!--------------------------------------------------------------------------------------------------
! $Id: DAMASK_spectral_SolverAL.f90 1654 2012-08-03 09:25:48Z MPIE\m.diehl $
!--------------------------------------------------------------------------------------------------
!> @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 Basic scheme PETSc solver
!--------------------------------------------------------------------------------------------------
module DAMASK_spectral_SolverBasicPETSC
use prec, only: &
pInt, &
pReal
use math, only: &
math_I3
use DAMASK_spectral_Utilities, only: &
tSolutionState
implicit none
#include <finclude/petscsys.h>
#include <finclude/petscvec.h>
#include <finclude/petscdmda.h>
#include <finclude/petscis.h>
#include <finclude/petscmat.h>
#include <finclude/petscksp.h>
#include <finclude/petscpc.h>
#include <finclude/petscsnes.h>
#include <finclude/petscvec.h90>
#include <finclude/petscdmda.h90>
#include <finclude/petscsnes.h90>
character (len=*), parameter, public :: &
DAMASK_spectral_SolverBasicPETSC_label = 'basicpetsc'
!--------------------------------------------------------------------------------------------------
! derived types
type tSolutionParams
real(pReal), dimension(3,3) :: P_BC, rotation_BC
real(pReal) :: timeinc
end type tSolutionParams
type(tSolutionParams), private :: params
!--------------------------------------------------------------------------------------------------
! PETSc data
DM, private :: da
SNES, private :: snes
Vec, private :: solution_vec
!--------------------------------------------------------------------------------------------------
! common pointwise data
real(pReal), private, dimension(:,:,:,:,:), allocatable :: F_lastInc, Fdot
real(pReal), private, dimension(:,:,:,:), allocatable :: coordinates
real(pReal), private, dimension(:,:,:), allocatable :: temperature
!--------------------------------------------------------------------------------------------------
! stress, stiffness and compliance average etc.
real(pReal), private, dimension(3,3) :: &
F_aim = math_I3, &
F_aim_lastInc = math_I3, &
P_av
character(len=1024), private :: incInfo
real(pReal), private, dimension(3,3,3,3) :: &
C = 0.0_pReal, C_lastInc= 0.0_pReal, &
S = 0.0_pReal
real(pReal), private :: err_stress, err_div
logical, private :: ForwardData
real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates all neccessary fields and fills them with data, potentially from restart info
!--------------------------------------------------------------------------------------------------
subroutine BasicPETSC_init()
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_read_JobBinaryFile, &
IO_write_JobBinaryFile
use FEsolving, only: &
restartInc
use DAMASK_interface, only: &
getSolverJobName
use DAMASK_spectral_Utilities, only: &
Utilities_init, &
Utilities_constitutiveResponse, &
Utilities_updateGamma, &
debugRestart
use numerics, only: &
petsc_options
use mesh, only: &
res, &
geomdim, &
mesh_NcpElems
use math, only: &
math_invSym3333
implicit none
integer(pInt) :: i,j,k
real(pReal), dimension(:,:,:,:,:), allocatable :: P
PetscErrorCode :: ierr_psc
PetscObject :: dummy
PetscMPIInt :: rank
PetscScalar, pointer :: xx_psc(:,:,:,:), F(:,:,:,:)
call Utilities_init()
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverBasicPETSc init -+>>>'
write(6,'(a)') ' $Id: DAMASK_spectral_SolverBasicPETSC.f90 1654 2012-08-03 09:25:48Z MPIE\m.diehl $'
#include "compilation_info.f90"
write(6,'(a)') ''
allocate (F_lastInc (3,3, res(1), res(2),res(3)), source = 0.0_pReal)
allocate (Fdot (3,3, res(1), res(2),res(3)), source = 0.0_pReal)
allocate (P (3,3, res(1), res(2),res(3)), source = 0.0_pReal)
allocate (coordinates( res(1), res(2),res(3),3), source = 0.0_pReal)
allocate (temperature( res(1), res(2),res(3)), source = 0.0_pReal)
!--------------------------------------------------------------------------------------------------
! PETSc Init
call PetscInitialize(PETSC_NULL_CHARACTER,ierr_psc)
call MPI_Comm_rank(PETSC_COMM_WORLD,rank,ierr_psc)
call SNESCreate(PETSC_COMM_WORLD,snes,ierr_psc)
call DMDACreate3d(PETSC_COMM_WORLD, &
DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, &
DMDA_STENCIL_BOX,res(1),res(2),res(3),PETSC_DECIDE,PETSC_DECIDE,PETSC_DECIDE, &
9,1,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,da,ierr_psc)
call DMCreateGlobalVector(da,solution_vec,ierr_psc)
call DMDASetLocalFunction(da,BasicPETSC_formResidual,ierr_psc)
call SNESSetDM(snes,da,ierr_psc)
call SNESSetConvergenceTest(snes,BasicPETSC_converged,dummy,PETSC_NULL_FUNCTION,ierr_psc)
call PetscOptionsInsertString(petsc_options,ierr_psc)
call SNESSetFromOptions(snes,ierr_psc)
!--------------------------------------------------------------------------------------------------
! init fields
call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr_psc)
F => xx_psc(0:8,:,:,:)
if (restartInc == 1_pInt) then ! no deformation (no restart)
F_lastInc = spread(spread(spread(math_I3,3,res(1)),4,res(2)),5,res(3)) ! initialize to identity
F = reshape(F_lastInc,[9,res(1),res(2),res(3)])
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
coordinates(i,j,k,1:3) = geomdim/real(res,pReal)*real([i,j,k],pReal) &
- geomdim/real(2_pInt*res,pReal)
enddo; enddo; enddo
elseif (restartInc > 1_pInt) then ! using old values from file
if (debugRestart) write(6,'(a,i6,a)') 'Reading values of increment ',&
restartInc - 1_pInt,' from file'
call IO_read_jobBinaryFile(777,'convergedSpectralDefgrad',&
trim(getSolverJobName()),size(F_lastInc))
read (777,rec=1) F
close (777)
call IO_read_jobBinaryFile(777,'convergedSpectralDefgrad_lastInc',&
trim(getSolverJobName()),size(F_lastInc))
read (777,rec=1) F_lastInc
close (777)
call IO_read_jobBinaryFile(777,'F_aim',trim(getSolverJobName()),size(F_aim))
read (777,rec=1) F_aim
close (777)
call IO_read_jobBinaryFile(777,'F_aim_lastInc',trim(getSolverJobName()),size(F_aim_lastInc))
read (777,rec=1) F_aim_lastInc
close (777)
coordinates = 0.0 ! change it later!!!
endif
call Utilities_constitutiveResponse(coordinates,F,F,temperature,0.0_pReal,P,C,P_av,.false.,math_I3)
call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr_psc)
!--------------------------------------------------------------------------------------------------
! reference stiffness
if (restartInc == 1_pInt) then
call IO_write_jobBinaryFile(777,'C_ref',size(C))
write (777,rec=1) C
close(777)
elseif (restartInc > 1_pInt) then
call IO_read_jobBinaryFile(777,'C_ref',trim(getSolverJobName()),size(C))
read (777,rec=1) C
close (777)
endif
call Utilities_updateGamma(C,.True.)
end subroutine BasicPETSC_init
!--------------------------------------------------------------------------------------------------
!> @brief solution for the Basic PETSC scheme with internal iterations
!--------------------------------------------------------------------------------------------------
type(tSolutionState) function &
basicPETSc_solution(incInfoIn,guessmode,timeinc,timeinc_old,P_BC,F_BC,temperature_bc,rotation_BC)
use numerics, only: &
update_gamma
use math, only: &
math_mul33x33 ,&
math_rotate_backward33
use mesh, only: &
res,&
geomdim,&
deformed_fft
use IO, only: &
IO_write_JobBinaryFile
use DAMASK_spectral_Utilities, only: &
tBoundaryCondition, &
Utilities_calculateRate, &
Utilities_forwardField, &
Utilities_maskedCompliance, &
Utilities_updateGamma, &
cutBack
use FEsolving, only: &
restartWrite, &
terminallyIll
implicit none
!--------------------------------------------------------------------------------------------------
! input data for solution
real(pReal), intent(in) :: timeinc, timeinc_old, temperature_bc, guessmode
type(tBoundaryCondition), intent(in) :: P_BC,F_BC
real(pReal), dimension(3,3), intent(in) :: rotation_BC
character(len=*), intent(in) :: incInfoIn
real(pReal), dimension(3,3),save :: F_aimDot=0.0_pReal
real(pReal), dimension(3,3) :: &
F_aim_lab
!--------------------------------------------------------------------------------------------------
! loop variables, convergence etc.
real(pReal), dimension(3,3) :: temp33_Real
!--------------------------------------------------------------------------------------------------
!
PetscScalar, pointer :: xx_psc(:,:,:,:), F(:,:,:,:)
PetscErrorCode :: ierr_psc
SNESConvergedReason :: reason
!--------------------------------------------------------------------------------------------------
! restart information for spectral solver
incInfo = incInfoIn
if (restartWrite) then
write(6,'(a)') 'writing converged results for restart'
call IO_write_jobBinaryFile(777,'convergedSpectralDefgrad',size(F_lastInc))
write (777,rec=1) F_LastInc
close (777)
call IO_write_jobBinaryFile(777,'C',size(C))
write (777,rec=1) C
close(777)
endif
call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr_psc)
F => xx_psc(0:8,:,:,:)
if ( cutBack) then
F_aim = F_aim_lastInc
F = reshape(F_lastInc,[9,res(1),res(2),res(3)])
C = C_lastInc
else
C_lastInc = C
!--------------------------------------------------------------------------------------------------
! calculate rate for aim
if (F_BC%myType=='l') then ! calculate f_aimDot from given L and current F
f_aimDot = F_BC%maskFloat * math_mul33x33(F_BC%values, F_aim)
elseif(F_BC%myType=='fdot') then ! f_aimDot is prescribed
f_aimDot = F_BC%maskFloat * F_BC%values
endif
f_aimDot = f_aimDot &
+ guessmode * P_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old
F_aim_lastInc = F_aim
!--------------------------------------------------------------------------------------------------
! update coordinates and rate and forward last inc
call deformed_fft(res,geomdim,math_rotate_backward33(F_aim_lastInc,rotation_BC), &
1.0_pReal,F_lastInc,coordinates)
Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
timeinc,timeinc_old,guessmode,F_lastInc,reshape(F,[3,3,res(1),res(2),res(3)]))
F_lastInc = reshape(F,[3,3,res(1),res(2),res(3)])
endif
F_aim = F_aim + f_aimDot * timeinc
F = reshape(Utilities_forwardField(timeinc,F_aim,F_lastInc,Fdot),[9,res(1),res(2),res(3)])
call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr_psc)
call deformed_fft(res,geomdim,math_rotate_backward33(F_aim,rotation_BC),1.0_pReal,F_lastInc,coordinates)
!--------------------------------------------------------------------------------------------------
! update stiffness (and gamma operator)
S = Utilities_maskedCompliance(rotation_BC,P_BC%maskLogical,C)
if (update_gamma) call Utilities_updateGamma(C,restartWrite)
ForwardData = .True.
mask_stress = P_BC%maskFloat
params%P_BC = P_BC%values
params%rotation_BC = rotation_BC
params%timeinc = timeinc
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr_psc)
call SNESGetConvergedReason(snes,reason,ierr_psc)
basicPETSc_solution%termIll = terminallyIll
terminallyIll = .false.
BasicPETSC_solution%converged =.false.
if (reason > 0 ) then
BasicPETSC_solution%converged = .true.
endif
end function BasicPETSC_solution
!--------------------------------------------------------------------------------------------------
!> @brief forms the AL residual vector
!--------------------------------------------------------------------------------------------------
subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr_psc)
use numerics, only: &
itmax, &
itmin
use math, only: &
math_rotate_backward33, &
math_transpose33, &
math_mul3333xx33
use mesh, only: &
res, &
wgt
use DAMASK_spectral_Utilities, only: &
field_real, &
Utilities_FFTforward, &
Utilities_FFTbackward, &
Utilities_fourierConvolution, &
Utilities_constitutiveResponse, &
Utilities_divergenceRMS
use IO, only : IO_intOut
implicit none
real(pReal), dimension(3,3) :: F_aim_lab_lastIter, F_aim_lab
DMDALocalInfo :: in(DMDA_LOCAL_INFO_SIZE)
PetscScalar, target :: x_scal(3,3,XG_RANGE,YG_RANGE,ZG_RANGE)
PetscScalar, target :: f_scal(3,3,X_RANGE,Y_RANGE,Z_RANGE)
PetscScalar, pointer :: F(:,:,:,:,:)
PetscScalar, pointer :: residual_F(:,:,:,:,:)
PetscInt :: iter, nfuncs
PetscObject :: dummy
PetscErrorCode :: ierr_psc
F => x_scal(:,:,:,:,:)
residual_F => f_scal(:,:,:,:,:)
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr_psc)
call SNESGetIterationNumber(snes,iter,ierr_psc)
!--------------------------------------------------------------------------------------------------
! report begin of new iteration
write(6,'(/,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
' @ Iter. ', itmin, '<',iter, '≤', itmax
write(6,'(a,/,3(3(f12.7,1x)/))',advance='no') 'deformation gradient aim =',&
math_transpose33(F_aim)
F_aim_lab_lastIter = math_rotate_backward33(F_aim,params%rotation_BC)
!--------------------------------------------------------------------------------------------------
! evaluate constitutive response
call Utilities_constitutiveResponse(coordinates,F_lastInc,F,temperature,params%timeinc, &
residual_F,C,P_av,ForwardData,params%rotation_BC)
ForwardData = .false.
!--------------------------------------------------------------------------------------------------
! stress BC handling
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%P_BC))) ! S = 0.0 for no bc
err_stress = maxval(abs(mask_stress * (P_av - params%P_BC))) ! mask = 0.0 for no bc
F_aim_lab = math_rotate_backward33(F_aim,params%rotation_BC)
!--------------------------------------------------------------------------------------------------
! updated deformation gradient using fix point algorithm of basic scheme
field_real = 0.0_pReal
field_real(1:res(1),1:res(2),1:res(3),1:3,1:3) = reshape(residual_F,[res(1),res(2),res(3),3,3],&
order=[4,5,1,2,3]) ! field real has a different order
call Utilities_FFTforward()
err_div = Utilities_divergenceRMS()
call Utilities_fourierConvolution(F_aim_lab_lastIter - F_aim_lab)
call Utilities_FFTbackward()
!--------------------------------------------------------------------------------------------------
! constructing residual
residual_F = reshape(field_real(1:res(1),1:res(2),1:res(3),1:3,1:3),shape(F),order=[3,4,5,1,2])
write(6,'(/,a)') '=========================================================================='
end subroutine BasicPETSC_formResidual
!--------------------------------------------------------------------------------------------------
!> @brief convergence check
!--------------------------------------------------------------------------------------------------
subroutine BasicPETSC_converged(snes_local,it,xnorm,snorm,fnorm,reason,dummy,ierr_psc)
use numerics, only: &
itmax, &
itmin, &
err_div_tol, &
err_stress_tolrel, &
err_stress_tolabs
use math, only: &
math_mul33x33, &
math_eigenvalues33, &
math_transpose33
implicit none
SNES snes_local
PetscInt it
PetscReal xnorm, snorm, fnorm
SNESConvergedReason reason
PetscObject dummy
PetscErrorCode ierr_psc
logical :: Converged
real(pReal) :: pAvgDivL2
pAvgDivL2 = sqrt(maxval(math_eigenvalues33(math_mul33x33(P_av,math_transpose33(P_av)))))
Converged = (it > itmin .and. &
all([ err_div/pAvgDivL2/err_div_tol, &
err_stress/min(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs)] < 1.0_pReal))
if (Converged) then
reason = 1
elseif (it > itmax) then
reason = -1
else
reason = 0
endif
write(6,'(a,f6.2,a,es11.4,a)') 'error divergence = ', err_div/pAvgDivL2/err_div_tol,&
' (',err_div/pAvgDivL2,' N/m³)'
write(6,'(a,f6.2,a,es11.4,a)') 'error stress = ', err_stress/min(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs), &
' (',err_stress,' Pa)'
end subroutine BasicPETSC_converged
!--------------------------------------------------------------------------------------------------
!> @brief destroy routine
!--------------------------------------------------------------------------------------------------
subroutine BasicPETSC_destroy()
use DAMASK_spectral_Utilities, only: &
Utilities_destroy
implicit none
PetscErrorCode ierr_psc
call VecDestroy(solution_vec,ierr_psc)
call SNESDestroy(snes,ierr_psc)
call DMDestroy(da,ierr_psc)
call PetscFinalize(ierr_psc)
call Utilities_destroy()
end subroutine BasicPETSC_destroy
end module DAMASK_spectral_SolverBasicPETSC