homogenization_Ngrains(homog)
! call VecDestroy(phaseResultsVec(phase,grain),ierr);CHKERRQ(ierr)
! enddo; enddo
!enddo
!call PetscViewerDestroy(resUnit, ierr); CHKERRQ(ierr)
end subroutine utilities_destroy
end module FEM_utilities

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!--------------------------------------------------------------------------------------------------
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Interpolation data used by the FEM solver
!--------------------------------------------------------------------------------------------------
module FEM_Zoo
use prec, only: pReal, pInt, group_float
implicit none
private
integer(pInt), parameter, public:: &
maxOrder = 5 !< current max interpolation set at cubic (intended to be arbitrary)
real(pReal), dimension(2,3), private, protected :: &
triangle = reshape([-1.0_pReal, -1.0_pReal, &
1.0_pReal, -1.0_pReal, &
-1.0_pReal, 1.0_pReal], shape=[2,3])
real(pReal), dimension(3,4), private, protected :: &
tetrahedron = reshape([-1.0_pReal, -1.0_pReal, -1.0_pReal, &
1.0_pReal, -1.0_pReal, -1.0_pReal, &
-1.0_pReal, 1.0_pReal, -1.0_pReal, &
-1.0_pReal, -1.0_pReal, 1.0_pReal], shape=[3,4])
integer(pInt), dimension(3,maxOrder), public, protected :: &
FEM_Zoo_nQuadrature !< number of quadrature points for a given spatial dimension(1-3) and interpolation order(1-maxOrder)
type(group_float), dimension(3,maxOrder), public, protected :: &
FEM_Zoo_QuadratureWeights, & !< quadrature weights for each quadrature rule
FEM_Zoo_QuadraturePoints !< quadrature point coordinates (in simplical system) for each quadrature rule
public :: &
FEM_Zoo_init
contains
!--------------------------------------------------------------------------------------------------
!> @brief initializes FEM interpolation data
!--------------------------------------------------------------------------------------------------
subroutine FEM_Zoo_init
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: &
IO_timeStamp
implicit none
write(6,'(/,a)') ' <<<+- FEM_Zoo init -+>>>'
write(6,'(a)') ' $Id: FEM_Zoo.f90 4354 2015-08-04 15:04:53Z MPIE\p.shanthraj $'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
!--------------------------------------------------------------------------------------------------
! 2D linear
FEM_Zoo_nQuadrature(2,1) = 1
allocate(FEM_Zoo_QuadratureWeights(2,1)%p(1))
allocate(FEM_Zoo_QuadraturePoints (2,1)%p(2))
FEM_Zoo_QuadratureWeights(2,1)%p(1) = 1.0_pReal
call FEM_Zoo_permutationStar3([1.0_pReal/3.0_pReal], &
FEM_Zoo_QuadraturePoints(2,1)%p(1:2))
!--------------------------------------------------------------------------------------------------
! 2D quadratic
FEM_Zoo_nQuadrature(2,2) = 3
allocate(FEM_Zoo_QuadratureWeights(2,2)%p(3))
allocate(FEM_Zoo_QuadraturePoints (2,2)%p(6))
FEM_Zoo_QuadratureWeights(2,2)%p(1:3) = 1.0_pReal/3.0_pReal
call FEM_Zoo_permutationStar21([1.0_pReal/6.0_pReal], &
FEM_Zoo_QuadraturePoints(2,2)%p(1:6))
!--------------------------------------------------------------------------------------------------
! 2D cubic
FEM_Zoo_nQuadrature(2,3) = 6
allocate(FEM_Zoo_QuadratureWeights(2,3)%p(6 ))
allocate(FEM_Zoo_QuadraturePoints (2,3)%p(12))
FEM_Zoo_QuadratureWeights(2,3)%p(1:3) = 0.22338158967801146570_pReal
call FEM_Zoo_permutationStar21([0.44594849091596488632_pReal], &
FEM_Zoo_QuadraturePoints(2,3)%p(1:6))
FEM_Zoo_QuadratureWeights(2,3)%p(4:6) = 0.10995174365532186764_pReal
call FEM_Zoo_permutationStar21([0.091576213509770743460_pReal], &
FEM_Zoo_QuadraturePoints(2,3)%p(7:12))
!--------------------------------------------------------------------------------------------------
! 2D quartic
FEM_Zoo_nQuadrature(2,4) = 12
allocate(FEM_Zoo_QuadratureWeights(2,4)%p(12))
allocate(FEM_Zoo_QuadraturePoints (2,4)%p(24))
FEM_Zoo_QuadratureWeights(2,4)%p(1:3) = 0.11678627572638_pReal
call FEM_Zoo_permutationStar21([0.24928674517091_pReal], &
FEM_Zoo_QuadraturePoints(2,4)%p(1:6))
FEM_Zoo_QuadratureWeights(2,4)%p(4:6) = 0.05084490637021_pReal
call FEM_Zoo_permutationStar21([0.06308901449150_pReal], &
FEM_Zoo_QuadraturePoints(2,4)%p(7:12))
FEM_Zoo_QuadratureWeights(2,4)%p(7:12) = 0.08285107561837_pReal
call FEM_Zoo_permutationStar111([0.31035245103378_pReal, 0.63650249912140_pReal], &
FEM_Zoo_QuadraturePoints(2,4)%p(13:24))
!--------------------------------------------------------------------------------------------------
! 2D order 5
FEM_Zoo_nQuadrature(2,5) = 16
allocate(FEM_Zoo_QuadratureWeights(2,5)%p(16))
allocate(FEM_Zoo_QuadraturePoints (2,5)%p(32))
FEM_Zoo_QuadratureWeights(2,5)%p(1 ) = 0.14431560767779_pReal
call FEM_Zoo_permutationStar3([0.33333333333333_pReal], &
FEM_Zoo_QuadraturePoints(2,5)%p(1:2))
FEM_Zoo_QuadratureWeights(2,5)%p(2:4) = 0.09509163426728_pReal
call FEM_Zoo_permutationStar21([0.45929258829272_pReal], &
FEM_Zoo_QuadraturePoints(2,5)%p(3:8))
FEM_Zoo_QuadratureWeights(2,5)%p(5:7) = 0.10321737053472_pReal
call FEM_Zoo_permutationStar21([0.17056930775176_pReal], &
FEM_Zoo_QuadraturePoints(2,5)%p(9:14))
FEM_Zoo_QuadratureWeights(2,5)%p(8:10) = 0.03245849762320_pReal
call FEM_Zoo_permutationStar21([0.05054722831703_pReal], &
FEM_Zoo_QuadraturePoints(2,5)%p(15:20))
FEM_Zoo_QuadratureWeights(2,5)%p(11:16) = 0.02723031417443_pReal
call FEM_Zoo_permutationStar111([0.26311282963464_pReal, 0.72849239295540_pReal], &
FEM_Zoo_QuadraturePoints(2,5)%p(21:32))
!--------------------------------------------------------------------------------------------------
! 3D linear
FEM_Zoo_nQuadrature(3,1) = 1
allocate(FEM_Zoo_QuadratureWeights(3,1)%p(1))
allocate(FEM_Zoo_QuadraturePoints (3,1)%p(3))
FEM_Zoo_QuadratureWeights(3,1)%p(1) = 1.0_pReal
call FEM_Zoo_permutationStar4([0.25_pReal], &
FEM_Zoo_QuadraturePoints(3,1)%p(1:3))
!--------------------------------------------------------------------------------------------------
! 3D quadratic
FEM_Zoo_nQuadrature(3,2) = 4
allocate(FEM_Zoo_QuadratureWeights(3,2)%p(4 ))
allocate(FEM_Zoo_QuadraturePoints (3,2)%p(12))
FEM_Zoo_QuadratureWeights(3,2)%p(1:4) = 0.25_pReal
call FEM_Zoo_permutationStar31([0.13819660112501051518_pReal], &
FEM_Zoo_QuadraturePoints(3,2)%p(1:12))
!--------------------------------------------------------------------------------------------------
! 3D cubic
FEM_Zoo_nQuadrature(3,3) = 14
allocate(FEM_Zoo_QuadratureWeights(3,3)%p(14))
allocate(FEM_Zoo_QuadraturePoints (3,3)%p(42))
FEM_Zoo_QuadratureWeights(3,3)%p(1:4) = 0.073493043116361949544_pReal
call FEM_Zoo_permutationStar31([0.092735250310891226402_pReal], &
FEM_Zoo_QuadraturePoints(3,3)%p(1:12))
FEM_Zoo_QuadratureWeights(3,3)%p(5:8) = 0.11268792571801585080_pReal
call FEM_Zoo_permutationStar31([0.31088591926330060980_pReal], &
FEM_Zoo_QuadraturePoints(3,3)%p(13:24))
FEM_Zoo_QuadratureWeights(3,3)%p(9:14) = 0.042546020777081466438_pReal
call FEM_Zoo_permutationStar22([0.045503704125649649492_pReal], &
FEM_Zoo_QuadraturePoints(3,3)%p(25:42))
!--------------------------------------------------------------------------------------------------
! 3D quartic
FEM_Zoo_nQuadrature(3,4) = 35
allocate(FEM_Zoo_QuadratureWeights(3,4)%p(35))
allocate(FEM_Zoo_QuadraturePoints (3,4)%p(105))
FEM_Zoo_QuadratureWeights(3,4)%p(1:4) = 0.0021900463965388_pReal
call FEM_Zoo_permutationStar31([0.0267367755543735_pReal], &
FEM_Zoo_QuadraturePoints(3,4)%p(1:12))
FEM_Zoo_QuadratureWeights(3,4)%p(5:16) = 0.0143395670177665_pReal
call FEM_Zoo_permutationStar211([0.0391022406356488_pReal, 0.7477598884818090_pReal], &
FEM_Zoo_QuadraturePoints(3,4)%p(13:48))
FEM_Zoo_QuadratureWeights(3,4)%p(17:22) = 0.0250305395686746_pReal
call FEM_Zoo_permutationStar22([0.4547545999844830_pReal], &
FEM_Zoo_QuadraturePoints(3,4)%p(49:66))
FEM_Zoo_QuadratureWeights(3,4)%p(23:34) = 0.0479839333057554_pReal
call FEM_Zoo_permutationStar211([0.2232010379623150_pReal, 0.0504792790607720_pReal], &
FEM_Zoo_QuadraturePoints(3,4)%p(67:102))
FEM_Zoo_QuadratureWeights(3,4)%p(35) = 0.0931745731195340_pReal
call FEM_Zoo_permutationStar4([0.25_pReal], &
FEM_Zoo_QuadraturePoints(3,4)%p(103:105))
!--------------------------------------------------------------------------------------------------
! 3D quintic
FEM_Zoo_nQuadrature(3,5) = 56
allocate(FEM_Zoo_QuadratureWeights(3,5)%p(56))
allocate(FEM_Zoo_QuadraturePoints (3,5)%p(168))
FEM_Zoo_QuadratureWeights(3,5)%p(1:4) = 0.0010373112336140_pReal
call FEM_Zoo_permutationStar31([0.0149520651530592_pReal], &
FEM_Zoo_QuadraturePoints(3,5)%p(1:12))
FEM_Zoo_QuadratureWeights(3,5)%p(5:16) = 0.0096016645399480_pReal
call FEM_Zoo_permutationStar211([0.0340960211962615_pReal, 0.1518319491659370_pReal], &
FEM_Zoo_QuadraturePoints(3,5)%p(13:48))
FEM_Zoo_QuadratureWeights(3,5)%p(17:28) = 0.0164493976798232_pReal
call FEM_Zoo_permutationStar211([0.0462051504150017_pReal, 0.3549340560639790_pReal], &
FEM_Zoo_QuadraturePoints(3,5)%p(49:84))
FEM_Zoo_QuadratureWeights(3,5)%p(29:40) = 0.0153747766513310_pReal
call FEM_Zoo_permutationStar211([0.2281904610687610_pReal, 0.0055147549744775_pReal], &
FEM_Zoo_QuadraturePoints(3,5)%p(85:120))
FEM_Zoo_QuadratureWeights(3,5)%p(41:52) = 0.0293520118375230_pReal
call FEM_Zoo_permutationStar211([0.3523052600879940_pReal, 0.0992057202494530_pReal], &
FEM_Zoo_QuadraturePoints(3,5)%p(121:156))
FEM_Zoo_QuadratureWeights(3,5)%p(53:56) = 0.0366291366405108_pReal
call FEM_Zoo_permutationStar31([0.1344783347929940_pReal], &
FEM_Zoo_QuadraturePoints(3,5)%p(157:168))
end subroutine FEM_Zoo_init
!--------------------------------------------------------------------------------------------------
!> @brief star 3 permutation of input
!--------------------------------------------------------------------------------------------------
subroutine FEM_Zoo_permutationStar3(point,qPt)
implicit none
real(pReal) :: point(1), qPt(2,1), temp(3,1)
temp(:,1) = [point(1), point(1), point(1)]
qPt = matmul(triangle, temp)
end subroutine FEM_Zoo_permutationStar3
!--------------------------------------------------------------------------------------------------
!> @brief star 21 permutation of input
!--------------------------------------------------------------------------------------------------
subroutine FEM_Zoo_permutationStar21(point,qPt)
implicit none
real(pReal) :: point(1), qPt(2,3), temp(3,3)
temp(:,1) = [point(1), point(1), 1.0_pReal - 2.0_pReal*point(1)]
temp(:,2) = [point(1), 1.0_pReal - 2.0_pReal*point(1), point(1)]
temp(:,3) = [1.0_pReal - 2.0_pReal*point(1), point(1), point(1)]
qPt = matmul(triangle, temp)
end subroutine FEM_Zoo_permutationStar21
!--------------------------------------------------------------------------------------------------
!> @brief star 111 permutation of input
!--------------------------------------------------------------------------------------------------
subroutine FEM_Zoo_permutationStar111(point,qPt)
implicit none
real(pReal) :: point(2), qPt(2,6), temp(3,6)
temp(:,1) = [point(1), point(2), 1.0_pReal - point(1) - point(2)]
temp(:,2) = [point(1), 1.0_pReal - point(1) - point(2), point(2)]
temp(:,4) = [point(2), 1.0_pReal - point(1) - point(2), point(1)]
temp(:,5) = [1.0_pReal - point(1) - point(2), point(2), point(1)]
temp(:,6) = [1.0_pReal - point(1) - point(2), point(1), point(2)]
qPt = matmul(triangle, temp)
end subroutine FEM_Zoo_permutationStar111
!--------------------------------------------------------------------------------------------------
!> @brief star 4 permutation of input
!--------------------------------------------------------------------------------------------------
subroutine FEM_Zoo_permutationStar4(point,qPt)
implicit none
real(pReal) :: point(1), qPt(3,1), temp(4,1)
temp(:,1) = [point(1), point(1), point(1), point(1)]
qPt = matmul(tetrahedron, temp)
end subroutine FEM_Zoo_permutationStar4
!--------------------------------------------------------------------------------------------------
!> @brief star 31 permutation of input
!--------------------------------------------------------------------------------------------------
subroutine FEM_Zoo_permutationStar31(point,qPt)
implicit none
real(pReal) :: point(1), qPt(3,4), temp(4,4)
temp(:,1) = [point(1), point(1), point(1), 1.0_pReal - 3.0_pReal*point(1)]
temp(:,2) = [point(1), point(1), 1.0_pReal - 3.0_pReal*point(1), point(1)]
temp(:,3) = [point(1), 1.0_pReal - 3.0_pReal*point(1), point(1), point(1)]
temp(:,4) = [1.0_pReal - 3.0_pReal*point(1), point(1), point(1), point(1)]
qPt = matmul(tetrahedron, temp)
end subroutine FEM_Zoo_permutationStar31
!--------------------------------------------------------------------------------------------------
!> @brief star 22 permutation of input
!--------------------------------------------------------------------------------------------------
subroutine FEM_Zoo_permutationStar22(point,qPt)
implicit none
real(pReal) :: point(1), qPt(3,6), temp(4,6)
temp(:,1) = [point(1), point(1), 0.5_pReal - point(1), 0.5_pReal - point(1)]
temp(:,2) = [point(1), 0.5_pReal - point(1), point(1), 0.5_pReal - point(1)]
temp(:,3) = [0.5_pReal - point(1), point(1), point(1), 0.5_pReal - point(1)]
temp(:,4) = [0.5_pReal - point(1), point(1), 0.5_pReal - point(1), point(1)]
temp(:,5) = [0.5_pReal - point(1), 0.5_pReal - point(1), point(1), point(1)]
temp(:,6) = [point(1), 0.5_pReal - point(1), 0.5_pReal - point(1), point(1)]
qPt = matmul(tetrahedron, temp)
end subroutine FEM_Zoo_permutationStar22
!--------------------------------------------------------------------------------------------------
!> @brief star 211 permutation of input
!--------------------------------------------------------------------------------------------------
subroutine FEM_Zoo_permutationStar211(point,qPt)
implicit none
real(pReal) :: point(2), qPt(3,12), temp(4,12)
temp(:,1 ) = [point(1), point(1), point(2), 1.0_pReal - 2.0_pReal*point(1) - point(2)]
temp(:,2 ) = [point(1), point(1), 1.0_pReal - 2.0_pReal*point(1) - point(2), point(2)]
temp(:,3 ) = [point(1), point(2), point(1), 1.0_pReal - 2.0_pReal*point(1) - point(2)]
temp(:,4 ) = [point(1), point(2), 1.0_pReal - 2.0_pReal*point(1) - point(2), point(1)]
temp(:,5 ) = [point(1), 1.0_pReal - 2.0_pReal*point(1) - point(2), point(1), point(2)]
temp(:,6 ) = [point(1), 1.0_pReal - 2.0_pReal*point(1) - point(2), point(2), point(1)]
temp(:,7 ) = [point(2), point(1), point(1), 1.0_pReal - 2.0_pReal*point(1) - point(2)]
temp(:,8 ) = [point(2), point(1), 1.0_pReal - 2.0_pReal*point(1) - point(2), point(1)]
temp(:,9 ) = [point(2), 1.0_pReal - 2.0_pReal*point(1) - point(2), point(1), point(1)]
temp(:,10) = [1.0_pReal - 2.0_pReal*point(1) - point(2), point(1), point(1), point(2)]
temp(:,11) = [1.0_pReal - 2.0_pReal*point(1) - point(2), point(1), point(2), point(1)]
temp(:,12) = [1.0_pReal - 2.0_pReal*point(1) - point(2), point(2), point(1), point(1)]
qPt = matmul(tetrahedron, temp)
end subroutine FEM_Zoo_permutationStar211
!--------------------------------------------------------------------------------------------------
!> @brief star 1111 permutation of input
!--------------------------------------------------------------------------------------------------
subroutine FEM_Zoo_permutationStar1111(point,qPt)
implicit none
real(pReal) :: point(3), qPt(3,24), temp(4,24)
temp(:,1 ) = [point(1), point(2), point(3), 1.0_pReal - point(1) - point(2)- point(3)]
temp(:,2 ) = [point(1), point(2), 1.0_pReal - point(1) - point(2)- point(3), point(3)]
temp(:,3 ) = [point(1), point(3), point(2), 1.0_pReal - point(1) - point(2)- point(3)]
temp(:,4 ) = [point(1), point(3), 1.0_pReal - point(1) - point(2)- point(3), point(2)]
temp(:,5 ) = [point(1), 1.0_pReal - point(1) - point(2)- point(3), point(2), point(3)]
temp(:,6 ) = [point(1), 1.0_pReal - point(1) - point(2)- point(3), point(3), point(2)]
temp(:,7 ) = [point(2), point(1), point(3), 1.0_pReal - point(1) - point(2)- point(3)]
temp(:,8 ) = [point(2), point(1), 1.0_pReal - point(1) - point(2)- point(3), point(3)]
temp(:,9 ) = [point(2), point(3), point(1), 1.0_pReal - point(1) - point(2)- point(3)]
temp(:,10) = [point(2), point(3), 1.0_pReal - point(1) - point(2)- point(3), point(1)]
temp(:,11) = [point(2), 1.0_pReal - point(1) - point(2)- point(3), point(1), point(3)]
temp(:,12) = [point(2), 1.0_pReal - point(1) - point(2)- point(3), point(3), point(1)]
temp(:,13) = [point(3), point(1), point(2), 1.0_pReal - point(1) - point(2)- point(3)]
temp(:,14) = [point(3), point(1), 1.0_pReal - point(1) - point(2)- point(3), point(2)]
temp(:,15) = [point(3), point(2), point(1), 1.0_pReal - point(1) - point(2)- point(3)]
temp(:,16) = [point(3), point(2), 1.0_pReal - point(1) - point(2)- point(3), point(1)]
temp(:,17) = [point(3), 1.0_pReal - point(1) - point(2)- point(3), point(1), point(2)]
temp(:,18) = [point(3), 1.0_pReal - point(1) - point(2)- point(3), point(2), point(1)]
temp(:,19) = [1.0_pReal - point(1) - point(2)- point(3), point(1), point(2), point(3)]
temp(:,20) = [1.0_pReal - point(1) - point(2)- point(3), point(1), point(3), point(2)]
temp(:,21) = [1.0_pReal - point(1) - point(2)- point(3), point(2), point(1), point(3)]
temp(:,22) = [1.0_pReal - point(1) - point(2)- point(3), point(2), point(3), point(1)]
temp(:,23) = [1.0_pReal - point(1) - point(2)- point(3), point(3), point(1), point(2)]
temp(:,24) = [1.0_pReal - point(1) - point(2)- point(3), point(3), point(2), point(1)]
qPt = matmul(tetrahedron, temp)
end subroutine FEM_Zoo_permutationStar1111
end module FEM_Zoo

9
src/FEsolving.f90
View File

@ -81,20 +81,13 @@ subroutine FE_init
modelName = getSolverJobName()
#if defined(Spectral) || defined(FEM)
#ifdef Spectral
restartInc = spectralRestartInc
#endif
#ifdef FEM
restartInc = FEMRestartInc
#endif
restartInc = interface_RestartInc
if(restartInc < 0_pInt) then
call IO_warning(warning_ID=34_pInt)
restartInc = 0_pInt
endif
restartRead = restartInc > 0_pInt ! only read in if "true" restart requested
#else
call IO_open_inputFile(FILEUNIT,modelName)
rewind(FILEUNIT)

112
src/homogenization.f90
View File

@ -6,9 +6,6 @@
!--------------------------------------------------------------------------------------------------
module homogenization
use prec, only: &
#ifdef FEM
tOutputData, &
#endif
pInt, &
pReal
@ -22,16 +19,8 @@ module homogenization
materialpoint_P !< first P--K stress of IP
real(pReal), dimension(:,:,:,:,:,:), allocatable, public :: &
materialpoint_dPdF !< tangent of first P--K stress at IP
#ifdef FEM
type(tOutputData), dimension(:), allocatable, public :: &
homogOutput
type(tOutputData), dimension(:,:), allocatable, public :: &
crystalliteOutput, &
phaseOutput
#else
real(pReal), dimension(:,:,:), allocatable, public :: &
materialpoint_results !< results array of material point
#endif
integer(pInt), public, protected :: &
materialpoint_sizeResults, &
homogenization_maxSizePostResults, &
@ -90,16 +79,11 @@ subroutine homogenization_init
mesh_element, &
FE_Nips, &
FE_geomtype
#ifdef FEM
use crystallite, only: &
crystallite_sizePostResults
#else
use constitutive, only: &
constitutive_plasticity_maxSizePostResults, &
constitutive_source_maxSizePostResults
use crystallite, only: &
crystallite_maxSizePostResults
#endif
use config, only: &
config_deallocate, &
material_configFile, &
@ -411,33 +395,6 @@ subroutine homogenization_init
hydrogenflux_maxSizePostResults = max(hydrogenflux_maxSizePostResults ,hydrogenfluxState(p)%sizePostResults)
enddo
#ifdef FEM
allocate(homogOutput (material_Nhomogenization ))
allocate(crystalliteOutput(material_Ncrystallite, homogenization_maxNgrains))
allocate(phaseOutput (material_Nphase, homogenization_maxNgrains))
do p = 1, material_Nhomogenization
homogOutput(p)%sizeResults = homogState (p)%sizePostResults + &
thermalState (p)%sizePostResults + &
damageState (p)%sizePostResults + &
vacancyfluxState (p)%sizePostResults + &
porosityState (p)%sizePostResults + &
hydrogenfluxState(p)%sizePostResults
homogOutput(p)%sizeIpCells = count(material_homog==p)
allocate(homogOutput(p)%output(homogOutput(p)%sizeResults,homogOutput(p)%sizeIpCells))
enddo
do p = 1, material_Ncrystallite; do e = 1, homogenization_maxNgrains
crystalliteOutput(p,e)%sizeResults = crystallite_sizePostResults(p)
crystalliteOutput(p,e)%sizeIpCells = count(microstructure_crystallite(mesh_element(4,:)) == p .and. &
homogenization_Ngrains (mesh_element(3,:)) >= e)*mesh_maxNips
allocate(crystalliteOutput(p,e)%output(crystalliteOutput(p,e)%sizeResults,crystalliteOutput(p,e)%sizeIpCells))
enddo; enddo
do p = 1, material_Nphase; do e = 1, homogenization_maxNgrains
phaseOutput(p,e)%sizeResults = plasticState (p)%sizePostResults + &
sum(sourceState (p)%p(:)%sizePostResults)
phaseOutput(p,e)%sizeIpCells = count(material_phase(e,:,:) == p)
allocate(phaseOutput(p,e)%output(phaseOutput(p,e)%sizeResults,phaseOutput(p,e)%sizeIpCells))
enddo; enddo
#else
materialpoint_sizeResults = 1 & ! grain count
+ 1 + homogenization_maxSizePostResults & ! homogSize & homogResult
+ thermal_maxSizePostResults &
@ -449,7 +406,6 @@ subroutine homogenization_init
+ 1 + constitutive_plasticity_maxSizePostResults & ! constitutive size & constitutive results
+ constitutive_source_maxSizePostResults)
allocate(materialpoint_results(materialpoint_sizeResults,mesh_maxNips,mesh_NcpElems))
#endif
write(6,'(/,a)') ' <<<+- homogenization init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
@ -473,9 +429,6 @@ subroutine homogenization_init
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_requested: ', shape(materialpoint_requested)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_converged: ', shape(materialpoint_converged)
write(6,'(a32,1x,7(i8,1x),/)') 'materialpoint_doneAndHappy: ', shape(materialpoint_doneAndHappy)
#ifndef FEM
write(6,'(a32,1x,7(i8,1x),/)') 'materialpoint_results: ', shape(materialpoint_results)
#endif
write(6,'(a32,1x,7(i8,1x))') 'maxSizePostResults: ', homogenization_maxSizePostResults
endif
flush(6)
@ -904,33 +857,18 @@ subroutine materialpoint_postResults
mesh_element
use material, only: &
mappingHomogenization, &
#ifdef FEM
phaseAt, phasememberAt, &
homogenization_maxNgrains, &
material_Ncrystallite, &
material_Nphase, &
#else
homogState, &
thermalState, &
damageState, &
vacancyfluxState, &
porosityState, &
hydrogenfluxState, &
#endif
plasticState, &
sourceState, &
material_phase, &
homogenization_Ngrains, &
microstructure_crystallite
#ifdef FEM
use constitutive, only: &
constitutive_plasticity_maxSizePostResults, &
constitutive_source_maxSizePostResults
#endif
use crystallite, only: &
#ifdef FEM
crystallite_maxSizePostResults, &
#endif
crystallite_sizePostResults, &
crystallite_postResults
@ -943,55 +881,6 @@ subroutine materialpoint_postResults
g, & !< grain number
i, & !< integration point number
e !< element number
#ifdef FEM
integer(pInt) :: &
myHomog, &
myPhase, &
crystalliteCtr(material_Ncrystallite, homogenization_maxNgrains), &
phaseCtr (material_Nphase, homogenization_maxNgrains)
real(pReal), dimension(1+crystallite_maxSizePostResults + &
1+constitutive_plasticity_maxSizePostResults + &
constitutive_source_maxSizePostResults) :: &
crystalliteResults
crystalliteCtr = 0_pInt; phaseCtr = 0_pInt
elementLooping: do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
myCrystallite = microstructure_crystallite(mesh_element(4,e))
IpLooping: do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
myHomog = mappingHomogenization(2,i,e)
thePos = mappingHomogenization(1,i,e)
homogOutput(myHomog)%output(1: &
homogOutput(myHomog)%sizeResults, &
thePos) = homogenization_postResults(i,e)
grainLooping :do g = 1,myNgrains
myPhase = phaseAt(g,i,e)
crystalliteResults(1:1+crystallite_sizePostResults(myCrystallite) + &
1+plasticState(myPhase)%sizePostResults + &
sum(sourceState(myPhase)%p(:)%sizePostResults)) = crystallite_postResults(g,i,e)
if (microstructure_crystallite(mesh_element(4,e)) == myCrystallite .and. &
homogenization_Ngrains (mesh_element(3,e)) >= g) then
crystalliteCtr(myCrystallite,g) = crystalliteCtr(myCrystallite,g) + 1_pInt
crystalliteOutput(myCrystallite,g)% &
output(1:crystalliteOutput(myCrystallite,g)%sizeResults,crystalliteCtr(myCrystallite,g)) = &
crystalliteResults(2:1+crystalliteOutput(myCrystallite,g)%sizeResults)
endif
if (material_phase(g,i,e) == myPhase) then
phaseCtr(myPhase,g) = phaseCtr(myPhase,g) + 1_pInt
phaseOutput(myPhase,g)% &
output(1:phaseOutput(myPhase,g)%sizeResults,phaseCtr(myPhase,g)) = &
crystalliteResults(3 + crystalliteOutput(myCrystallite,g)%sizeResults: &
1 + crystalliteOutput(myCrystallite,g)%sizeResults + &
1 + plasticState (myphase)%sizePostResults + &
sum(sourceState(myphase)%p(:)%sizePostResults))
endif
enddo grainLooping
enddo IpLooping
enddo elementLooping
#else
!$OMP PARALLEL DO PRIVATE(myNgrains,myCrystallite,thePos,theSize)
elementLooping: do e = FEsolving_execElem(1),FEsolving_execElem(2)
@ -1027,7 +916,6 @@ subroutine materialpoint_postResults
enddo IpLooping
enddo elementLooping
!$OMP END PARALLEL DO
#endif
end subroutine materialpoint_postResults

4
src/material.f90
View File

@ -16,7 +16,7 @@ module material
tSourceState, &
tHomogMapping, &
tPhaseMapping, &
group_scalar, &
group_float, &
group_int
implicit none
@ -268,7 +268,7 @@ module material
porosityMapping, & !< mapping for porosity state/fields
hydrogenfluxMapping !< mapping for hydrogen conc state/fields
type(group_scalar), allocatable, dimension(:), public :: &
type(group_float), allocatable, dimension(:), public :: &
temperature, & !< temperature field
damage, & !< damage field
vacancyConc, & !< vacancy conc field

2
src/math.f90
View File

@ -12,7 +12,7 @@ module math
implicit none
private
real(pReal), parameter, public :: PI = 3.141592653589793_pReal !< ratio of a circle's circumference to its diameter
real(pReal), parameter, public :: PI = acos(-1.0_pReal) !< ratio of a circle's circumference to its diameter
real(pReal), parameter, public :: INDEG = 180.0_pReal/PI !< conversion from radian into degree
real(pReal), parameter, public :: INRAD = PI/180.0_pReal !< conversion from degree into radian
complex(pReal), parameter, public :: TWOPIIMG = (0.0_pReal,2.0_pReal)*(PI,0.0_pReal) !< Re(0.0), Im(2xPi)

33
src/mesh.f90
View File

@ -95,9 +95,11 @@ module mesh
integer(pInt), dimension(:,:), allocatable, private :: &
mesh_cellnodeParent !< cellnode's parent element ID, cellnode's intra-element ID
#if defined(Marc4DAMASK) || defined(Abaqus)
integer(pInt), dimension(:,:), allocatable, target, private :: &
mesh_mapFEtoCPelem, & !< [sorted FEid, corresponding CPid]
mesh_mapFEtoCPnode !< [sorted FEid, corresponding CPid]
#endif
integer(pInt),dimension(:,:,:), allocatable, private :: &
mesh_cell !< cell connectivity for each element,ip/cell
@ -402,7 +404,9 @@ module mesh
public :: &
mesh_init, &
#if defined(Marc4DAMASK) || defined(Abaqus)
mesh_FEasCP, &
#endif
mesh_build_cellnodes, &
mesh_build_ipVolumes, &
mesh_build_ipCoordinates, &
@ -420,7 +424,6 @@ module mesh
#ifdef Spectral
mesh_spectral_getHomogenization, &
mesh_spectral_count, &
mesh_spectral_mapNodesAndElems, &
mesh_spectral_count_cpSizes, &
mesh_spectral_build_nodes, &
mesh_spectral_build_elements, &
@ -552,8 +555,6 @@ subroutine mesh_init(ip,el)
if (myDebug) write(6,'(a)') ' Grid partitioned'; flush(6)
call mesh_spectral_count()
if (myDebug) write(6,'(a)') ' Counted nodes/elements'; flush(6)
call mesh_spectral_mapNodesAndElems
if (myDebug) write(6,'(a)') ' Mapped nodes and elements'; flush(6)
call mesh_spectral_count_cpSizes
if (myDebug) write(6,'(a)') ' Built CP statistics'; flush(6)
call mesh_spectral_build_nodes()
@ -659,12 +660,16 @@ subroutine mesh_init(ip,el)
allocate(calcMode(mesh_maxNips,mesh_NcpElems))
calcMode = .false. ! pretend to have collected what first call is asking (F = I)
#if defined(Marc4DAMASK) || defined(Abaqus)
calcMode(ip,mesh_FEasCP('elem',el)) = .true. ! first ip,el needs to be already pingponged to "calc"
#else
calcMode(ip,el) = .true. ! first ip,el needs to be already pingponged to "calc"
#endif
end subroutine mesh_init
#if defined(Marc4DAMASK) || defined(Abaqus)
!--------------------------------------------------------------------------------------------------
!> @brief Gives the FE to CP ID mapping by binary search through lookup array
!! valid questions (what) are 'elem', 'node'
@ -713,7 +718,7 @@ integer(pInt) function mesh_FEasCP(what,myID)
enddo binarySearch
end function mesh_FEasCP
#endif
!--------------------------------------------------------------------------------------------------
!> @brief Split CP elements into cells.
@ -1188,24 +1193,6 @@ subroutine mesh_spectral_count()
end subroutine mesh_spectral_count
!--------------------------------------------------------------------------------------------------
!> @brief fake map node from FE ID to internal (consecutive) representation for node and element
!! Allocates global array 'mesh_mapFEtoCPnode' and 'mesh_mapFEtoCPelem'
!--------------------------------------------------------------------------------------------------
subroutine mesh_spectral_mapNodesAndElems
use math, only: &
math_range
implicit none
allocate (mesh_mapFEtoCPnode(2_pInt,mesh_Nnodes), source = 0_pInt)
allocate (mesh_mapFEtoCPelem(2_pInt,mesh_NcpElems), source = 0_pInt)
mesh_mapFEtoCPnode = spread(math_range(mesh_Nnodes),1,2)
mesh_mapFEtoCPelem = spread(math_range(mesh_NcpElems),1,2)
end subroutine mesh_spectral_mapNodesAndElems
!--------------------------------------------------------------------------------------------------
!> @brief Gets maximum count of nodes, IPs, IP neighbors, and subNodes among cpElements.
!! Sets global values 'mesh_maxNnodes', 'mesh_maxNips', 'mesh_maxNipNeighbors',

356
src/meshFEM.f90 Normal file
View File

@ -0,0 +1,356 @@
!--------------------------------------------------------------------------------------------------
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Driver controlling inner and outer load case looping of the FEM solver
!> @details doing cutbacking, forwarding in case of restart, reporting statistics, writing
!> results
!--------------------------------------------------------------------------------------------------
module mesh
#include <petsc/finclude/petscis.h>
#include <petsc/finclude/petscdmda.h>
use prec, only: pReal, pInt
use PETScdmda
use PETScis
implicit none
private
integer(pInt), public, protected :: &
mesh_Nboundaries, &
mesh_NcpElems, & !< total number of CP elements in mesh
mesh_NcpElemsGlobal, &
mesh_Nnodes, & !< total number of nodes in mesh
mesh_maxNnodes, & !< max number of nodes in any CP element
mesh_maxNips, & !< max number of IPs in any CP element
mesh_maxNipNeighbors, &
mesh_Nelems !< total number of elements in mesh
real(pReal), public, protected :: charLength
integer(pInt), dimension(:,:), allocatable, public, protected :: &
mesh_element !< FEid, type(internal representation), material, texture, node indices as CP IDs
real(pReal), dimension(:,:), allocatable, public :: &
mesh_node !< node x,y,z coordinates (after deformation! ONLY FOR MARC!!!)
real(pReal), dimension(:,:), allocatable, public, protected :: &
mesh_ipVolume, & !< volume associated with IP (initially!)
mesh_node0 !< node x,y,z coordinates (initially!)
real(pReal), dimension(:,:,:), allocatable, public :: &
mesh_ipCoordinates !< IP x,y,z coordinates (after deformation!)
real(pReal), dimension(:,:,:), allocatable, public, protected :: &
mesh_ipArea !< area of interface to neighboring IP (initially!)
real(pReal),dimension(:,:,:,:), allocatable, public, protected :: &
mesh_ipAreaNormal !< area normal of interface to neighboring IP (initially!)
integer(pInt), dimension(:,:,:,:), allocatable, public, protected :: &
mesh_ipNeighborhood !< 6 or less neighboring IPs as [element_num, IP_index, neighbor_index that points to me]
logical, dimension(3), public, protected :: mesh_periodicSurface !< flag indicating periodic outer surfaces (used for fluxes)
DM, public :: geomMesh
integer(pInt), dimension(:), allocatable, public, protected :: &
mesh_boundaries
integer(pInt), parameter, public :: &
FE_Nelemtypes = 1_pInt, &
FE_Ngeomtypes = 1_pInt, &
FE_Ncelltypes = 1_pInt, &
FE_maxNnodes = 1_pInt, &
FE_maxNips = 14_pInt
integer(pInt), dimension(FE_Nelemtypes), parameter, public :: FE_geomtype = & !< geometry type of particular element type
int([1],pInt)
integer(pInt), dimension(FE_Ngeomtypes), parameter, public :: FE_celltype = & !< cell type that is used by each geometry type
int([1],pInt)
integer(pInt), dimension(FE_Nelemtypes), parameter, public :: FE_Nnodes = & !< number of nodes that constitute a specific type of element
int([0],pInt)
integer(pInt), dimension(FE_Ngeomtypes), public :: FE_Nips = & !< number of IPs in a specific type of element
int([0],pInt)
integer(pInt), dimension(FE_Ncelltypes), parameter, public :: FE_NipNeighbors = & !< number of ip neighbors / cell faces in a specific cell type
int([6],pInt)
public :: &
mesh_init, &
mesh_FEM_build_ipVolumes, &
mesh_FEM_build_ipCoordinates, &
mesh_cellCenterCoordinates
external :: &
DMPlexCreateFromFile, &
DMPlexDistribute, &
DMPlexCopyCoordinates, &
DMGetStratumSize, &
DMPlexGetHeightStratum, &
DMPlexGetLabelValue, &
DMPlexSetLabelValue
contains
!--------------------------------------------------------------------------------------------------
!> @brief initializes the mesh by calling all necessary private routines the mesh module
!! Order and routines strongly depend on type of solver
!--------------------------------------------------------------------------------------------------
subroutine mesh_init(ip,el)
use DAMASK_interface
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
use IO, only: &
IO_timeStamp, &
IO_error, &
IO_open_file, &
IO_stringPos, &
IO_intValue, &
IO_EOF, &
IO_read, &
IO_isBlank
use debug, only: &
debug_e, &
debug_i
use numerics, only: &
usePingPong, &
integrationOrder, &
worldrank, &
worldsize
use FEsolving, only: &
FEsolving_execElem, &
FEsolving_execIP, &
calcMode
use FEM_Zoo, only: &
FEM_Zoo_nQuadrature, &
FEM_Zoo_QuadraturePoints
implicit none
integer(pInt), parameter :: FILEUNIT = 222_pInt
integer(pInt), intent(in) :: el, ip
integer(pInt) :: j
integer(pInt), allocatable, dimension(:) :: chunkPos
integer :: dimPlex
character(len=512) :: &
line
logical :: flag
PetscSF :: sf
DM :: globalMesh
PetscInt :: face, nFaceSets
PetscInt, pointer :: pFaceSets(:)
IS :: faceSetIS
PetscErrorCode :: ierr
write(6,'(/,a)') ' <<<+- mesh init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
call DMPlexCreateFromFile(PETSC_COMM_WORLD,geometryFile,PETSC_TRUE,globalMesh,ierr)
CHKERRQ(ierr)
call DMGetDimension(globalMesh,dimPlex,ierr)
CHKERRQ(ierr)
call DMGetStratumSize(globalMesh,'depth',dimPlex,mesh_NcpElemsGlobal,ierr)
CHKERRQ(ierr)
call DMGetLabelSize(globalMesh,'Face Sets',mesh_Nboundaries,ierr)
CHKERRQ(ierr)
call MPI_Bcast(mesh_Nboundaries,1,MPI_INTEGER,0,PETSC_COMM_WORLD,ierr)
call MPI_Bcast(mesh_NcpElemsGlobal,1,MPI_INTEGER,0,PETSC_COMM_WORLD,ierr)
call MPI_Bcast(dimPlex,1,MPI_INTEGER,0,PETSC_COMM_WORLD,ierr)
allocate(mesh_boundaries(mesh_Nboundaries), source = 0_pInt)
call DMGetLabelSize(globalMesh,'Face Sets',nFaceSets,ierr)
CHKERRQ(ierr)
call DMGetLabelIdIS(globalMesh,'Face Sets',faceSetIS,ierr)
CHKERRQ(ierr)
if (nFaceSets > 0) call ISGetIndicesF90(faceSetIS,pFaceSets,ierr)
do face = 1, nFaceSets
mesh_boundaries(face) = pFaceSets(face)
enddo
if (nFaceSets > 0) call ISRestoreIndicesF90(faceSetIS,pFaceSets,ierr)
call MPI_Bcast(mesh_boundaries,mesh_Nboundaries,MPI_INTEGER,0,PETSC_COMM_WORLD,ierr)
if (worldrank == 0) then
j = 0
flag = .false.
call IO_open_file(FILEUNIT,trim(geometryFile))
do
read(FILEUNIT,'(a512)') line
if (trim(line) == IO_EOF) exit ! skip empty lines
if (trim(line) == '$Elements') then
read(FILEUNIT,'(a512)') line
read(FILEUNIT,'(a512)') line
flag = .true.
endif
if (trim(line) == '$EndElements') exit
if (flag) then
chunkPos = IO_stringPos(line)
if (chunkPos(1) == 3+IO_intValue(line,chunkPos,3)+dimPlex+1) then
call DMSetLabelValue(globalMesh,'material',j,IO_intValue(line,chunkPos,4),ierr)
CHKERRQ(ierr)
j = j + 1
endif ! count all identifiers to allocate memory and do sanity check
endif
enddo
close (FILEUNIT)
endif
if (worldsize > 1) then
call DMPlexDistribute(globalMesh,0,sf,geomMesh,ierr)
CHKERRQ(ierr)
else
call DMClone(globalMesh,geomMesh,ierr)
CHKERRQ(ierr)
endif
call DMDestroy(globalMesh,ierr); CHKERRQ(ierr)
call DMGetStratumSize(geomMesh,'depth',dimPlex,mesh_Nelems,ierr)
CHKERRQ(ierr)
call DMGetStratumSize(geomMesh,'depth',0,mesh_Nnodes,ierr)
CHKERRQ(ierr)
mesh_NcpElems = mesh_Nelems
FE_Nips(FE_geomtype(1_pInt)) = FEM_Zoo_nQuadrature(dimPlex,integrationOrder)
mesh_maxNnodes = FE_Nnodes(1_pInt)
mesh_maxNips = FE_Nips(1_pInt)
call mesh_FEM_build_ipCoordinates(dimPlex,FEM_Zoo_QuadraturePoints(dimPlex,integrationOrder)%p)
call mesh_FEM_build_ipVolumes(dimPlex)
allocate (mesh_element (4_pInt+mesh_maxNnodes,mesh_NcpElems)); mesh_element = 0_pInt
do j = 1, mesh_NcpElems
mesh_element( 1,j) = j
mesh_element( 2,j) = 1_pInt ! elem type
mesh_element( 3,j) = 1_pInt ! homogenization
call DMGetLabelValue(geomMesh,'material',j-1,mesh_element(4,j),ierr)
CHKERRQ(ierr)
end do
if (usePingPong .and. (mesh_Nelems /= mesh_NcpElems)) &
call IO_error(600_pInt) ! ping-pong must be disabled when having non-DAMASK elements
if (debug_e < 1 .or. debug_e > mesh_NcpElems) &
call IO_error(602_pInt,ext_msg='element') ! selected element does not exist
if (debug_i < 1 .or. debug_i > FE_Nips(FE_geomtype(mesh_element(2_pInt,debug_e)))) &
call IO_error(602_pInt,ext_msg='IP') ! selected element does not have requested IP
FEsolving_execElem = [ 1_pInt,mesh_NcpElems ] ! parallel loop bounds set to comprise all DAMASK elements
if (allocated(FEsolving_execIP)) deallocate(FEsolving_execIP)
allocate(FEsolving_execIP(2_pInt,mesh_NcpElems)); FEsolving_execIP = 1_pInt ! parallel loop bounds set to comprise from first IP...
forall (j = 1_pInt:mesh_NcpElems) FEsolving_execIP(2,j) = FE_Nips(FE_geomtype(mesh_element(2,j))) ! ...up to own IP count for each element
if (allocated(calcMode)) deallocate(calcMode)
allocate(calcMode(mesh_maxNips,mesh_NcpElems))
calcMode = .false. ! pretend to have collected what first call is asking (F = I)
calcMode(ip,el) = .true. ! first ip,el needs to be already pingponged to "calc"
end subroutine mesh_init
!--------------------------------------------------------------------------------------------------
!> @brief Calculates cell center coordinates.
!--------------------------------------------------------------------------------------------------
pure function mesh_cellCenterCoordinates(ip,el)
implicit none
integer(pInt), intent(in) :: el, & !< element number
ip !< integration point number
real(pReal), dimension(3) :: mesh_cellCenterCoordinates !< x,y,z coordinates of the cell center of the requested IP cell
end function mesh_cellCenterCoordinates
!--------------------------------------------------------------------------------------------------
!> @brief Calculates IP volume. Allocates global array 'mesh_ipVolume'
!> @details The IP volume is calculated differently depending on the cell type.
!> 2D cells assume an element depth of one in order to calculate the volume.
!> For the hexahedral cell we subdivide the cell into subvolumes of pyramidal
!> shape with a cell face as basis and the central ip at the tip. This subvolume is
!> calculated as an average of four tetrahedals with three corners on the cell face
!> and one corner at the central ip.
!--------------------------------------------------------------------------------------------------
subroutine mesh_FEM_build_ipVolumes(dimPlex)
use math, only: &
math_I3, &
math_det33
implicit none
PetscInt :: dimPlex
PetscReal :: vol
PetscReal, target :: cent(dimPlex), norm(dimPlex)
PetscReal, pointer :: pCent(:), pNorm(:)
PetscInt :: cellStart, cellEnd, cell
PetscErrorCode :: ierr
if (.not. allocated(mesh_ipVolume)) then
allocate(mesh_ipVolume(mesh_maxNips,mesh_NcpElems))
mesh_ipVolume = 0.0_pReal
endif
call DMPlexGetHeightStratum(geomMesh,0,cellStart,cellEnd,ierr); CHKERRQ(ierr)
pCent => cent
pNorm => norm
do cell = cellStart, cellEnd-1
call DMPlexComputeCellGeometryFVM(geomMesh,cell,vol,pCent,pNorm,ierr)
CHKERRQ(ierr)
mesh_ipVolume(:,cell+1) = vol/real(mesh_maxNips,pReal)
enddo
end subroutine mesh_FEM_build_ipVolumes
!--------------------------------------------------------------------------------------------------
!> @brief Calculates IP Coordinates. Allocates global array 'mesh_ipCoordinates'
! Called by all solvers in mesh_init in order to initialize the ip coordinates.
! Later on the current ip coordinates are directly prvided by the spectral solver and by Abaqus,
! so no need to use this subroutine anymore; Marc however only provides nodal displacements,
! so in this case the ip coordinates are always calculated on the basis of this subroutine.
! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! FOR THE MOMENT THIS SUBROUTINE ACTUALLY CALCULATES THE CELL CENTER AND NOT THE IP COORDINATES,
! AS THE IP IS NOT (ALWAYS) LOCATED IN THE CENTER OF THE IP VOLUME.
! HAS TO BE CHANGED IN A LATER VERSION.
! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!--------------------------------------------------------------------------------------------------
subroutine mesh_FEM_build_ipCoordinates(dimPlex,qPoints)
implicit none
PetscInt, intent(in) :: dimPlex
PetscReal, intent(in) :: qPoints(mesh_maxNips*dimPlex)
PetscReal, target :: v0(dimPlex), cellJ(dimPlex*dimPlex), invcellJ(dimPlex*dimPlex)
PetscReal, pointer :: pV0(:), pCellJ(:), pInvcellJ(:)
PetscReal :: detJ
PetscInt :: cellStart, cellEnd, cell, qPt, dirI, dirJ, qOffset
PetscErrorCode :: ierr
allocate(mesh_ipCoordinates(3,mesh_maxNips,mesh_NcpElems),source=0.0_pReal)
pV0 => v0
pCellJ => cellJ
pInvcellJ => invcellJ
call DMPlexGetHeightStratum(geomMesh,0,cellStart,cellEnd,ierr); CHKERRQ(ierr)
do cell = cellStart, cellEnd-1 !< loop over all elements
call DMPlexComputeCellGeometryAffineFEM(geomMesh,cell,pV0,pCellJ,pInvcellJ,detJ,ierr)
CHKERRQ(ierr)
qOffset = 0
do qPt = 1, mesh_maxNips
do dirI = 1, dimPlex
mesh_ipCoordinates(dirI,qPt,cell+1) = pV0(dirI)
do dirJ = 1, dimPlex
mesh_ipCoordinates(dirI,qPt,cell+1) = mesh_ipCoordinates(dirI,qPt,cell+1) + &
pCellJ((dirI-1)*dimPlex+dirJ)*(qPoints(qOffset+dirJ) + 1.0)
enddo
enddo
qOffset = qOffset + dimPlex
enddo
enddo
end subroutine mesh_FEM_build_ipCoordinates
end module mesh

3
src/plastic_isotropic.f90
View File

@ -109,11 +109,9 @@ use IO
type(tParameters), pointer :: prm
integer(pInt) :: &
o, &
phase, &
instance, &
maxNinstance, &
mySize, &
sizeDotState, &
sizeState, &
sizeDeltaState
@ -136,7 +134,6 @@ use IO
plastic_isotropic_output = ''
allocate(plastic_isotropic_Noutput(maxNinstance), source=0_pInt)
! inernal variable
allocate(param(maxNinstance)) ! one container of parameters per instance
allocate(state(maxNinstance)) ! internal state aliases
allocate(dotState(maxNinstance))

4
src/prec.f90
View File

@ -28,9 +28,9 @@ module prec
integer(pInt), allocatable, dimension(:) :: realloc_lhs_test
type, public :: group_scalar !< variable length datatype used for storage of state
type, public :: group_float !< variable length datatype used for storage of state
real(pReal), dimension(:), pointer :: p
end type group_scalar
end type group_float
type, public :: group_int
integer(pInt), dimension(:), pointer :: p

44
src/system_routines.f90
View File

@ -78,28 +78,30 @@ end function isDirectory
!--------------------------------------------------------------------------------------------------
!> @brief gets the current working directory
!--------------------------------------------------------------------------------------------------
logical function getCWD(str)
character(len=1024) function getCWD()
use, intrinsic :: ISO_C_Binding, only: &
C_INT, &
C_CHAR, &
C_NULL_CHAR
implicit none
character(len=*), intent(out) :: str
character(kind=C_CHAR), dimension(1024) :: strFixedLength ! C string is an array
character(kind=C_CHAR), dimension(1024) :: charArray ! C string is an array
integer(C_INT) :: stat
integer :: i
str = repeat('',len(str))
call getCurrentWorkDir_C(strFixedLength,stat)
do i=1,1024 ! copy array components until Null string is found
if (strFixedLength(i) /= C_NULL_CHAR) then
str(i:i)=strFixedLength(i)
call getCurrentWorkDir_C(charArray,stat)
if (stat /= 0_C_INT) then
getCWD = 'Error occured when getting currend working directory'
else
getCWD = repeat('',len(getCWD))
arrayToString: do i=1,len(getCWD)
if (charArray(i) /= C_NULL_CHAR) then
getCWD(i:i)=charArray(i)
else
exit
endif
enddo
getCWD=merge(.True.,.False.,stat /= 0_C_INT)
enddo arrayToString
endif
end function getCWD
@ -107,28 +109,30 @@ end function getCWD
!--------------------------------------------------------------------------------------------------
!> @brief gets the current host name
!--------------------------------------------------------------------------------------------------
logical function getHostName(str)
character(len=1024) function getHostName()
use, intrinsic :: ISO_C_Binding, only: &
C_INT, &
C_CHAR, &
C_NULL_CHAR
implicit none
character(len=*), intent(out) :: str
character(kind=C_CHAR), dimension(1024) :: strFixedLength ! C string is an array
character(kind=C_CHAR), dimension(1024) :: charArray ! C string is an array
integer(C_INT) :: stat
integer :: i
str = repeat('',len(str))
call getHostName_C(strFixedLength,stat)
do i=1,1024 ! copy array components until Null string is found
if (strFixedLength(i) /= C_NULL_CHAR) then
str(i:i)=strFixedLength(i)
call getHostName_C(charArray,stat)
if (stat /= 0_C_INT) then
getHostName = 'Error occured when getting host name'
else
getHostName = repeat('',len(getHostName))
arrayToString: do i=1,len(getHostName)
if (charArray(i) /= C_NULL_CHAR) then
getHostName(i:i)=charArray(i)
else
exit
endif
enddo
getHostName=merge(.True.,.False.,stat /= 0_C_INT)
enddo arrayToString
endif
end function getHostName

4
src/vacancyflux_cahnhilliard.f90
View File

@ -7,7 +7,7 @@ module vacancyflux_cahnhilliard
use prec, only: &
pReal, &
pInt, &
group_scalar
group_float
implicit none
private
@ -26,7 +26,7 @@ module vacancyflux_cahnhilliard
real(pReal), dimension(:), allocatable, private :: &
vacancyflux_cahnhilliard_flucAmplitude
type(group_scalar), dimension(:), allocatable, private :: &
type(group_float), dimension(:), allocatable, private :: &
vacancyflux_cahnhilliard_thermalFluc
real(pReal), parameter, private :: &