Merge branch 'development' into 42-new-coding-style-for-homogenization
This commit is contained in:
commit
4112da183e
|
@ -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
2
PRIVATE
|
@ -1 +1 @@
|
|||
Subproject commit dfd67ea44ba88ee1e0a33266a3986c64137908cf
|
||||
Subproject commit a764ade044735df35fac93a5204446291ee29abc
|
|
@ -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()
|
||||
|
|
|
@ -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, &
|
||||
|
|
|
@ -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
|
|
@ -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
|
|
@ -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)
|
||||
|
|
|
@ -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
|
|
@ -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
|
|
@ -0,0 +1,350 @@
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @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
|
|
@ -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)
|
||||
|
|
277
src/IO.f90
277
src/IO.f90
|
@ -22,6 +22,7 @@ module IO
|
|||
public :: &
|
||||
IO_init, &
|
||||
IO_read, &
|
||||
IO_recursiveRead, &
|
||||
IO_checkAndRewind, &
|
||||
IO_open_file_stat, &
|
||||
IO_open_jobFile_stat, &
|
||||
|
@ -35,10 +36,6 @@ module IO
|
|||
IO_hybridIA, &
|
||||
IO_isBlank, &
|
||||
IO_getTag, &
|
||||
IO_countSections, &
|
||||
IO_countTagInPart, &
|
||||
IO_spotTagInPart, &
|
||||
IO_globalTagInPart, &
|
||||
IO_stringPos, &
|
||||
IO_stringValue, &
|
||||
IO_fixedStringValue ,&
|
||||
|
@ -100,6 +97,7 @@ end subroutine IO_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief recursively reads a line from a text file.
|
||||
!! Recursion is triggered by "{path/to/inputfile}" in a line
|
||||
!> @details unstable and buggy
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
recursive function IO_read(fileUnit,reset) result(line)
|
||||
|
||||
|
@ -151,7 +149,7 @@ recursive function IO_read(fileUnit,reset) result(line)
|
|||
pathOn(stack) = path(1:scan(path,SEP,.true.))//input ! glue include to current file's dir
|
||||
endif
|
||||
|
||||
open(newunit=unitOn(stack),iostat=myStat,file=pathOn(stack),action='read') ! open included file
|
||||
open(newunit=unitOn(stack),iostat=myStat,file=pathOn(stack),action='read',status='old',position='rewind') ! open included file
|
||||
if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=pathOn(stack))
|
||||
|
||||
line = IO_read(fileUnit)
|
||||
|
@ -170,6 +168,80 @@ recursive function IO_read(fileUnit,reset) result(line)
|
|||
|
||||
end function IO_read
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief recursively reads a text file.
|
||||
!! Recursion is triggered by "{path/to/inputfile}" in a line
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
recursive function IO_recursiveRead(fileName,cnt) result(fileContent)
|
||||
|
||||
implicit none
|
||||
character(len=*), intent(in) :: fileName
|
||||
integer(pInt), intent(in), optional :: cnt !< recursion counter
|
||||
character(len=256), dimension(:), allocatable :: fileContent !< file content, separated per lines
|
||||
character(len=256), dimension(:), allocatable :: includedContent
|
||||
character(len=256) :: line
|
||||
character(len=256), parameter :: dummy = 'https://damask.mpie.de' !< to fill up remaining array
|
||||
character(len=:), allocatable :: rawData
|
||||
integer(pInt) :: &
|
||||
fileLength, &
|
||||
fileUnit, &
|
||||
startPos, endPos, &
|
||||
myTotalLines, & !< # lines read from file without include statements
|
||||
includedLines, & !< # lines included from other file(s)
|
||||
missingLines, & !< # lines missing from current file
|
||||
l,i, &
|
||||
myStat
|
||||
|
||||
if (merge(cnt,0_pInt,present(cnt))>10_pInt) call IO_error(106_pInt,ext_msg=trim(fileName))
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! read data as stream
|
||||
inquire(file = fileName, size=fileLength)
|
||||
open(newunit=fileUnit, file=fileName, access='stream',&
|
||||
status='old', position='rewind', action='read',iostat=myStat)
|
||||
if(myStat /= 0_pInt) call IO_error(100_pInt,ext_msg=trim(fileName))
|
||||
allocate(character(len=fileLength)::rawData)
|
||||
read(fileUnit) rawData
|
||||
close(fileUnit)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! count lines to allocate string array
|
||||
myTotalLines = 0_pInt
|
||||
do l=1_pInt, len(rawData)
|
||||
if (rawData(l:l) == new_line('')) myTotalLines = myTotalLines+1
|
||||
enddo
|
||||
allocate(fileContent(myTotalLines))
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! split raw data at end of line and handle includes
|
||||
startPos = 1_pInt
|
||||
endPos = 0_pInt
|
||||
|
||||
includedLines=0_pInt
|
||||
l=0_pInt
|
||||
do while (startPos <= len(rawData))
|
||||
l = l + 1_pInt
|
||||
endPos = endPos + scan(rawData(startPos:),new_line(''))
|
||||
if(endPos - startPos >256) call IO_error(107_pInt,ext_msg=trim(fileName))
|
||||
line = rawData(startPos:endPos-1_pInt)
|
||||
startPos = endPos + 1_pInt
|
||||
|
||||
recursion: if(scan(trim(line),'{') < scan(trim(line),'}')) then
|
||||
myTotalLines = myTotalLines - 1_pInt
|
||||
includedContent = IO_recursiveRead(trim(line(scan(line,'{')+1_pInt:scan(line,'}')-1_pInt)), &
|
||||
merge(cnt,1_pInt,present(cnt))) ! to track recursion depth
|
||||
includedLines = includedLines + size(includedContent)
|
||||
missingLines = myTotalLines + includedLines - size(fileContent(1:l-1)) -size(includedContent)
|
||||
fileContent = [ fileContent(1:l-1_pInt), includedContent, [(dummy,i=1,missingLines)] ] ! add content and grow array
|
||||
l = l - 1_pInt + size(includedContent)
|
||||
else recursion
|
||||
fileContent(l) = line
|
||||
endif recursion
|
||||
|
||||
enddo
|
||||
|
||||
end function IO_recursiveRead
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief checks if unit is opened for reading, if true rewinds. Otherwise stops with
|
||||
|
@ -203,7 +275,7 @@ subroutine IO_open_file(fileUnit,path)
|
|||
|
||||
integer(pInt) :: myStat
|
||||
|
||||
open(fileUnit,status='old',iostat=myStat,file=path)
|
||||
open(fileUnit,status='old',iostat=myStat,file=path,action='read',position='rewind')
|
||||
if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path)
|
||||
|
||||
end subroutine IO_open_file
|
||||
|
@ -222,7 +294,8 @@ logical function IO_open_file_stat(fileUnit,path)
|
|||
|
||||
integer(pInt) :: myStat
|
||||
|
||||
open(fileUnit,status='old',iostat=myStat,file=path)
|
||||
open(fileUnit,status='old',iostat=myStat,file=path,action='read',position='rewind')
|
||||
if (myStat /= 0_pInt) close(fileUnit)
|
||||
IO_open_file_stat = (myStat == 0_pInt)
|
||||
|
||||
end function IO_open_file_stat
|
||||
|
@ -246,7 +319,7 @@ subroutine IO_open_jobFile(fileUnit,ext)
|
|||
character(len=1024) :: path
|
||||
|
||||
path = trim(getSolverJobName())//'.'//ext
|
||||
open(fileUnit,status='old',iostat=myStat,file=path)
|
||||
open(fileUnit,status='old',iostat=myStat,file=path,action='read',position='rewind')
|
||||
if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path)
|
||||
|
||||
end subroutine IO_open_jobFile
|
||||
|
@ -270,7 +343,8 @@ logical function IO_open_jobFile_stat(fileUnit,ext)
|
|||
character(len=1024) :: path
|
||||
|
||||
path = trim(getSolverJobName())//'.'//ext
|
||||
open(fileUnit,status='old',iostat=myStat,file=path)
|
||||
open(fileUnit,status='old',iostat=myStat,file=path,action='read',position='rewind')
|
||||
if (myStat /= 0_pInt) close(fileUnit)
|
||||
IO_open_jobFile_stat = (myStat == 0_pInt)
|
||||
|
||||
end function IO_open_JobFile_stat
|
||||
|
@ -296,11 +370,11 @@ subroutine IO_open_inputFile(fileUnit,modelName)
|
|||
|
||||
fileType = 1_pInt ! assume .pes
|
||||
path = trim(modelName)//inputFileExtension(fileType) ! attempt .pes, if it exists: it should be used
|
||||
open(fileUnit+1,status='old',iostat=myStat,file=path)
|
||||
open(fileUnit+1,status='old',iostat=myStat,file=path,action='read',position='rewind')
|
||||
if(myStat /= 0_pInt) then ! if .pes does not work / exist; use conventional extension, i.e.".inp"
|
||||
fileType = 2_pInt
|
||||
path = trim(modelName)//inputFileExtension(fileType)
|
||||
open(fileUnit+1,status='old',iostat=myStat,file=path)
|
||||
open(fileUnit+1,status='old',iostat=myStat,file=path,action='read',position='rewind')
|
||||
endif
|
||||
if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path)
|
||||
|
||||
|
@ -335,7 +409,7 @@ subroutine IO_open_logFile(fileUnit)
|
|||
character(len=1024) :: path
|
||||
|
||||
path = trim(getSolverJobName())//LogFileExtension
|
||||
open(fileUnit,status='old',iostat=myStat,file=path)
|
||||
open(fileUnit,status='old',iostat=myStat,file=path,action='read',position='rewind')
|
||||
if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path)
|
||||
|
||||
end subroutine IO_open_logFile
|
||||
|
@ -755,16 +829,22 @@ pure function IO_getTag(string,openChar,closeChar)
|
|||
character(len=*), intent(in) :: string !< string to check for tag
|
||||
character(len=len_trim(string)) :: IO_getTag
|
||||
|
||||
character(len=*), intent(in) :: openChar, & !< indicates beginning of tag
|
||||
character, intent(in) :: openChar, & !< indicates beginning of tag
|
||||
closeChar !< indicates end of tag
|
||||
|
||||
character(len=*), parameter :: SEP=achar(32)//achar(9)//achar(10)//achar(13) ! whitespaces
|
||||
|
||||
integer :: left,right ! no pInt
|
||||
|
||||
IO_getTag = ''
|
||||
|
||||
|
||||
if (openChar /= closeChar) then
|
||||
left = scan(string,openChar)
|
||||
right = scan(string,closeChar)
|
||||
else
|
||||
left = scan(string,openChar)
|
||||
right = left + merge(scan(string(left+1:),openChar),0_pInt,len(string) > left)
|
||||
endif
|
||||
|
||||
if (left == verify(string,SEP) .and. right > left) & ! openChar is first and closeChar occurs
|
||||
IO_getTag = string(left+1:right-1)
|
||||
|
@ -772,173 +852,6 @@ pure function IO_getTag(string,openChar,closeChar)
|
|||
end function IO_getTag
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief count number of [sections] in <part> for given file handle
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
integer(pInt) function IO_countSections(fileUnit,part)
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: fileUnit !< file handle
|
||||
character(len=*), intent(in) :: part !< part name in which sections are counted
|
||||
|
||||
character(len=65536) :: line
|
||||
|
||||
line = ''
|
||||
IO_countSections = 0_pInt
|
||||
rewind(fileUnit)
|
||||
|
||||
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= part) ! search for part
|
||||
line = IO_read(fileUnit)
|
||||
enddo
|
||||
|
||||
do while (trim(line) /= IO_EOF)
|
||||
line = IO_read(fileUnit)
|
||||
if (IO_isBlank(line)) cycle ! skip empty lines
|
||||
if (IO_getTag(line,'<','>') /= '') then ! stop at next part
|
||||
line = IO_read(fileUnit, .true.) ! reset IO_read
|
||||
exit
|
||||
endif
|
||||
if (IO_getTag(line,'[',']') /= '') & ! found [section] identifier
|
||||
IO_countSections = IO_countSections + 1_pInt
|
||||
enddo
|
||||
|
||||
end function IO_countSections
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief returns array of tag counts within <part> for at most N [sections]
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function IO_countTagInPart(fileUnit,part,tag,Nsections)
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: Nsections !< maximum number of sections in which tag is searched for
|
||||
integer(pInt), dimension(Nsections) :: IO_countTagInPart
|
||||
integer(pInt), intent(in) :: fileUnit !< file handle
|
||||
character(len=*),intent(in) :: part, & !< part in which tag is searched for
|
||||
tag !< tag to search for
|
||||
|
||||
|
||||
integer(pInt), dimension(Nsections) :: counter
|
||||
integer(pInt), allocatable, dimension(:) :: chunkPos
|
||||
integer(pInt) :: section
|
||||
character(len=65536) :: line
|
||||
|
||||
line = ''
|
||||
counter = 0_pInt
|
||||
section = 0_pInt
|
||||
|
||||
rewind(fileUnit)
|
||||
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= part) ! search for part
|
||||
line = IO_read(fileUnit)
|
||||
enddo
|
||||
|
||||
do while (trim(line) /= IO_EOF)
|
||||
line = IO_read(fileUnit)
|
||||
if (IO_isBlank(line)) cycle ! skip empty lines
|
||||
if (IO_getTag(line,'<','>') /= '') then ! stop at next part
|
||||
line = IO_read(fileUnit, .true.) ! reset IO_read
|
||||
exit
|
||||
endif
|
||||
if (IO_getTag(line,'[',']') /= '') section = section + 1_pInt ! found [section] identifier
|
||||
if (section > 0) then
|
||||
chunkPos = IO_stringPos(line)
|
||||
if (tag == trim(IO_lc(IO_stringValue(line,chunkPos,1_pInt)))) & ! match
|
||||
counter(section) = counter(section) + 1_pInt
|
||||
endif
|
||||
enddo
|
||||
|
||||
IO_countTagInPart = counter
|
||||
|
||||
end function IO_countTagInPart
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief returns array of tag presence within <part> for at most N [sections]
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function IO_spotTagInPart(fileUnit,part,tag,Nsections)
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: Nsections !< maximum number of sections in which tag is searched for
|
||||
logical, dimension(Nsections) :: IO_spotTagInPart
|
||||
integer(pInt), intent(in) :: fileUnit !< file handle
|
||||
character(len=*),intent(in) :: part, & !< part in which tag is searched for
|
||||
tag !< tag to search for
|
||||
|
||||
|
||||
integer(pInt), allocatable, dimension(:) :: chunkPos
|
||||
integer(pInt) :: section
|
||||
character(len=65536) :: line
|
||||
|
||||
IO_spotTagInPart = .false. ! assume to nowhere spot tag
|
||||
section = 0_pInt
|
||||
line = ''
|
||||
|
||||
rewind(fileUnit)
|
||||
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= part) ! search for part
|
||||
line = IO_read(fileUnit)
|
||||
enddo
|
||||
|
||||
do while (trim(line) /= IO_EOF)
|
||||
line = IO_read(fileUnit)
|
||||
if (IO_isBlank(line)) cycle ! skip empty lines
|
||||
foundNextPart: if (IO_getTag(line,'<','>') /= '') then
|
||||
line = IO_read(fileUnit, .true.) ! reset IO_read
|
||||
exit
|
||||
endif foundNextPart
|
||||
if (IO_getTag(line,'[',']') /= '') section = section + 1_pInt ! found [section] identifier
|
||||
if (section > 0_pInt) then
|
||||
chunkPos = IO_stringPos(line)
|
||||
if (tag == trim(IO_lc(IO_stringValue(line,chunkPos,1_pInt)))) & ! match
|
||||
IO_spotTagInPart(section) = .true.
|
||||
endif
|
||||
enddo
|
||||
|
||||
end function IO_spotTagInPart
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief return logical whether tag is present within <part> before any [sections]
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
logical function IO_globalTagInPart(fileUnit,part,tag)
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: fileUnit !< file handle
|
||||
character(len=*),intent(in) :: part, & !< part in which tag is searched for
|
||||
tag !< tag to search for
|
||||
|
||||
integer(pInt), allocatable, dimension(:) :: chunkPos
|
||||
character(len=65536) :: line
|
||||
|
||||
IO_globalTagInPart = .false. ! assume to nowhere spot tag
|
||||
line =''
|
||||
|
||||
rewind(fileUnit)
|
||||
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= part) ! search for part
|
||||
line = IO_read(fileUnit)
|
||||
enddo
|
||||
|
||||
do while (trim(line) /= IO_EOF)
|
||||
line = IO_read(fileUnit)
|
||||
if (IO_isBlank(line)) cycle ! skip empty lines
|
||||
foundNextPart: if (IO_getTag(line,'<','>') /= '') then
|
||||
line = IO_read(fileUnit, .true.) ! reset IO_read
|
||||
exit
|
||||
endif foundNextPart
|
||||
foundFirstSection: if (IO_getTag(line,'[',']') /= '') then
|
||||
line = IO_read(fileUnit, .true.) ! reset IO_read
|
||||
exit
|
||||
endif foundFirstSection
|
||||
chunkPos = IO_stringPos(line)
|
||||
match: if (tag == trim(IO_lc(IO_stringValue(line,chunkPos,1_pInt)))) then
|
||||
IO_globalTagInPart = .true.
|
||||
line = IO_read(fileUnit, .true.) ! reset IO_read
|
||||
exit
|
||||
endif match
|
||||
enddo
|
||||
|
||||
end function IO_globalTagInPart
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief locates all space-separated chunks in given string and returns array containing number
|
||||
!! them and the left/right position to be used by IO_xxxVal
|
||||
|
@ -1513,6 +1426,8 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
|
|||
msg = 'unknown output:'
|
||||
case (106_pInt)
|
||||
msg = 'working directory does not exist:'
|
||||
case (107_pInt)
|
||||
msg = 'line length exceeds limit of 256'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! lattice error messages
|
||||
|
|
287
src/config.f90
287
src/config.f90
|
@ -20,12 +20,17 @@ module config
|
|||
type, public :: tPartitionedStringList
|
||||
type(tPartitionedString) :: string
|
||||
type(tPartitionedStringList), pointer :: next => null()
|
||||
|
||||
contains
|
||||
procedure :: add => add
|
||||
procedure :: show => show
|
||||
procedure :: free => free
|
||||
|
||||
! currently, a finalize is needed for all shapes of tPartitionedStringList.
|
||||
! with Fortran 2015, we can define one recursive elemental function
|
||||
! https://software.intel.com/en-us/forums/intel-visual-fortran-compiler-for-windows/topic/543326
|
||||
final :: finalize, &
|
||||
finalizeArray
|
||||
|
||||
procedure :: keyExists => keyExists
|
||||
procedure :: countKeys => countKeys
|
||||
|
||||
|
@ -37,11 +42,10 @@ module config
|
|||
procedure :: getInts => getInts
|
||||
procedure :: getStrings => getStrings
|
||||
|
||||
|
||||
end type tPartitionedStringList
|
||||
|
||||
type(tPartitionedStringList), public :: emptyList
|
||||
|
||||
type(tPartitionedStringList), public, protected, allocatable, dimension(:) :: & ! QUESTION: rename to config_XXX?
|
||||
type(tPartitionedStringList), public, protected, allocatable, dimension(:) :: &
|
||||
config_phase, &
|
||||
config_microstructure, &
|
||||
config_homogenization, &
|
||||
|
@ -76,7 +80,6 @@ module config
|
|||
MATERIAL_configFile = 'material.config', & !< generic name for material configuration file
|
||||
MATERIAL_localFileExt = 'materialConfig' !< extension of solver job name depending material configuration file
|
||||
|
||||
|
||||
public :: &
|
||||
config_init, &
|
||||
config_deallocate
|
||||
|
@ -92,12 +95,14 @@ subroutine config_init()
|
|||
compiler_version, &
|
||||
compiler_options
|
||||
#endif
|
||||
use prec, only: &
|
||||
pStringLen
|
||||
use DAMASK_interface, only: &
|
||||
getSolverJobName
|
||||
use IO, only: &
|
||||
IO_error, &
|
||||
IO_open_file, &
|
||||
IO_read, &
|
||||
IO_lc, &
|
||||
IO_open_jobFile_stat, &
|
||||
IO_recursiveRead, &
|
||||
IO_getTag, &
|
||||
IO_timeStamp, &
|
||||
IO_EOF
|
||||
|
@ -107,12 +112,13 @@ subroutine config_init()
|
|||
debug_levelBasic
|
||||
|
||||
implicit none
|
||||
integer(pInt), parameter :: FILEUNIT = 200_pInt
|
||||
integer(pInt) :: myDebug
|
||||
integer(pInt) :: myDebug,i
|
||||
|
||||
character(len=65536) :: &
|
||||
character(len=pStringLen) :: &
|
||||
line, &
|
||||
part
|
||||
character(len=pStringLen), dimension(:), allocatable :: fileContent
|
||||
logical :: fileExists
|
||||
|
||||
write(6,'(/,a)') ' <<<+- config init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
|
@ -120,39 +126,40 @@ subroutine config_init()
|
|||
|
||||
myDebug = debug_level(debug_material)
|
||||
|
||||
if (.not. IO_open_jobFile_stat(FILEUNIT,material_localFileExt)) & ! no local material configuration present...
|
||||
call IO_open_file(FILEUNIT,material_configFile) ! ...open material.config file
|
||||
inquire(file=trim(getSolverJobName())//'.'//material_localFileExt,exist=fileExists)
|
||||
if(fileExists) then
|
||||
fileContent = IO_recursiveRead(trim(getSolverJobName())//'.'//material_localFileExt)
|
||||
else
|
||||
inquire(file='material.config',exist=fileExists)
|
||||
if(.not. fileExists) call IO_error(100_pInt,ext_msg='material.config')
|
||||
fileContent = IO_recursiveRead('material.config')
|
||||
endif
|
||||
|
||||
rewind(fileUnit)
|
||||
line = '' ! to have it initialized
|
||||
do while (trim(line) /= IO_EOF)
|
||||
do i = 1_pInt, size(fileContent)
|
||||
line = trim(fileContent(i))
|
||||
part = IO_lc(IO_getTag(line,'<','>'))
|
||||
|
||||
select case (trim(part))
|
||||
|
||||
case (trim(material_partPhase))
|
||||
call parseFile(line,phase_name,config_phase,FILEUNIT)
|
||||
call parseFile(line,phase_name,config_phase,fileContent(i+1:))
|
||||
if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Phase parsed'; flush(6)
|
||||
|
||||
case (trim(material_partMicrostructure))
|
||||
call parseFile(line,microstructure_name,config_microstructure,FILEUNIT)
|
||||
call parseFile(line,microstructure_name,config_microstructure,fileContent(i+1:))
|
||||
if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Microstructure parsed'; flush(6)
|
||||
|
||||
case (trim(material_partCrystallite))
|
||||
call parseFile(line,crystallite_name,config_crystallite,FILEUNIT)
|
||||
call parseFile(line,crystallite_name,config_crystallite,fileContent(i+1:))
|
||||
if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Crystallite parsed'; flush(6)
|
||||
|
||||
case (trim(material_partHomogenization))
|
||||
call parseFile(line,homogenization_name,config_homogenization,FILEUNIT)
|
||||
call parseFile(line,homogenization_name,config_homogenization,fileContent(i+1:))
|
||||
if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Homogenization parsed'; flush(6)
|
||||
|
||||
case (trim(material_partTexture))
|
||||
call parseFile(line,texture_name,config_texture,FILEUNIT)
|
||||
call parseFile(line,texture_name,config_texture,fileContent(i+1:))
|
||||
if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Texture parsed'; flush(6)
|
||||
|
||||
case default
|
||||
line = IO_read(fileUnit)
|
||||
|
||||
end select
|
||||
|
||||
enddo
|
||||
|
@ -173,107 +180,81 @@ end subroutine config_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief parses the material.config file
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine parseFile(line,&
|
||||
sectionNames,part,fileUnit)
|
||||
subroutine parseFile(line,sectionNames,part,&
|
||||
fileContent)
|
||||
use prec, only: &
|
||||
pStringLen
|
||||
use IO, only: &
|
||||
IO_read, &
|
||||
IO_error, &
|
||||
IO_lc, &
|
||||
IO_getTag, &
|
||||
IO_isBlank, &
|
||||
IO_stringValue, &
|
||||
IO_stringPos, &
|
||||
IO_EOF
|
||||
IO_getTag
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: fileUnit
|
||||
character(len=*), dimension(:), allocatable, intent(inout) :: sectionNames
|
||||
type(tPartitionedStringList), allocatable, dimension(:), intent(inout) :: part
|
||||
character(len=65536),intent(out) :: line
|
||||
character(len=pStringLen), intent(out) :: line
|
||||
character(len=64), allocatable, dimension(:), intent(out) :: sectionNames
|
||||
type(tPartitionedStringList), allocatable, dimension(:), intent(out) :: part
|
||||
character(len=pStringLen), dimension(:), intent(in) :: fileContent
|
||||
|
||||
integer(pInt), allocatable, dimension(:) :: chunkPos
|
||||
integer(pInt) :: s
|
||||
character(len=65536) :: devNull
|
||||
character(len=64) :: tag
|
||||
integer(pInt), allocatable, dimension(:) :: partPosition ! position of [] tags + last line in section
|
||||
integer(pInt) :: i, j
|
||||
logical :: echo
|
||||
|
||||
echo = .false.
|
||||
allocate(part(0))
|
||||
allocate(partPosition(0))
|
||||
|
||||
s = 0_pInt
|
||||
do while (trim(line) /= IO_EOF) ! read through sections of material part
|
||||
line = IO_read(fileUnit)
|
||||
if (IO_isBlank(line)) cycle ! skip empty lines
|
||||
foundNextPart: if (IO_getTag(line,'<','>') /= '') then
|
||||
devNull = IO_read(fileUnit, .true.) ! reset IO_read to close any recursively included files
|
||||
exit
|
||||
endif foundNextPart
|
||||
do i = 1_pInt, size(fileContent)
|
||||
line = trim(fileContent(i))
|
||||
if (IO_getTag(line,'<','>') /= '') exit
|
||||
nextSection: if (IO_getTag(line,'[',']') /= '') then
|
||||
s = s + 1_pInt
|
||||
part = [part, emptyList]
|
||||
tag = IO_getTag(line,'[',']')
|
||||
GfortranBug86033: if (.not. allocated(sectionNames)) then
|
||||
allocate(sectionNames(1),source=tag)
|
||||
else GfortranBug86033
|
||||
sectionNames = [sectionNames,tag]
|
||||
endif GfortranBug86033
|
||||
partPosition = [partPosition, i]
|
||||
cycle
|
||||
endif nextSection
|
||||
chunkPos = IO_stringPos(line)
|
||||
tag = IO_lc(IO_stringValue(trim(line),chunkPos,1_pInt)) ! extract key
|
||||
inSection: if (s > 0_pInt) then
|
||||
call part(s)%add(IO_lc(trim(line)))
|
||||
else inSection
|
||||
echo = (trim(tag) == '/echo/')
|
||||
endif inSection
|
||||
if (size(partPosition) < 1_pInt) &
|
||||
echo = (trim(IO_getTag(line,'/','/')) == 'echo') .or. echo
|
||||
enddo
|
||||
|
||||
allocate(sectionNames(size(partPosition)))
|
||||
allocate(part(size(partPosition)))
|
||||
|
||||
partPosition = [partPosition, i] ! needed when actually storing content
|
||||
|
||||
do i = 1_pInt, size(partPosition) -1_pInt
|
||||
sectionNames(i) = trim(adjustl(fileContent(partPosition(i))))
|
||||
do j = partPosition(i) + 1_pInt, partPosition(i+1) -1_pInt
|
||||
call part(i)%add(trim(adjustl(fileContent(j))))
|
||||
enddo
|
||||
if (echo) then
|
||||
do s = 1, size(sectionNames)
|
||||
call part(s)%show()
|
||||
end do
|
||||
end if
|
||||
write(6,*) 'section',i, '"'//trim(sectionNames(i))//'"'
|
||||
call part(i)%show()
|
||||
endif
|
||||
enddo
|
||||
|
||||
end subroutine parseFile
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief deallocates the linked lists that store the content of the configuration files
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine config_deallocate(what)
|
||||
use IO, only: &
|
||||
IO_error
|
||||
|
||||
implicit none
|
||||
character(len=*), intent(in) :: what
|
||||
integer(pInt) :: i
|
||||
|
||||
select case(what)
|
||||
select case(trim(what))
|
||||
|
||||
case('material.config/phase')
|
||||
do i=1, size(config_phase)
|
||||
call config_phase(i)%free
|
||||
enddo
|
||||
deallocate(config_phase)
|
||||
|
||||
case('material.config/microstructure')
|
||||
do i=1, size(config_microstructure)
|
||||
call config_microstructure(i)%free
|
||||
enddo
|
||||
deallocate(config_microstructure)
|
||||
|
||||
case('material.config/crystallite')
|
||||
do i=1, size(config_crystallite)
|
||||
call config_crystallite(i)%free
|
||||
enddo
|
||||
deallocate(config_crystallite)
|
||||
|
||||
case('material.config/homogenization')
|
||||
do i=1, size(config_homogenization)
|
||||
call config_homogenization(i)%free
|
||||
enddo
|
||||
deallocate(config_homogenization)
|
||||
|
||||
case('material.config/texture')
|
||||
do i=1, size(config_texture)
|
||||
call config_texture(i)%free
|
||||
enddo
|
||||
deallocate(config_texture)
|
||||
|
||||
case default
|
||||
|
@ -284,11 +265,17 @@ subroutine config_deallocate(what)
|
|||
end subroutine config_deallocate
|
||||
|
||||
|
||||
!##################################################################################################
|
||||
! The folowing functions are part of the tPartitionedStringList object
|
||||
!##################################################################################################
|
||||
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief add element
|
||||
!> @details Adds a string together with the start/end position of chunks in this string. The new
|
||||
!! element is added at the end of the list. Empty strings are not added. All strings are converted
|
||||
!! to lower case
|
||||
!! to lower case. The data is not stored in the new element but in the current.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine add(this,string)
|
||||
use IO, only: &
|
||||
|
@ -299,19 +286,18 @@ subroutine add(this,string)
|
|||
implicit none
|
||||
class(tPartitionedStringList), target, intent(in) :: this
|
||||
character(len=*), intent(in) :: string
|
||||
type(tPartitionedStringList), pointer :: new, item
|
||||
type(tPartitionedStringList), pointer :: new, temp
|
||||
|
||||
if (IO_isBlank(string)) return
|
||||
|
||||
allocate(new)
|
||||
new%string%val = IO_lc (trim(string))
|
||||
new%string%pos = IO_stringPos(trim(string))
|
||||
|
||||
item => this
|
||||
do while (associated(item%next))
|
||||
item => item%next
|
||||
temp => this
|
||||
do while (associated(temp%next))
|
||||
temp => temp%next
|
||||
enddo
|
||||
item%next => new
|
||||
temp%string%val = IO_lc (trim(string))
|
||||
temp%string%pos = IO_stringPos(trim(string))
|
||||
temp%next => new
|
||||
|
||||
end subroutine add
|
||||
|
||||
|
@ -323,12 +309,12 @@ end subroutine add
|
|||
subroutine show(this)
|
||||
|
||||
implicit none
|
||||
class(tPartitionedStringList) :: this
|
||||
class(tPartitionedStringList), target, intent(in) :: this
|
||||
type(tPartitionedStringList), pointer :: item
|
||||
|
||||
item => this%next
|
||||
do while (associated(item))
|
||||
write(6,'(a)') trim(item%string%val)
|
||||
item => this
|
||||
do while (associated(item%next))
|
||||
write(6,'(a)') ' '//trim(item%string%val)
|
||||
item => item%next
|
||||
end do
|
||||
|
||||
|
@ -336,28 +322,55 @@ end subroutine show
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief cleans entire list
|
||||
!> @details list head is remains alive
|
||||
!> @brief empties list and frees associated memory
|
||||
!> @details explicit interface to reset list. Triggers final statement (and following chain reaction)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine free(this)
|
||||
|
||||
implicit none
|
||||
class(tPartitionedStringList), target, intent(in) :: this
|
||||
type(tPartitionedStringList), pointer :: new, item
|
||||
class(tPartitionedStringList), intent(inout) :: this
|
||||
|
||||
if (.not. associated(this%next)) return
|
||||
|
||||
item => this%next
|
||||
do while (associated(item%next))
|
||||
new => item
|
||||
deallocate(item)
|
||||
item => new%next
|
||||
enddo
|
||||
deallocate(item)
|
||||
if(associated(this%next)) deallocate(this%next)
|
||||
|
||||
end subroutine free
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief empties list and frees associated memory
|
||||
!> @details called when variable goes out of scope. Triggers chain reaction for list
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
recursive subroutine finalize(this)
|
||||
|
||||
implicit none
|
||||
type(tPartitionedStringList), intent(inout) :: this
|
||||
|
||||
if(associated(this%next)) deallocate(this%next)
|
||||
|
||||
end subroutine finalize
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief cleans entire array of linke lists
|
||||
!> @details called when variable goes out of scope.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine finalizeArray(this)
|
||||
|
||||
implicit none
|
||||
integer :: i
|
||||
type(tPartitionedStringList), intent(inout), dimension(:) :: this
|
||||
type(tPartitionedStringList), pointer :: temp ! bug in Gfortran?
|
||||
|
||||
do i=1, size(this)
|
||||
!if (associated(this(i)%next)) then
|
||||
temp => this(i)%next
|
||||
!deallocate(this(i)) !internal compiler error: in gfc_build_final_call, at fortran/trans.c:975
|
||||
deallocate(temp)
|
||||
!endif
|
||||
enddo
|
||||
|
||||
end subroutine finalizeArray
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief reports wether a given key (string value at first position) exists in the list
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
@ -366,14 +379,14 @@ logical function keyExists(this,key)
|
|||
IO_stringValue
|
||||
|
||||
implicit none
|
||||
class(tPartitionedStringList), intent(in) :: this
|
||||
class(tPartitionedStringList), target, intent(in) :: this
|
||||
character(len=*), intent(in) :: key
|
||||
type(tPartitionedStringList), pointer :: item
|
||||
|
||||
keyExists = .false.
|
||||
|
||||
item => this%next
|
||||
do while (associated(item) .and. .not. keyExists)
|
||||
item => this
|
||||
do while (associated(item%next) .and. .not. keyExists)
|
||||
keyExists = trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)
|
||||
item => item%next
|
||||
end do
|
||||
|
@ -391,14 +404,14 @@ integer(pInt) function countKeys(this,key)
|
|||
|
||||
implicit none
|
||||
|
||||
class(tPartitionedStringList), intent(in) :: this
|
||||
class(tPartitionedStringList), target, intent(in) :: this
|
||||
character(len=*), intent(in) :: key
|
||||
type(tPartitionedStringList), pointer :: item
|
||||
|
||||
countKeys = 0_pInt
|
||||
|
||||
item => this%next
|
||||
do while (associated(item))
|
||||
item => this
|
||||
do while (associated(item%next))
|
||||
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) &
|
||||
countKeys = countKeys + 1_pInt
|
||||
item => item%next
|
||||
|
@ -419,7 +432,7 @@ real(pReal) function getFloat(this,key,defaultVal)
|
|||
IO_FloatValue
|
||||
|
||||
implicit none
|
||||
class(tPartitionedStringList), intent(in) :: this
|
||||
class(tPartitionedStringList), target, intent(in) :: this
|
||||
character(len=*), intent(in) :: key
|
||||
real(pReal), intent(in), optional :: defaultVal
|
||||
type(tPartitionedStringList), pointer :: item
|
||||
|
@ -428,8 +441,8 @@ real(pReal) function getFloat(this,key,defaultVal)
|
|||
found = present(defaultVal)
|
||||
if (found) getFloat = defaultVal
|
||||
|
||||
item => this%next
|
||||
do while (associated(item))
|
||||
item => this
|
||||
do while (associated(item%next))
|
||||
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
|
||||
found = .true.
|
||||
if (item%string%pos(1) < 2_pInt) call IO_error(143_pInt,ext_msg=key)
|
||||
|
@ -455,7 +468,7 @@ integer(pInt) function getInt(this,key,defaultVal)
|
|||
IO_IntValue
|
||||
|
||||
implicit none
|
||||
class(tPartitionedStringList), intent(in) :: this
|
||||
class(tPartitionedStringList), target, intent(in) :: this
|
||||
character(len=*), intent(in) :: key
|
||||
integer(pInt), intent(in), optional :: defaultVal
|
||||
type(tPartitionedStringList), pointer :: item
|
||||
|
@ -464,8 +477,8 @@ integer(pInt) function getInt(this,key,defaultVal)
|
|||
found = present(defaultVal)
|
||||
if (found) getInt = defaultVal
|
||||
|
||||
item => this%next
|
||||
do while (associated(item))
|
||||
item => this
|
||||
do while (associated(item%next))
|
||||
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
|
||||
found = .true.
|
||||
if (item%string%pos(1) < 2_pInt) call IO_error(143_pInt,ext_msg=key)
|
||||
|
@ -491,7 +504,7 @@ character(len=65536) function getString(this,key,defaultVal,raw)
|
|||
IO_stringValue
|
||||
|
||||
implicit none
|
||||
class(tPartitionedStringList), intent(in) :: this
|
||||
class(tPartitionedStringList), target, intent(in) :: this
|
||||
character(len=*), intent(in) :: key
|
||||
character(len=65536), intent(in), optional :: defaultVal
|
||||
logical, intent(in), optional :: raw
|
||||
|
@ -506,8 +519,8 @@ character(len=65536) function getString(this,key,defaultVal,raw)
|
|||
if (len_trim(getString) /= len_trim(defaultVal)) call IO_error(0_pInt,ext_msg='getString')
|
||||
endif
|
||||
|
||||
item => this%next
|
||||
do while (associated(item))
|
||||
item => this
|
||||
do while (associated(item%next))
|
||||
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
|
||||
found = .true.
|
||||
if (item%string%pos(1) < 2_pInt) call IO_error(143_pInt,ext_msg=key)
|
||||
|
@ -539,7 +552,7 @@ function getFloats(this,key,defaultVal,requiredShape)
|
|||
|
||||
implicit none
|
||||
real(pReal), dimension(:), allocatable :: getFloats
|
||||
class(tPartitionedStringList), intent(in) :: this
|
||||
class(tPartitionedStringList), target, intent(in) :: this
|
||||
character(len=*), intent(in) :: key
|
||||
real(pReal), dimension(:), intent(in), optional :: defaultVal
|
||||
integer(pInt), dimension(:), intent(in), optional :: requiredShape
|
||||
|
@ -553,8 +566,8 @@ function getFloats(this,key,defaultVal,requiredShape)
|
|||
|
||||
allocate(getFloats(0))
|
||||
|
||||
item => this%next
|
||||
do while (associated(item))
|
||||
item => this
|
||||
do while (associated(item%next))
|
||||
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
|
||||
found = .true.
|
||||
if (.not. cumulative) getFloats = [real(pReal)::]
|
||||
|
@ -586,7 +599,7 @@ function getInts(this,key,defaultVal,requiredShape)
|
|||
|
||||
implicit none
|
||||
integer(pInt), dimension(:), allocatable :: getInts
|
||||
class(tPartitionedStringList), intent(in) :: this
|
||||
class(tPartitionedStringList), target, intent(in) :: this
|
||||
character(len=*), intent(in) :: key
|
||||
integer(pInt), dimension(:), intent(in), optional :: defaultVal, &
|
||||
requiredShape
|
||||
|
@ -600,8 +613,8 @@ function getInts(this,key,defaultVal,requiredShape)
|
|||
|
||||
allocate(getInts(0))
|
||||
|
||||
item => this%next
|
||||
do while (associated(item))
|
||||
item => this
|
||||
do while (associated(item%next))
|
||||
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
|
||||
found = .true.
|
||||
if (.not. cumulative) getInts = [integer(pInt)::]
|
||||
|
@ -633,7 +646,7 @@ function getStrings(this,key,defaultVal,requiredShape,raw)
|
|||
|
||||
implicit none
|
||||
character(len=65536),dimension(:), allocatable :: getStrings
|
||||
class(tPartitionedStringList), intent(in) :: this
|
||||
class(tPartitionedStringList), target, intent(in) :: this
|
||||
character(len=*), intent(in) :: key
|
||||
character(len=65536),dimension(:), intent(in), optional :: defaultVal
|
||||
integer(pInt), dimension(:), intent(in), optional :: requiredShape
|
||||
|
@ -649,8 +662,8 @@ function getStrings(this,key,defaultVal,requiredShape,raw)
|
|||
whole = merge(raw,.false.,present(raw))
|
||||
found = .false.
|
||||
|
||||
item => this%next
|
||||
do while (associated(item))
|
||||
item => this
|
||||
do while (associated(item%next))
|
||||
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
|
||||
found = .true.
|
||||
if (allocated(getStrings) .and. .not. cumulative) deallocate(getStrings)
|
||||
|
|
|
@ -58,14 +58,15 @@ subroutine constitutive_init()
|
|||
IO_write_jobIntFile, &
|
||||
IO_timeStamp
|
||||
use config, only: &
|
||||
config_deallocate
|
||||
config_phase
|
||||
use mesh, only: &
|
||||
FE_geomtype
|
||||
use config, only: &
|
||||
material_Nphase, &
|
||||
material_localFileExt, &
|
||||
phase_name, &
|
||||
material_configFile
|
||||
material_configFile, &
|
||||
config_deallocate
|
||||
use material, only: &
|
||||
material_phase, &
|
||||
phase_plasticity, &
|
||||
|
@ -138,7 +139,7 @@ subroutine constitutive_init()
|
|||
use kinematics_hydrogen_strain
|
||||
|
||||
implicit none
|
||||
integer(pInt), parameter :: FILEUNIT = 200_pInt
|
||||
integer(pInt), parameter :: FILEUNIT = 204_pInt
|
||||
integer(pInt) :: &
|
||||
o, & !< counter in output loop
|
||||
ph, & !< counter in phase loop
|
||||
|
|
|
@ -172,9 +172,9 @@ subroutine crystallite_init
|
|||
IO_error
|
||||
use material
|
||||
use config, only: &
|
||||
config_deallocate, &
|
||||
config_crystallite, &
|
||||
crystallite_name, &
|
||||
config_deallocate
|
||||
crystallite_name
|
||||
use constitutive, only: &
|
||||
constitutive_initialFi, &
|
||||
constitutive_microstructure ! derived (shortcut) quantities of given state
|
||||
|
|
|
@ -102,7 +102,7 @@ subroutine debug_init
|
|||
IO_EOF
|
||||
|
||||
implicit none
|
||||
integer(pInt), parameter :: FILEUNIT = 300_pInt
|
||||
integer(pInt), parameter :: FILEUNIT = 330_pInt
|
||||
|
||||
integer(pInt) :: i, what
|
||||
integer(pInt), allocatable, dimension(:) :: chunkPos
|
||||
|
|
|
@ -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, &
|
||||
|
@ -90,20 +79,15 @@ 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, &
|
||||
material_localFileExt, &
|
||||
config_deallocate, &
|
||||
config_homogenization, &
|
||||
homogenization_name
|
||||
use material
|
||||
|
@ -412,33 +396,6 @@ 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 &
|
||||
|
@ -450,7 +407,6 @@ 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()
|
||||
|
@ -474,9 +430,6 @@ 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)
|
||||
|
@ -905,33 +858,18 @@ 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
|
||||
|
||||
|
@ -944,55 +882,6 @@ 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)
|
||||
|
@ -1028,7 +917,6 @@ subroutine materialpoint_postResults
|
|||
enddo IpLooping
|
||||
enddo elementLooping
|
||||
!$OMP END PARALLEL DO
|
||||
#endif
|
||||
|
||||
end subroutine materialpoint_postResults
|
||||
|
||||
|
|
|
@ -1278,7 +1278,7 @@ subroutine lattice_init
|
|||
integer(pInt) :: Nphases
|
||||
character(len=65536) :: &
|
||||
tag = ''
|
||||
integer(pInt) :: section = 0_pInt,i,p
|
||||
integer(pInt) :: i,p
|
||||
real(pReal), dimension(:), allocatable :: &
|
||||
temp, &
|
||||
CoverA, & !< c/a ratio for low symmetry type lattice
|
||||
|
@ -1388,9 +1388,9 @@ subroutine lattice_init
|
|||
tag = config_phase(p)%getString('trans_lattice_structure',defaultVal=tag)
|
||||
select case(trim(tag))
|
||||
case('bcc')
|
||||
trans_lattice_structure(section) = LATTICE_bcc_ID
|
||||
trans_lattice_structure(p) = LATTICE_bcc_ID
|
||||
case('hex','hexagonal')
|
||||
trans_lattice_structure(section) = LATTICE_hex_ID
|
||||
trans_lattice_structure(p) = LATTICE_hex_ID
|
||||
end select
|
||||
|
||||
lattice_C66(1,1,p) = config_phase(p)%getFloat('c11',defaultVal=0.0_pReal)
|
||||
|
|
|
@ -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
|
||||
|
@ -360,8 +360,7 @@ subroutine material_init()
|
|||
homogenization_name, &
|
||||
microstructure_name, &
|
||||
phase_name, &
|
||||
texture_name, &
|
||||
config_deallocate
|
||||
texture_name
|
||||
use mesh, only: &
|
||||
mesh_maxNips, &
|
||||
mesh_NcpElems, &
|
||||
|
@ -370,7 +369,7 @@ subroutine material_init()
|
|||
FE_geomtype
|
||||
|
||||
implicit none
|
||||
integer(pInt), parameter :: FILEUNIT = 200_pInt
|
||||
integer(pInt), parameter :: FILEUNIT = 210_pInt
|
||||
integer(pInt) :: m,c,h, myDebug, myPhase, myHomog
|
||||
integer(pInt) :: &
|
||||
g, & !< grain number
|
||||
|
@ -469,7 +468,6 @@ subroutine material_init()
|
|||
endif debugOut
|
||||
|
||||
call material_populateGrains
|
||||
call config_deallocate('material.config/microstructure')
|
||||
|
||||
allocate(phaseAt ( homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0_pInt)
|
||||
allocate(phasememberAt ( homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0_pInt)
|
||||
|
@ -921,8 +919,8 @@ subroutine material_parseTexture
|
|||
IO_floatValue, &
|
||||
IO_stringValue
|
||||
use config, only: &
|
||||
config_texture, &
|
||||
config_deallocate
|
||||
config_deallocate, &
|
||||
config_texture
|
||||
use math, only: &
|
||||
inRad, &
|
||||
math_sampleRandomOri, &
|
||||
|
@ -1093,6 +1091,7 @@ subroutine material_populateGrains
|
|||
use config, only: &
|
||||
config_homogenization, &
|
||||
config_microstructure, &
|
||||
config_deallocate, &
|
||||
homogenization_name, &
|
||||
microstructure_name
|
||||
use IO, only: &
|
||||
|
@ -1429,6 +1428,7 @@ subroutine material_populateGrains
|
|||
deallocate(texture_transformation)
|
||||
deallocate(Nelems)
|
||||
deallocate(elemsOfHomogMicro)
|
||||
call config_deallocate('material.config/microstructure')
|
||||
|
||||
end subroutine material_populateGrains
|
||||
|
||||
|
|
|
@ -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
33
src/mesh.f90
|
@ -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',
|
||||
|
|
|
@ -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
|
|
@ -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))
|
||||
|
|
|
@ -241,29 +241,29 @@ subroutine plastic_phenopowerlaw_init
|
|||
select case(outputs(i))
|
||||
case ('resistance_slip')
|
||||
outputID = resistance_slip_ID
|
||||
outputSize = sum(prm%Nslip)
|
||||
outputSize = prm%totalNslip
|
||||
case ('accumulatedshear_slip')
|
||||
outputID = accumulatedshear_slip_ID
|
||||
outputSize = sum(prm%Nslip)
|
||||
outputSize = prm%totalNslip
|
||||
case ('shearrate_slip')
|
||||
outputID = shearrate_slip_ID
|
||||
outputSize = sum(prm%Nslip)
|
||||
outputSize = prm%totalNslip
|
||||
case ('resolvedstress_slip')
|
||||
outputID = resolvedstress_slip_ID
|
||||
outputSize = sum(prm%Nslip)
|
||||
outputSize = prm%totalNslip
|
||||
|
||||
case ('resistance_twin')
|
||||
outputID = resistance_twin_ID
|
||||
outputSize = sum(prm%Ntwin)
|
||||
outputSize = prm%totalNtwin
|
||||
case ('accumulatedshear_twin')
|
||||
outputID = accumulatedshear_twin_ID
|
||||
outputSize = sum(prm%Ntwin)
|
||||
outputSize = prm%totalNtwin
|
||||
case ('shearrate_twin')
|
||||
outputID = shearrate_twin_ID
|
||||
outputSize = sum(prm%Ntwin)
|
||||
outputSize = prm%totalNtwin
|
||||
case ('resolvedstress_twin')
|
||||
outputID = resolvedstress_twin_ID
|
||||
outputSize = sum(prm%Ntwin)
|
||||
outputSize = prm%totalNtwin
|
||||
|
||||
case ('totalvolfrac_twin')
|
||||
outputID = totalvolfrac_twin_ID
|
||||
|
|
|
@ -7,6 +7,7 @@
|
|||
!> @brief setting precision for real and int type
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
module prec
|
||||
! ToDo: use, intrinsic :: iso_fortran_env, only : I8 => int64, WP => real64
|
||||
implicit none
|
||||
private
|
||||
#if (FLOAT==8)
|
||||
|
@ -23,14 +24,15 @@ module prec
|
|||
NO SUITABLE PRECISION FOR INTEGER SELECTED, STOPPING COMPILATION
|
||||
#endif
|
||||
|
||||
integer, parameter, public :: pStringLen = 256 !< default string lenth
|
||||
integer, parameter, public :: pLongInt = 8 !< integer representation 64 bit (was selected_int_kind(12), number with at least up to +- 1e12)
|
||||
real(pReal), parameter, public :: tol_math_check = 1.0e-8_pReal !< tolerance for internal math self-checks (rotation)
|
||||
|
||||
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
|
||||
|
|
|
@ -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
|
||||
|
||||
|
|
|
@ -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 :: &
|
||||
|
|
Loading…
Reference in New Issue