498 lines
20 KiB
Fortran
498 lines
20 KiB
Fortran
!--------------------------------------------------------------------------------------------------
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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 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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tSolutionState
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implicit none
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private
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#include <finclude/petscsys.h>
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#include <finclude/petscdmda.h>
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#include <finclude/petscsnes.h>
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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 tSolutionParams
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real(pReal), dimension(3,3) :: P_BC, rotation_BC
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real(pReal) :: timeinc
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real(pReal) :: temperature
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end type tSolutionParams
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type(tSolutionParams), 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, Fdot
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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_lastIter = math_I3, &
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F_aim_lastInc = math_I3, &
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P_av = 0.0_pReal, &
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F_aimDot=0.0_pReal
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character(len=1024), private :: incInfo
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real(pReal), private, dimension(3,3,3,3) :: &
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C = 0.0_pReal, C_minmaxAvg = 0.0_pReal, C_lastInc= 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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integer(pInt), private :: reportIter = 0_pInt
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real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
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public :: &
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basicPETSc_init, &
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basicPETSc_solution ,&
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basicPETSc_destroy
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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(temperature)
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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 IO, only: &
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IO_read_JobBinaryFile, &
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IO_write_JobBinaryFile, &
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IO_timeStamp
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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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wgt, &
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geomdim, &
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scaledDim, &
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mesh_NcpElems, &
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mesh_ipCoordinates, &
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mesh_deformedCoordsFFT
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use math, only: &
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math_invSym3333
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implicit none
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real(pReal), intent(inout) :: &
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temperature
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#include <finclude/petscdmda.h90>
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#include <finclude/petscsnes.h90>
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integer(pInt) :: i,j,k
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real(pReal), dimension(3,3,res(1),res(2),res(3)) :: P
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PetscScalar, dimension(:,:,:,:), pointer :: F
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PetscErrorCode :: ierr
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PetscObject :: dummy
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real(pReal), dimension(3,3) :: &
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temp33_Real = 0.0_pReal
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real(pReal), dimension(3,3,3,3) :: &
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temp3333_Real = 0.0_pReal
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call Utilities_init()
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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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write(6,'(a16,a)') ' Current time : ',IO_timeStamp()
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#include "compilation_info.f90"
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write(6,'(a,3(f12.5)/)') ' scaledDim x y z:', scaledDim
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!--------------------------------------------------------------------------------------------------
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! allocate global fields
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allocate (F_lastInc(3,3,res(1),res(2),res(3)), source = 0.0_pReal)
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allocate (Fdot (3,3,res(1),res(2),res(3)), source = 0.0_pReal)
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!--------------------------------------------------------------------------------------------------
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! initialize solver specific parts of PETSc
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call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
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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)
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CHKERRQ(ierr)
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call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr)
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call DMDASetLocalFunction(da,BasicPETSC_formResidual,ierr); CHKERRQ(ierr)
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call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
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call SNESSetConvergenceTest(snes,BasicPETSC_converged,dummy,PETSC_NULL_FUNCTION,ierr)
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CHKERRQ(ierr)
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call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr)
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!--------------------------------------------------------------------------------------------------
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! init fields
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call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! get the data out of PETSc to work with
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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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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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flush(6)
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call IO_read_jobBinaryFile(777,'F',&
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trim(getSolverJobName()),size(F))
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read (777,rec=1) F
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close (777)
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call IO_read_jobBinaryFile(777,'F_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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F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
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F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
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call IO_read_jobBinaryFile(777,'F_aimDot',trim(getSolverJobName()),size(f_aimDot))
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read (777,rec=1) f_aimDot
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close (777)
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call IO_read_jobBinaryFile(777,'C',trim(getSolverJobName()),size(C))
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read (777,rec=1) C
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close (777)
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call IO_read_jobBinaryFile(777,'C_lastInc',trim(getSolverJobName()),size(C_lastInc))
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read (777,rec=1) C_lastInc
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close (777)
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call IO_read_jobBinaryFile(777,'C_ref',trim(getSolverJobName()),size(temp3333_Real))
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read (777,rec=1) temp3333_Real
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close (777)
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endif
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mesh_ipCoordinates = reshape(mesh_deformedCoordsFFT(geomdim,reshape(&
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F,[3,3,res(1),res(2),res(3)])),[3,1,mesh_NcpElems])
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call Utilities_constitutiveResponse(&
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reshape(F(0:8,0:res(1)-1_pInt,0:res(2)-1_pInt,0:res(3)-1_pInt),[3,3,res(1),res(2),res(3)]),&
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reshape(F(0:8,0:res(1)-1_pInt,0:res(2)-1_pInt,0:res(3)-1_pInt),[3,3,res(1),res(2),res(3)]),&
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temperature,0.0_pReal,P,C,C_minmaxAvg,temp33_Real,.false.,math_I3)
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call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! write data back into PETSc
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if (restartInc == 1_pInt) then ! use initial stiffness as reference stiffness
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temp3333_Real = C_minmaxAvg
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endif
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call Utilities_updateGamma(temp3333_Real,.True.)
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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(tSolutionState) function &
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basicPETSc_solution(incInfoIn,guess,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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itmax
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use math, only: &
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math_mul33x33 ,&
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math_rotate_backward33
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use mesh, only: &
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res,&
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geomdim,&
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mesh_ipCoordinates,&
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mesh_NcpElems, &
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mesh_deformedCoordsFFT
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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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tBoundaryCondition, &
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Utilities_calculateRate, &
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Utilities_forwardField, &
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Utilities_maskedCompliance, &
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Utilities_updateGamma, &
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cutBack
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use FEsolving, only: &
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restartWrite, &
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terminallyIll
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implicit none
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#include <finclude/petscdmda.h90>
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#include <finclude/petscsnes.h90>
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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
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logical, intent(in):: guess
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type(tBoundaryCondition), intent(in) :: P_BC,F_BC
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real(pReal), dimension(3,3), intent(in) :: rotation_BC
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character(len=*), intent(in) :: incInfoIn
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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 :: F(:,:,:,:)
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PetscErrorCode :: ierr
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SNESConvergedReason :: reason
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incInfo = incInfoIn
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call DMDAVecGetArrayF90(da,solution_vec,F,ierr)
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!--------------------------------------------------------------------------------------------------
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! write 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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flush(6)
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call IO_write_jobBinaryFile(777,'F',size(F)) ! writing deformation gradient field to file
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write (777,rec=1) F
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close (777)
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call IO_write_jobBinaryFile(777,'F_lastInc',size(F_lastInc)) ! writing F_lastInc field to file
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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,'F_aimDot',size(F_aimDot))
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write (777,rec=1) F_aimDot
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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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call IO_write_jobBinaryFile(777,'C_lastInc',size(C_lastInc))
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write (777,rec=1) C_lastInc
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close(777)
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endif
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mesh_ipCoordinates = reshape(mesh_deformedCoordsFFT(geomdim,reshape(&
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F,[3,3,res(1),res(2),res(3)])),[3,1,mesh_NcpElems])
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if ( cutBack) then
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F_aim = F_aim_lastInc
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F = reshape(F_lastInc,[9,res(1),res(2),res(3)])
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C = C_lastInc
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else
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C_lastInc = C
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mesh_ipCoordinates = reshape(mesh_deformedCoordsFFT(geomdim,reshape(&
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F,[3,3,res(1),res(2),res(3)])),[3,1,mesh_NcpElems])
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!--------------------------------------------------------------------------------------------------
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! calculate rate for aim
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if (F_BC%myType=='l') then ! calculate f_aimDot from given L and current F
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f_aimDot = F_BC%maskFloat * math_mul33x33(F_BC%values, F_aim)
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elseif(F_BC%myType=='fdot') then ! f_aimDot is prescribed
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f_aimDot = F_BC%maskFloat * F_BC%values
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endif
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if (guess) f_aimDot = f_aimDot + P_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old
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F_aim_lastInc = F_aim
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!--------------------------------------------------------------------------------------------------
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! update rate and forward last inc
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Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,params%rotation_BC), &
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timeinc_old,guess,F_lastInc,reshape(F,[3,3,res(1),res(2),res(3)]))
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F_lastInc = reshape(F,[3,3,res(1),res(2),res(3)])
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endif
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F_aim = F_aim + f_aimDot * timeinc
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F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot,math_rotate_backward33(F_aim, &
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rotation_BC)),[9,res(1),res(2),res(3)])
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call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
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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_minmaxAvg,restartWrite)
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ForwardData = .True.
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!--------------------------------------------------------------------------------------------------
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! set module wide availabe data
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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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params%temperature = temperature_BC
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call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr); CHKERRQ(ierr)
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call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
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basicPETSc_solution%termIll = terminallyIll
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terminallyIll = .false.
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if (reason < 1) then
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basicPETSC_solution%converged = .false.
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basicPETSC_solution%iterationsNeeded = itmax
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else
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basicPETSC_solution%converged = .true.
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basicPETSC_solution%iterationsNeeded = reportIter - 1_pInt
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endif
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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)
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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_FFTforward, &
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Utilities_FFTbackward, &
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Utilities_fourierConvolution, &
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Utilities_constitutiveResponse, &
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Utilities_divergenceRMS, &
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debugRotation
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use IO, only : IO_intOut
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implicit none
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DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: &
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in
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PetscScalar, dimension(3,3,res(1),res(2),res(3)) :: &
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x_scal, &
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f_scal
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PetscInt :: &
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iter, &
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nfuncs
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PetscObject :: dummy
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PetscErrorCode :: ierr
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integer(pInt), save :: callNo = 3_pInt
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logical :: report
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call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
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call SNESGetIterationNumber(snes,iter,ierr); CHKERRQ(ierr)
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!--------------------------------------------------------------------------------------------------
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! report begin of new iteration
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if (iter == 0 .and. callNo>2) then
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callNo = 0_pInt
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reportIter = 0_pInt
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endif
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if (callNo == 0 .or. mod(callNo,2) == 1_pInt) then
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write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
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' @ Iteration ', itmin, '≤',reportIter, '≤', itmax
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if (debugRotation) &
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write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab)=', &
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math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
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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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flush(6)
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reportIter = reportIter + 1_pInt
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endif
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callNo = callNo +1_pInt
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!--------------------------------------------------------------------------------------------------
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! evaluate constitutive response
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call Utilities_constitutiveResponse(F_lastInc,x_scal,params%temperature,params%timeinc, &
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f_scal,C,C_minmaxAvg,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_lastIter = F_aim
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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(abs(mask_stress * (P_av - params%P_BC))) ! mask = 0.0 for no 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(f_scal,[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_FFTforward()
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err_div = Utilities_divergenceRMS()
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call Utilities_fourierConvolution(math_rotate_backward33(F_aim_lastIter-F_aim,params%rotation_BC))
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call Utilities_FFTbackward()
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!--------------------------------------------------------------------------------------------------
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! constructing residual
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f_scal = reshape(field_real(1:res(1),1:res(2),1:res(3),1:3,1:3),shape(x_scal),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)
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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, &
|
|
err_stress_tolabs
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use math, only: &
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math_mul33x33, &
|
|
math_eigenvalues33, &
|
|
math_transpose33
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use FEsolving, only: &
|
|
terminallyIll
|
|
|
|
implicit none
|
|
SNES :: snes_local
|
|
PetscInt :: it
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|
PetscReal :: &
|
|
xnorm, &
|
|
snorm, &
|
|
fnorm
|
|
SNESConvergedReason :: reason
|
|
PetscObject :: dummy
|
|
PetscErrorCode :: ierr
|
|
logical :: Converged
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|
real(pReal) :: &
|
|
pAvgDivL2, &
|
|
err_stress_tol
|
|
|
|
err_stress_tol =min(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs)
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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. &
|
|
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
|