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@ -0,0 +1,444 @@
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!--------------------------------------------------------------------------------------------------
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! $Id: DAMASK_spectral_SolverAL.f90 1654 2012-08-03 09:25:48Z MPIE\m.diehl $
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!--------------------------------------------------------------------------------------------------
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!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief Basic scheme PETSc solver
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!--------------------------------------------------------------------------------------------------
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module DAMASK_spectral_SolverBasicPETSC
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment)
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use prec, only: &
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pInt, &
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pReal
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use math, only: &
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math_I3
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use DAMASK_spectral_Utilities, only: &
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solutionState
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implicit none
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#ifdef PETSC
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#include <finclude/petscsys.h>
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#include <finclude/petscvec.h>
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#include <finclude/petscdmda.h>
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#include <finclude/petscis.h>
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#include <finclude/petscmat.h>
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#include <finclude/petscksp.h>
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#include <finclude/petscpc.h>
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#include <finclude/petscsnes.h>
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#include <finclude/petscvec.h90>
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#include <finclude/petscdmda.h90>
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#include <finclude/petscsnes.h90>
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#endif
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character (len=*), parameter, public :: &
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DAMASK_spectral_SolverBasicPETSC_label = 'basicpetsc'
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!--------------------------------------------------------------------------------------------------
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! derived types
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type solutionParams
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real(pReal), dimension(3,3) :: P_BC, rotation_BC
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real(pReal) :: timeinc
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end type solutionParams
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type(solutionParams), private :: params
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!--------------------------------------------------------------------------------------------------
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! PETSc data
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DM, private :: da
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SNES, private :: snes
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Vec, private :: solution_vec
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!--------------------------------------------------------------------------------------------------
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! common pointwise data
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real(pReal), private, dimension(:,:,:,:,:), allocatable :: F_lastInc
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real(pReal), private, dimension(:,:,:,:), allocatable :: coordinates
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real(pReal), private, dimension(:,:,:), allocatable :: temperature
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!--------------------------------------------------------------------------------------------------
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! stress, stiffness and compliance average etc.
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real(pReal), private, dimension(3,3) :: &
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F_aim = math_I3, &
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F_aim_lastInc = math_I3, &
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P_av
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real(pReal), private, dimension(3,3,3,3) :: &
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C = 0.0_pReal, &
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S = 0.0_pReal
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real(pReal), private :: err_stress, err_div
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logical, private :: ForwardData
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real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
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contains
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!--------------------------------------------------------------------------------------------------
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!> @brief allocates all neccessary fields and fills them with data, potentially from restart info
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!--------------------------------------------------------------------------------------------------
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subroutine BasicPETSC_init()
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use IO, only: &
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IO_read_JobBinaryFile, &
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IO_write_JobBinaryFile
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use FEsolving, only: &
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restartInc
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use DAMASK_interface, only: &
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getSolverJobName
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use DAMASK_spectral_Utilities, only: &
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Utilities_init, &
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Utilities_constitutiveResponse, &
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Utilities_updateGamma, &
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debugrestart
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use numerics, only: &
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petsc_options
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use mesh, only: &
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res, &
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geomdim, &
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mesh_NcpElems
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use math, only: &
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math_invSym3333
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implicit none
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integer(pInt) :: i,j,k
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real(pReal), dimension(:,:,:,:,:), allocatable :: P
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PetscErrorCode :: ierr_psc
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PetscObject :: dummy
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PetscMPIInt :: rank
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PetscScalar, pointer :: xx_psc(:,:,:,:), F(:,:,:,:)
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call Utilities_init()
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write(6,'(a)') ''
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write(6,'(a)') ' <<<+- DAMASK_spectral_solverBasicPETSC init -+>>>'
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write(6,'(a)') ' $Id: DAMASK_spectral_SolverBasicPETSC.f90 1654 2012-08-03 09:25:48Z MPIE\m.diehl $'
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#include "compilation_info.f90"
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write(6,'(a)') ''
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allocate (F_lastInc (3,3, res(1), res(2),res(3)), source = 0.0_pReal)
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allocate (P (3,3, res(1), res(2),res(3)), source = 0.0_pReal)
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allocate (coordinates( res(1), res(2),res(3),3), source = 0.0_pReal)
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allocate (temperature( res(1), res(2),res(3)), source = 0.0_pReal)
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!--------------------------------------------------------------------------------------------------
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! PETSc Init
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call PetscInitialize(PETSC_NULL_CHARACTER,ierr_psc)
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call MPI_Comm_rank(PETSC_COMM_WORLD,rank,ierr_psc)
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call SNESCreate(PETSC_COMM_WORLD,snes,ierr_psc)
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call DMDACreate3d(PETSC_COMM_WORLD, &
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DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, &
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DMDA_STENCIL_BOX,res(1),res(2),res(3),PETSC_DECIDE,PETSC_DECIDE,PETSC_DECIDE, &
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9,1,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,da,ierr_psc)
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call DMCreateGlobalVector(da,solution_vec,ierr_psc)
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call DMDASetLocalFunction(da,BasicPETSC_formResidual,ierr_psc)
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call SNESSetDM(snes,da,ierr_psc)
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call SNESSetConvergenceTest(snes,BasicPETSC_converged,dummy,PETSC_NULL_FUNCTION,ierr_psc)
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call PetscOptionsInsertString(petsc_options,ierr_psc)
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call SNESSetFromOptions(snes,ierr_psc)
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!--------------------------------------------------------------------------------------------------
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! init fields
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call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr_psc)
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F => xx_psc(0:8,:,:,:)
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if (restartInc == 1_pInt) then ! no deformation (no restart)
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F_lastInc = spread(spread(spread(math_I3,3,res(1)),4,res(2)),5,res(3)) ! initialize to identity
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F = reshape(F_lastInc,[9,res(1),res(2),res(3)])
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do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
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coordinates(i,j,k,1:3) = geomdim/real(res,pReal)*real([i,j,k],pReal) &
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- geomdim/real(2_pInt*res,pReal)
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enddo; enddo; enddo
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elseif (restartInc > 1_pInt) then ! using old values from file
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if (debugRestart) write(6,'(a,i6,a)') 'Reading values of increment ',&
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restartInc - 1_pInt,' from file'
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call IO_read_jobBinaryFile(777,'convergedSpectralDefgrad',&
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trim(getSolverJobName()),size(F_lastInc))
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read (777,rec=1) F
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close (777)
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call IO_read_jobBinaryFile(777,'convergedSpectralDefgrad_lastInc',&
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trim(getSolverJobName()),size(F_lastInc))
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read (777,rec=1) F_lastInc
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close (777)
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call IO_read_jobBinaryFile(777,'F_aim',trim(getSolverJobName()),size(F_aim))
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read (777,rec=1) F_aim
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close (777)
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call IO_read_jobBinaryFile(777,'F_aim_lastInc',trim(getSolverJobName()),size(F_aim_lastInc))
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read (777,rec=1) F_aim_lastInc
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close (777)
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coordinates = 0.0 ! change it later!!!
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endif
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call Utilities_constitutiveResponse(coordinates,F,F,temperature,0.0_pReal,P,C,P_av,.false.,math_I3)
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call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr_psc)
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!--------------------------------------------------------------------------------------------------
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! reference stiffness
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if (restartInc == 1_pInt) then
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call IO_write_jobBinaryFile(777,'C_ref',size(C))
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write (777,rec=1) C
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close(777)
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elseif (restartInc > 1_pInt) then
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call IO_read_jobBinaryFile(777,'C_ref',trim(getSolverJobName()),size(C))
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read (777,rec=1) C
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close (777)
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endif
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call Utilities_updateGamma(C)
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end subroutine BasicPETSC_init
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!--------------------------------------------------------------------------------------------------
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!> @brief solution for the Basic PETSC scheme with internal iterations
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!--------------------------------------------------------------------------------------------------
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type(solutionState) function BasicPETSC_solution(guessmode,timeinc,timeinc_old,P_BC,F_BC,temperature_bc,rotation_BC)
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use numerics, only: &
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update_gamma
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use math, only: &
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math_mul33x33 ,&
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math_rotate_backward33, &
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deformed_fft
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use mesh, only: &
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res,&
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geomdim
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use IO, only: &
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IO_write_JobBinaryFile
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use DAMASK_spectral_Utilities, only: &
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boundaryCondition, &
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Utilities_forwardField, &
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Utilities_maskedCompliance, &
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Utilities_updateGamma
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use FEsolving, only: &
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restartWrite
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implicit none
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!--------------------------------------------------------------------------------------------------
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! input data for solution
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real(pReal), intent(in) :: timeinc, timeinc_old, temperature_bc, guessmode
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type(boundaryCondition), intent(in) :: P_BC,F_BC
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real(pReal), dimension(3,3), intent(in) :: rotation_BC
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real(pReal), dimension(3,3) :: deltaF_aim, &
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F_aim_lab
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!--------------------------------------------------------------------------------------------------
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! loop variables, convergence etc.
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real(pReal), dimension(3,3) :: temp33_Real
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!--------------------------------------------------------------------------------------------------
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!
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PetscScalar, pointer :: xx_psc(:,:,:,:), F(:,:,:,:)
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PetscErrorCode ierr_psc
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SNESConvergedReason reason
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!--------------------------------------------------------------------------------------------------
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! restart information for spectral solver
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if (restartWrite) then
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write(6,'(a)') 'writing converged results for restart'
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call IO_write_jobBinaryFile(777,'convergedSpectralDefgrad',size(F_lastInc))
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write (777,rec=1) F_LastInc
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close (777)
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call IO_write_jobBinaryFile(777,'C',size(C))
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write (777,rec=1) C
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close(777)
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endif
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BasicPETSC_solution%converged =.false.
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!--------------------------------------------------------------------------------------------------
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! winding forward of deformation aim in loadcase system
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if (F_BC%myType=='l') then ! calculate deltaF_aim from given L and current F
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deltaF_aim = timeinc * F_BC%maskFloat * math_mul33x33(F_BC%values, F_aim)
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elseif(F_BC%myType=='fdot') then ! deltaF_aim = fDot *timeinc where applicable
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deltaF_aim = timeinc * F_BC%maskFloat * F_BC%values
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endif
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temp33_Real = F_aim
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F_aim = F_aim &
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+ guessmode * P_BC%maskFloat * (F_aim - F_aim_lastInc)*timeinc/timeinc_old &
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+ deltaF_aim
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F_aim_lastInc = temp33_Real
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F_aim_lab = math_rotate_backward33(F_aim,rotation_BC) ! boundary conditions from load frame into lab (Fourier) frame
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!--------------------------------------------------------------------------------------------------
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! update local deformation gradient and coordinates
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deltaF_aim = math_rotate_backward33(deltaF_aim,rotation_BC)
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call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr_psc)
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F => xx_psc(0:8,:,:,:)
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call Utilities_forwardField(deltaF_aim,timeinc,timeinc_old,guessmode,F_lastInc,F)
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call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr_psc)
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call deformed_fft(res,geomdim,math_rotate_backward33(F_aim,rotation_BC),1.0_pReal,F_lastInc,coordinates)
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!--------------------------------------------------------------------------------------------------
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! update stiffness (and gamma operator)
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S = Utilities_maskedCompliance(rotation_BC,P_BC%maskLogical,C)
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if (update_gamma) call Utilities_updateGamma(C)
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ForwardData = .True.
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mask_stress = P_BC%maskFloat
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params%P_BC = P_BC%values
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params%rotation_BC = rotation_BC
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params%timeinc = timeinc
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call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr_psc)
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call SNESGetConvergedReason(snes,reason,ierr_psc)
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if (reason > 0 ) BasicPETSC_solution%converged = .true.
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end function BasicPETSC_solution
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!--------------------------------------------------------------------------------------------------
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!> @brief forms the AL residual vector
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!--------------------------------------------------------------------------------------------------
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subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr_psc)
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use numerics, only: &
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itmax, &
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itmin
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use math, only: &
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math_rotate_backward33, &
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math_transpose33, &
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math_mul3333xx33
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use mesh, only: &
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res, &
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wgt
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use DAMASK_spectral_Utilities, only: &
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field_real, &
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Utilities_forwardFFT, &
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Utilities_fourierConvolution, &
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Utilities_backwardFFT, &
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Utilities_constitutiveResponse, &
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Utilities_divergenceRMS
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implicit none
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real(pReal), dimension(3,3) :: F_aim_lab_lastIter, F_aim_lab
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DMDALocalInfo :: in(DMDA_LOCAL_INFO_SIZE)
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PetscScalar, target :: x_scal(3,3,XG_RANGE,YG_RANGE,ZG_RANGE)
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PetscScalar, target :: f_scal(3,3,X_RANGE,Y_RANGE,Z_RANGE)
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PetscScalar, pointer :: F(:,:,:,:,:)
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PetscScalar, pointer :: residual_F(:,:,:,:,:)
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PetscInt :: iter, nfuncs
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PetscObject :: dummy
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PetscErrorCode :: ierr_psc
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F => x_scal(:,:,:,:,:)
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residual_F => f_scal(:,:,:,:,:)
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call SNESGetNumberFunctionEvals(snes,nfuncs,ierr_psc)
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call SNESGetIterationNumber(snes,iter,ierr_psc)
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!--------------------------------------------------------------------------------------------------
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! report begin of new iteration
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write(6,'(a)') ''
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write(6,'(a)') '=================================================================='
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write(6,'(4(a,i6.6))') ' @ Iter. ',itmin,' < ',iter,' < ',itmax, ' | # Func. calls = ',nfuncs
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write(6,'(a,/,3(3(f12.7,1x)/))',advance='no') 'deformation gradient aim =',&
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math_transpose33(F_aim)
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F_aim_lab_lastIter = math_rotate_backward33(F_aim,params%rotation_BC)
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!--------------------------------------------------------------------------------------------------
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! evaluate constitutive response
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call Utilities_constitutiveResponse(coordinates,F_lastInc,F,temperature,params%timeinc, &
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residual_F,C,P_av,ForwardData,params%rotation_BC)
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ForwardData = .False.
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!--------------------------------------------------------------------------------------------------
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! stress BC handling
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F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%P_BC))) ! S = 0.0 for no bc
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err_stress = maxval(mask_stress * (P_av - params%P_BC)) ! mask = 0.0 for no bc
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F_aim_lab = math_rotate_backward33(F_aim,params%rotation_BC)
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!--------------------------------------------------------------------------------------------------
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! updated deformation gradient using fix point algorithm of basic scheme
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field_real = 0.0_pReal
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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],&
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order=[4,5,1,2,3]) ! field real has a different order
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call Utilities_forwardFFT()
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err_div = Utilities_divergenceRMS()
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call Utilities_fourierConvolution(F_aim_lab_lastIter - F_aim_lab)
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call Utilities_backwardFFT()
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!--------------------------------------------------------------------------------------------------
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! constructing residual
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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])
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end subroutine BasicPETSC_formResidual
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!--------------------------------------------------------------------------------------------------
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!> @brief convergence check
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!--------------------------------------------------------------------------------------------------
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subroutine BasicPETSC_converged(snes_local,it,xnorm,snorm,fnorm,reason,dummy,ierr_psc)
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use numerics, only: &
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itmax, &
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itmin, &
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err_div_tol, &
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err_stress_tolrel, &
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err_stress_tolabs
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use math, only: &
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math_mul33x33, &
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math_eigenvalues33, &
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math_transpose33
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implicit none
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SNES snes_local
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PetscInt it
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PetscReal xnorm, snorm, fnorm
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SNESConvergedReason reason
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PetscObject dummy
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PetscErrorCode ierr_psc
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logical :: Converged
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real(pReal) :: pAvgDivL2
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pAvgDivL2 = sqrt(maxval(math_eigenvalues33(math_mul33x33(P_av,math_transpose33(P_av)))))
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Converged = (it > itmin .and. &
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all([ err_div/pAvgDivL2/err_div_tol, &
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err_stress/min(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs)] < 1.0_pReal))
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if (Converged) then
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reason = 1
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elseif (it > itmax) then
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reason = -1
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else
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reason = 0
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endif
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write(6,'(a,f6.2,a,es11.4,a)') 'error divergence = ', err_div/pAvgDivL2/err_div_tol,&
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' (',err_div/pAvgDivL2,' N/m³)'
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write(6,'(a,f6.2,a,es11.4,a)') 'error stress = ', err_stress/min(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs), &
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' (',err_stress,' Pa)'
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return
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end subroutine BasicPETSC_converged
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!--------------------------------------------------------------------------------------------------
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!> @brief destroy routine
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!--------------------------------------------------------------------------------------------------
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subroutine BasicPETSC_destroy()
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use DAMASK_spectral_Utilities, only: &
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Utilities_destroy
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implicit none
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PetscErrorCode ierr_psc
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call VecDestroy(solution_vec,ierr_psc)
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call SNESDestroy(snes,ierr_psc)
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call DMDestroy(da,ierr_psc)
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call PetscFinalize(ierr_psc)
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call Utilities_destroy()
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end subroutine BasicPETSC_destroy
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end module DAMASK_spectral_SolverBasicPETSC
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Pratheek Shanthraj