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! Copyright 2011-13 Max-Planck-Institut für Eisenforschung GmbH
!
! This file is part of DAMASK,
! the Düsseldorf Advanced MAterial Simulation Kit.
!
! DAMASK is free software: you can redistribute it and/or modify
! it under the terms of the GNU General Public License as published by
! the Free Software Foundation, either version 3 of the License, or
! (at your option) any later version.
!
! DAMASK is distributed in the hope that it will be useful,
! but WITHOUT ANY WARRANTY; without even the implied warranty of
! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
! GNU General Public License for more details.
!
! You should have received a copy of the GNU General Public License
! along with DAMASK. If not, see <http://www.gnu.org/licenses/>.
!
!--------------------------------------------------------------------------------------------------
! $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
private
#include <finclude/petscsys.h>
#include <finclude/petscdmda.h>
#include <finclude/petscsnes.h>
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
real(pReal) :: temperature
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
!--------------------------------------------------------------------------------------------------
! stress, stiffness and compliance average etc.
real(pReal), private, dimension(3,3) :: &
F_aim = math_I3, &
F_aim_lastIter = math_I3, &
F_aim_lastInc = math_I3, &
P_av = 0.0_pReal, &
F_aimDot=0.0_pReal
character(len=1024), private :: incInfo
real(pReal), private, dimension(3,3,3,3) :: &
C = 0.0_pReal, C_minmaxAvg = 0.0_pReal, C_lastInc= 0.0_pReal, &
S = 0.0_pReal
real(pReal), private :: err_stress, err_div
logical, private :: ForwardData
integer(pInt), private :: reportIter = 0_pInt
real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
public :: &
basicPETSc_init, &
basicPETSc_solution ,&
basicPETSc_destroy
external :: &
VecDestroy, &
DMDestroy, &
DMDACreate3D, &
DMCreateGlobalVector, &
DMDASetLocalFunction, &
PETScFinalize, &
SNESDestroy, &
SNESGetNumberFunctionEvals, &
SNESGetIterationNumber, &
SNESSolve, &
SNESSetDM, &
SNESGetConvergedReason, &
SNESSetConvergenceTest, &
SNESSetFromOptions, &
SNESCreate, &
MPI_Abort
contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates all neccessary fields and fills them with data, potentially from restart info
!--------------------------------------------------------------------------------------------------
subroutine basicPETSc_init(temperature)
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, &
IO_intOut, &
IO_timeStamp
use debug, only: &
debug_level, &
debug_spectral, &
debug_spectralRestart
use FEsolving, only: &
restartInc
use DAMASK_interface, only: &
getSolverJobName
use DAMASK_spectral_Utilities, only: &
Utilities_init, &
Utilities_constitutiveResponse, &
Utilities_updateGamma, &
grid, &
wgt, &
geomSize
use numerics, only: &
petsc_options
use mesh, only: &
mesh_ipCoordinates, &
mesh_deformedCoordsFFT
use math, only: &
math_invSym3333
implicit none
real(pReal), intent(inout) :: &
temperature
#include <finclude/petscdmda.h90>
#include <finclude/petscsnes.h90>
real(pReal), dimension(:,:,:,:,:), allocatable :: P
PetscScalar, dimension(:,:,:,:), pointer :: F
PetscErrorCode :: ierr
PetscObject :: dummy
real(pReal), dimension(3,3) :: &
temp33_Real = 0.0_pReal
real(pReal), dimension(3,3,3,3) :: &
temp3333_Real = 0.0_pReal
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 $'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
allocate (P (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
!--------------------------------------------------------------------------------------------------
! allocate global fields
allocate (F_lastInc(3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
allocate (Fdot (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
!--------------------------------------------------------------------------------------------------
! initialize solver specific parts of PETSc
call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
call DMDACreate3d(PETSC_COMM_WORLD, &
DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, &
DMDA_STENCIL_BOX,grid(1),grid(2),grid(3),PETSC_DECIDE,PETSC_DECIDE,PETSC_DECIDE, &
9,1,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,da,ierr)
CHKERRQ(ierr)
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr)
call DMDASetLocalFunction(da,BasicPETSC_formResidual,ierr); CHKERRQ(ierr)
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
call SNESSetConvergenceTest(snes,BasicPETSC_converged,dummy,PETSC_NULL_FUNCTION,ierr)
CHKERRQ(ierr)
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------
! init fields
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! get the data out of PETSc to work with
if (restartInc == 1_pInt) then ! no deformation (no restart)
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid(3)) ! initialize to identity
F = reshape(F_lastInc,[9,grid(1),grid(2),grid(3)])
elseif (restartInc > 1_pInt) then ! using old values from file
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0) &
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
'reading values of increment', restartInc - 1_pInt, 'from file'
flush(6)
call IO_read_jobBinaryFile(777,'F',&
trim(getSolverJobName()),size(F))
read (777,rec=1) F
close (777)
call IO_read_jobBinaryFile(777,'F_lastInc',&
trim(getSolverJobName()),size(F_lastInc))
read (777,rec=1) F_lastInc
close (777)
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
call IO_read_jobBinaryFile(777,'F_aimDot',trim(getSolverJobName()),size(f_aimDot))
read (777,rec=1) f_aimDot
close (777)
call IO_read_jobBinaryFile(777,'C',trim(getSolverJobName()),size(C))
read (777,rec=1) C
close (777)
call IO_read_jobBinaryFile(777,'C_lastInc',trim(getSolverJobName()),size(C_lastInc))
read (777,rec=1) C_lastInc
close (777)
call IO_read_jobBinaryFile(777,'C_ref',trim(getSolverJobName()),size(temp3333_Real))
read (777,rec=1) temp3333_Real
close (777)
endif
mesh_ipCoordinates = reshape(mesh_deformedCoordsFFT(geomSize,reshape(&
F,[3,3,grid(1),grid(2),grid(3)])),[3,1,product(grid)])
call Utilities_constitutiveResponse(&
reshape(F(0:8,0:grid(1)-1_pInt,0:grid(2)-1_pInt,0:grid(3)-1_pInt),[3,3,grid(1),grid(2),grid(3)]),&
reshape(F(0:8,0:grid(1)-1_pInt,0:grid(2)-1_pInt,0:grid(3)-1_pInt),[3,3,grid(1),grid(2),grid(3)]),&
temperature,0.0_pReal,P,C,C_minmaxAvg,temp33_Real,.false.,math_I3)
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! write data back into PETSc
if (restartInc == 1_pInt) then ! use initial stiffness as reference stiffness
temp3333_Real = C_minmaxAvg
endif
call Utilities_updateGamma(temp3333_Real,.True.)
end subroutine basicPETSc_init
!--------------------------------------------------------------------------------------------------
!> @brief solution for the Basic PETSC scheme with internal iterations
!--------------------------------------------------------------------------------------------------
type(tSolutionState) function &
basicPETSc_solution(incInfoIn,guess,timeinc,timeinc_old,P_BC,F_BC,temperature_bc,rotation_BC)
use numerics, only: &
update_gamma, &
itmax
use math, only: &
math_mul33x33 ,&
math_rotate_backward33
use mesh, only: &
mesh_ipCoordinates,&
mesh_deformedCoordsFFT
use IO, only: &
IO_write_JobBinaryFile
use DAMASK_spectral_Utilities, only: &
grid, &
geomSize, &
tBoundaryCondition, &
Utilities_calculateRate, &
Utilities_forwardField, &
Utilities_maskedCompliance, &
Utilities_updateGamma, &
cutBack
use FEsolving, only: &
restartWrite, &
terminallyIll
implicit none
#include <finclude/petscdmda.h90>
#include <finclude/petscsnes.h90>
!--------------------------------------------------------------------------------------------------
! input data for solution
real(pReal), intent(in) :: timeinc, timeinc_old, temperature_bc
logical, intent(in):: guess
type(tBoundaryCondition), intent(in) :: P_BC,F_BC
real(pReal), dimension(3,3), intent(in) :: rotation_BC
character(len=*), intent(in) :: incInfoIn
!--------------------------------------------------------------------------------------------------
!
PetscScalar, pointer :: F(:,:,:,:)
PetscErrorCode :: ierr
SNESConvergedReason :: reason
incInfo = incInfoIn
call DMDAVecGetArrayF90(da,solution_vec,F,ierr)
!--------------------------------------------------------------------------------------------------
! write restart information for spectral solver
if (restartWrite) then
write(6,'(/,a)') ' writing converged results for restart'
flush(6)
call IO_write_jobBinaryFile(777,'F',size(F)) ! writing deformation gradient field to file
write (777,rec=1) F
close (777)
call IO_write_jobBinaryFile(777,'F_lastInc',size(F_lastInc)) ! writing F_lastInc field to file
write (777,rec=1) F_lastInc
close (777)
call IO_write_jobBinaryFile(777,'F_aimDot',size(F_aimDot))
write (777,rec=1) F_aimDot
close(777)
call IO_write_jobBinaryFile(777,'C',size(C))
write (777,rec=1) C
close(777)
call IO_write_jobBinaryFile(777,'C_lastInc',size(C_lastInc))
write (777,rec=1) C_lastInc
close(777)
endif
mesh_ipCoordinates = reshape(mesh_deformedCoordsFFT(geomSize,reshape(&
F,[3,3,grid(1),grid(2),grid(3)])),[3,1,product(grid)])
if ( cutBack) then
F_aim = F_aim_lastInc
F = reshape(F_lastInc,[9,grid(1),grid(2),grid(3)])
C = C_lastInc
else
C_lastInc = C
mesh_ipCoordinates = reshape(mesh_deformedCoordsFFT(geomSize,reshape(&
F,[3,3,grid(1),grid(2),grid(3)])),[3,1,product(grid)])
!--------------------------------------------------------------------------------------------------
! 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
if (guess) f_aimDot = f_aimDot + P_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old
F_aim_lastInc = F_aim
!--------------------------------------------------------------------------------------------------
! update rate and forward last inc
Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,params%rotation_BC), &
timeinc_old,guess,F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid(3)]))
F_lastInc = reshape(F,[3,3,grid(1),grid(2),grid(3)])
endif
F_aim = F_aim + f_aimDot * timeinc
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot,math_rotate_backward33(F_aim, &
rotation_BC)),[9,grid(1),grid(2),grid(3)])
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------
! update stiffness (and gamma operator)
S = Utilities_maskedCompliance(rotation_BC,P_BC%maskLogical,C)
if (update_gamma) call Utilities_updateGamma(C_minmaxAvg,restartWrite)
ForwardData = .True.
!--------------------------------------------------------------------------------------------------
! set module wide availabe data
mask_stress = P_BC%maskFloat
params%P_BC = P_BC%values
params%rotation_BC = rotation_BC
params%timeinc = timeinc
params%temperature = temperature_BC
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr); CHKERRQ(ierr)
call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
basicPETSc_solution%termIll = terminallyIll
terminallyIll = .false.
if (reason < 1) then
basicPETSC_solution%converged = .false.
basicPETSC_solution%iterationsNeeded = itmax
else
basicPETSC_solution%converged = .true.
basicPETSC_solution%iterationsNeeded = reportIter - 1_pInt
endif
end function BasicPETSc_solution
!--------------------------------------------------------------------------------------------------
!> @brief forms the AL residual vector
!--------------------------------------------------------------------------------------------------
subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
use numerics, only: &
itmax, &
itmin
use math, only: &
math_rotate_backward33, &
math_transpose33, &
math_mul3333xx33
use debug, only: &
debug_level, &
debug_spectral, &
debug_spectralRotation
use DAMASK_spectral_Utilities, only: &
grid, &
wgt, &
field_real, &
Utilities_FFTforward, &
Utilities_FFTbackward, &
Utilities_fourierConvolution, &
Utilities_constitutiveResponse, &
Utilities_divergenceRMS
use IO, only: &
IO_intOut
implicit none
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: &
in
PetscScalar, dimension(3,3,grid(1),grid(2),grid(3)) :: &
x_scal, &
f_scal
PetscInt :: &
iter, &
nfuncs
PetscObject :: dummy
PetscErrorCode :: ierr
integer(pInt), save :: callNo = 3_pInt
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
call SNESGetIterationNumber(snes,iter,ierr); CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------
! report begin of new iteration
if (iter == 0 .and. callNo>2) then
callNo = 0_pInt
reportIter = 0_pInt
endif
if (callNo == 0 .or. mod(callNo,2) == 1_pInt) then
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
' @ Iteration ', itmin, '≤',reportIter, '≤', itmax
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab)=', &
math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim =', &
math_transpose33(F_aim)
flush(6)
reportIter = reportIter + 1_pInt
endif
callNo = callNo +1_pInt
!--------------------------------------------------------------------------------------------------
! evaluate constitutive response
call Utilities_constitutiveResponse(F_lastInc,x_scal,params%temperature,params%timeinc, &
f_scal,C,C_minmaxAvg,P_av,ForwardData,params%rotation_BC)
ForwardData = .false.
!--------------------------------------------------------------------------------------------------
! stress BC handling
F_aim_lastIter = F_aim
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
!--------------------------------------------------------------------------------------------------
! updated deformation gradient using fix point algorithm of basic scheme
field_real = 0.0_pReal
field_real(1:grid(1),1:grid(2),1:grid(3),1:3,1:3) = reshape(f_scal,[grid(1),grid(2),grid(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(math_rotate_backward33(F_aim_lastIter-F_aim,params%rotation_BC))
call Utilities_FFTbackward()
!--------------------------------------------------------------------------------------------------
! constructing residual
f_scal = reshape(field_real(1:grid(1),1:grid(2),1:grid(3),1:3,1:3),shape(x_scal),order=[3,4,5,1,2])
end subroutine BasicPETSc_formResidual
!--------------------------------------------------------------------------------------------------
!> @brief convergence check
!--------------------------------------------------------------------------------------------------
subroutine BasicPETSc_converged(snes_local,it,xnorm,snorm,fnorm,reason,dummy,ierr)
use numerics, only: &
itmax, &
itmin, &
err_div_tol, &
err_stress_tolrel, &
err_stress_tolabs
use math, only: &
math_mul33x33, &
math_eigenvalues33, &
math_transpose33
use FEsolving, only: &
terminallyIll
implicit none
SNES :: snes_local
PetscInt :: it
PetscReal :: &
xnorm, &
snorm, &
fnorm
SNESConvergedReason :: reason
PetscObject :: dummy
PetscErrorCode :: ierr
logical :: Converged
real(pReal) :: &
pAvgDivL2, &
err_stress_tol
err_stress_tol =max(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs)
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/err_stress_tol ] < 1.0_pReal)) &
.or. terminallyIll
if (Converged) then
reason = 1
elseif (it >= itmax) then
reason = -1
else
reason = 0
endif
write(6,'(1/,a)') ' ... reporting ....................................................'
write(6,'(/,a,f8.2,a,es11.5,a,es11.4,a)') ' error divergence = ', &
err_div/pAvgDivL2/err_div_tol, ' (',err_div/pAvgDivL2,' / m, tol =',err_div_tol,')'
write(6,'(a,f8.2,a,es11.5,a,es11.4,a)') ' error stress BC = ', &
err_stress/err_stress_tol, ' (',err_stress, ' Pa , tol =',err_stress_tol,')'
write(6,'(/,a)') ' =========================================================================='
flush(6)
end subroutine BasicPETSc_converged
!--------------------------------------------------------------------------------------------------
!> @brief destroy routine
!--------------------------------------------------------------------------------------------------
subroutine BasicPETSc_destroy()
use DAMASK_spectral_Utilities, only: &
Utilities_destroy
implicit none
PetscErrorCode :: ierr
call VecDestroy(solution_vec,ierr); CHKERRQ(ierr)
call SNESDestroy(snes,ierr); CHKERRQ(ierr)
call DMDestroy(da,ierr); CHKERRQ(ierr)
call PetscFinalize(ierr); CHKERRQ(ierr)
call Utilities_destroy()
end subroutine BasicPETSc_destroy
end module DAMASK_spectral_SolverBasicPETSc
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