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Merge branch 'SolverRestart-in-HDF5' into 'development' 

Solver restart in hdf5

See merge request damask/DAMASK!74
This commit is contained in:
Karo 2019-04-30 19:18:34 +02:00
parent c3a7b7b068 5a0e408d59
commit 1c762860f8
6 changed files with 966 additions and 1031 deletions
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2
src/CPFEM2.f90
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@ -257,7 +257,7 @@ subroutine CPFEM_age()
write(6,'(a)') '<< CPFEM >> writing restart variables of last converged step to hdf5 file'
write(rankStr,'(a1,i0)')'_',worldrank
fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5','w')
fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5','a')
call HDF5_write(fileHandle,material_phase, 'recordedPhase')
call HDF5_write(fileHandle,crystallite_F0, 'convergedF')

4
src/grid/grid_damage_spectral.f90
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@ -64,7 +64,6 @@ subroutine grid_damage_spectral_init
worldsize, &
petsc_options
implicit none
PetscInt, dimension(worldsize) :: localK
integer :: i, j, k, cell
DM :: damage_grid
@ -164,7 +163,6 @@ function grid_damage_spectral_solution(timeinc,timeinc_old,loadCaseTime) result(
use damage_nonlocal, only: &
damage_nonlocal_putNonLocalDamage
implicit none
real(pReal), intent(in) :: &
timeinc, & !< increment in time for current solution
timeinc_old, & !< increment in time of last increment
@ -236,7 +234,6 @@ subroutine grid_damage_spectral_forward
damage_nonlocal_getDiffusion33, &
damage_nonlocal_getMobility
implicit none
integer :: i, j, k, cell
DM :: dm_local
PetscScalar, dimension(:,:,:), pointer :: x_scal
@ -301,7 +298,6 @@ subroutine formResidual(in,x_scal,f_scal,dummy,ierr)
damage_nonlocal_getDiffusion33, &
damage_nonlocal_getMobility
implicit none
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: &
in
PetscScalar, dimension( &

1017
src/grid/grid_mech_FEM.f90
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File diff suppressed because it is too large Load Diff

111
src/grid/grid_mech_spectral_basic.f90
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@ -7,6 +7,8 @@
module grid_mech_spectral_basic
#include <petsc/finclude/petscsnes.h>
#include <petsc/finclude/petscdmda.h>
use DAMASK_interface
use HDF5_utilities
use PETScdmda
use PETScsnes
use prec, only: &
@ -25,8 +27,7 @@ module grid_mech_spectral_basic
type(tSolutionParams), private :: params
type, private :: tNumerics
logical :: &
update_gamma !< update gamma operator with current stiffness
logical :: update_gamma !< update gamma operator with current stiffness
end type tNumerics
type(tNumerics) :: num ! numerics parameters. Better name?
@ -40,8 +41,8 @@ module grid_mech_spectral_basic
!--------------------------------------------------------------------------------------------------
! common pointwise data
real(pReal), private, dimension(:,:,:,:,:), allocatable :: &
F_lastInc, &
Fdot
F_lastInc, & !< field of previous compatible deformation gradients
Fdot !< field of assumed rate of compatible deformation gradient
!--------------------------------------------------------------------------------------------------
! stress, stiffness and compliance average etc.
@ -99,23 +100,22 @@ subroutine grid_mech_spectral_basic_init
use spectral_utilities, only: &
utilities_constitutiveResponse, &
utilities_updateGamma, &
utilities_updateIPcoords, &
wgt
utilities_updateIPcoords
use mesh, only: &
grid, &
grid3
use math, only: &
math_invSym3333
implicit none
real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: P
real(pReal), dimension(3,3) :: &
temp33_Real = 0.0_pReal
PetscErrorCode :: ierr
PetscScalar, pointer, dimension(:,:,:,:) :: &
F ! pointer to solution data
F ! pointer to solution data
PetscInt, dimension(worldsize) :: localK
integer(HID_T) :: fileHandle
integer :: fileUnit
character(len=1024) :: rankStr
@ -163,7 +163,7 @@ subroutine grid_mech_spectral_basic_init
call DMcreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
call DMDASNESsetFunctionLocal(da,INSERT_VALUES,formResidual,PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector
CHKERRQ(ierr)
call SNESsetConvergenceTest(snes,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr)! specify custom convergence check function "converged"
call SNESsetConvergenceTest(snes,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "converged"
CHKERRQ(ierr)
call SNESsetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional CLI arguments
@ -174,19 +174,14 @@ subroutine grid_mech_spectral_basic_init
restart: if (restartInc > 0) then
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') ' reading values of increment ', restartInc, ' from file'
fileUnit = IO_open_jobFile_binary('F_aim')
read(fileUnit) F_aim; close(fileUnit)
fileUnit = IO_open_jobFile_binary('F_aim_lastInc')
read(fileUnit) F_aim_lastInc; close(fileUnit)
fileUnit = IO_open_jobFile_binary('F_aimDot')
read(fileUnit) F_aimDot; close(fileUnit)
write(rankStr,'(a1,i0)')'_',worldrank
fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5')
fileUnit = IO_open_jobFile_binary('F'//trim(rankStr))
read(fileUnit) F; close (fileUnit)
fileUnit = IO_open_jobFile_binary('F_lastInc'//trim(rankStr))
read(fileUnit) F_lastInc; close (fileUnit)
call HDF5_read(fileHandle,F_aim, 'F_aim')
call HDF5_read(fileHandle,F_aim_lastInc,'F_aim_lastInc')
call HDF5_read(fileHandle,F_aimDot, 'F_aimDot')
call HDF5_read(fileHandle,F, 'F')
call HDF5_read(fileHandle,F_lastInc, 'F_lastInc')
elseif (restartInc == 0) then restart
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
@ -203,15 +198,15 @@ subroutine grid_mech_spectral_basic_init
restartRead: if (restartInc > 0) then
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') 'reading more values of increment ', restartInc, ' from file'
fileUnit = IO_open_jobFile_binary('C_volAvg')
read(fileUnit) C_volAvg; close(fileUnit)
fileUnit = IO_open_jobFile_binary('C_volAvgLastInv')
read(fileUnit) C_volAvgLastInc; close(fileUnit)
call HDF5_read(fileHandle,C_volAvg, 'C_volAvg')
call HDF5_read(fileHandle,C_volAvgLastInc,'C_volAvgLastInc')
call HDF5_closeFile(fileHandle)
fileUnit = IO_open_jobFile_binary('C_ref')
read(fileUnit) C_minMaxAvg; close(fileUnit)
endif restartRead
call Utilities_updateGamma(C_minMaxAvg,.true.)
call utilities_updateGamma(C_minMaxAvg,.true.)
end subroutine grid_mech_spectral_basic_init
@ -228,8 +223,6 @@ function grid_mech_spectral_basic_solution(incInfoIn,timeinc,timeinc_old,stress_
restartWrite, &
terminallyIll
implicit none
!--------------------------------------------------------------------------------------------------
! input data for solution
character(len=*), intent(in) :: &
@ -251,8 +244,8 @@ function grid_mech_spectral_basic_solution(incInfoIn,timeinc,timeinc_old,stress_
!--------------------------------------------------------------------------------------------------
! update stiffness (and gamma operator)
S = Utilities_maskedCompliance(rotation_BC,stress_BC%maskLogical,C_volAvg)
if (num%update_gamma) call Utilities_updateGamma(C_minMaxAvg,restartWrite)
S = utilities_maskedCompliance(rotation_BC,stress_BC%maskLogical,C_volAvg)
if (num%update_gamma) call utilities_updateGamma(C_minMaxAvg,restartWrite)
!--------------------------------------------------------------------------------------------------
! set module wide available data
@ -306,7 +299,6 @@ subroutine grid_mech_spectral_basic_forward(guess,timeinc,timeinc_old,loadCaseTi
use FEsolving, only: &
restartWrite
implicit none
logical, intent(in) :: &
guess
real(pReal), intent(in) :: &
@ -321,7 +313,7 @@ subroutine grid_mech_spectral_basic_forward(guess,timeinc,timeinc_old,loadCaseTi
PetscErrorCode :: ierr
PetscScalar, dimension(:,:,:,:), pointer :: F
integer :: fileUnit
integer(HID_T) :: fileHandle
character(len=32) :: rankStr
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
@ -331,29 +323,24 @@ subroutine grid_mech_spectral_basic_forward(guess,timeinc,timeinc_old,loadCaseTi
C_minMaxAvg = C_minMaxAvgLastInc ! QUESTION: where is this required?
else
!--------------------------------------------------------------------------------------------------
! restart information for spectral solver
if (restartWrite) then ! QUESTION: where is this logical properly set?
write(6,'(/,a)') ' writing converged results for restart'
flush(6)
if (worldrank == 0) then
fileUnit = IO_open_jobFile_binary('C_volAvg','w')
write(fileUnit) C_volAvg; close(fileUnit)
fileUnit = IO_open_jobFile_binary('C_volAvgLastInv','w')
write(fileUnit) C_volAvgLastInc; close(fileUnit)
fileUnit = IO_open_jobFile_binary('F_aim','w')
write(fileUnit) F_aim; close(fileUnit)
fileUnit = IO_open_jobFile_binary('F_aim_lastInc','w')
write(fileUnit) F_aim_lastInc; close(fileUnit)
fileUnit = IO_open_jobFile_binary('F_aimDot','w')
write(fileUnit) F_aimDot; close(fileUnit)
endif
! restart information for spectral solver
if (restartWrite) then
write(6,'(/,a)') ' writing converged results for restart';flush(6)
write(rankStr,'(a1,i0)')'_',worldrank
fileUnit = IO_open_jobFile_binary('F'//trim(rankStr),'w')
write(fileUnit) F; close (fileUnit)
fileUnit = IO_open_jobFile_binary('F_lastInc'//trim(rankStr),'w')
write(fileUnit) F_lastInc; close (fileUnit)
fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5','w')
call HDF5_write(fileHandle,F_aim, 'F_aim')
call HDF5_write(fileHandle,F_aim_lastInc,'F_aim_lastInc')
call HDF5_write(fileHandle,F_aimDot, 'F_aimDot')
call HDF5_write(fileHandle,F, 'F')
call HDF5_write(fileHandle,F_lastInc, 'F_lastInc')
call HDF5_write(fileHandle,C_volAvg, 'C_volAvg')
call HDF5_write(fileHandle,C_volAvgLastInc,'C_volAvgLastInc')
call HDF5_write(fileHandle,C_minMaxAvg, 'C_minMaxAvg')
call HDF5_closeFile(fileHandle)
endif
call CPFEM_age ! age state and kinematics
@ -399,7 +386,7 @@ end subroutine grid_mech_spectral_basic_forward
!--------------------------------------------------------------------------------------------------
!> @brief convergence check
!--------------------------------------------------------------------------------------------------
subroutine converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dummy,ierr)
use numerics, only: &
itmax, &
itmin, &
@ -410,13 +397,12 @@ subroutine converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
use FEsolving, only: &
terminallyIll
implicit none
SNES :: snes_local
PetscInt :: PETScIter
PetscReal :: &
xnorm, & ! not used
snorm, & ! not used
fnorm ! not used
PetscInt, intent(in) :: PETScIter
PetscReal, intent(in) :: &
devNull1, &
devNull2, &
devNull3
SNESConvergedReason :: reason
PetscObject :: dummy
PetscErrorCode :: ierr
@ -452,7 +438,7 @@ end subroutine converged
!--------------------------------------------------------------------------------------------------
!> @brief forms the basic residual vector
!> @brief forms the residual vector
!--------------------------------------------------------------------------------------------------
subroutine formResidual(in, F, &
residuum, dummy, ierr)
@ -481,7 +467,6 @@ subroutine formResidual(in, F, &
use FEsolving, only: &
terminallyIll
implicit none
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in !< DMDA info (needs to be named "in" for macros like XRANGE to work)
PetscScalar, dimension(3,3,XG_RANGE,YG_RANGE,ZG_RANGE), &
intent(in) :: F !< deformation gradient field
@ -515,7 +500,7 @@ subroutine formResidual(in, F, &
!--------------------------------------------------------------------------------------------------
! evaluate constitutive response
call Utilities_constitutiveResponse(residuum, & ! "residuum" gets field of first PK stress (to save memory)
call utilities_constitutiveResponse(residuum, & ! "residuum" gets field of first PK stress (to save memory)
P_av,C_volAvg,C_minMaxAvg, &
F,params%timeinc,params%rotation_BC)
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)

859
src/grid/grid_mech_spectral_polarisation.f90
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File diff suppressed because it is too large Load Diff

4
src/grid/grid_thermal_spectral.f90
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@ -69,7 +69,6 @@ subroutine grid_thermal_spectral_init
worldsize, &
petsc_options
implicit none
PetscInt, dimension(worldsize) :: localK
integer :: i, j, k, cell
DM :: thermal_grid
@ -167,7 +166,6 @@ function grid_thermal_spectral_solution(timeinc,timeinc_old,loadCaseTime) result
use thermal_conduction, only: &
thermal_conduction_putTemperatureAndItsRate
implicit none
real(pReal), intent(in) :: &
timeinc, & !< increment in time for current solution
timeinc_old, & !< increment in time of last increment
@ -242,7 +240,6 @@ subroutine grid_thermal_spectral_forward
thermal_conduction_getMassDensity, &
thermal_conduction_getSpecificHeat
implicit none
integer :: i, j, k, cell
DM :: dm_local
PetscScalar, dimension(:,:,:), pointer :: x_scal
@ -311,7 +308,6 @@ subroutine formResidual(in,x_scal,f_scal,dummy,ierr)
thermal_conduction_getMassDensity, &
thermal_conduction_getSpecificHeat
implicit none
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: &
in
PetscScalar, dimension( &