reordered PETSc initialization (now first part done in interface, setting of parameters done in numerics), removed unnecessary includes for PETSc
still not running with gfortran, use at own risk!
This commit is contained in:
Martin Diehl
parent
a86d528a4a
commit
3ada4897fb
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@ -30,6 +30,10 @@ module DAMASK_interface
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implicit none
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private
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#ifdef PETSc
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#include <finclude/petscsys.h>
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#endif
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logical, protected, public :: &
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appendToOutFile = .false. !< Append to existing spectralOut file (in case of restart, not in case of regridding)
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integer(pInt), protected, public :: &
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@ -61,6 +65,7 @@ subroutine DAMASK_interface_init(loadCaseParameterIn,geometryParameterIn)
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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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implicit none
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character(len=1024), optional, intent(in) :: &
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loadCaseParameterIn, &
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geometryParameterIn
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@ -83,6 +88,14 @@ subroutine DAMASK_interface_init(loadCaseParameterIn,geometryParameterIn)
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gotLoadCase = .false., &
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gotGeometry = .false.
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#ifdef PETSc
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PetscErrorCode :: ierr
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!--------------------------------------------------------------------------------------------------
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! PETSc Init
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call PetscInitialize(PETSC_NULL_CHARACTER,ierr) ! according to PETSc manual, that should be the first line in the code
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CHKERRQ(ierr) ! this is a macro definition, it is case sensitive
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#endif
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open(6, encoding='UTF-8') ! modern fortran compilers (gfortran >4.4, ifort >11 support it)
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write(6,'(a)') ''
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write(6,'(a)') ' <<<+- DAMASK_spectral_interface init -+>>>'
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@ -19,14 +19,8 @@ module DAMASK_spectral_SolverAL
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implicit none
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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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@ -44,9 +38,9 @@ module DAMASK_spectral_SolverAL
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!--------------------------------------------------------------------------------------------------
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! PETSc data
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DM, private :: da
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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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Vec, private :: solution_vec
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!--------------------------------------------------------------------------------------------------
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! common pointwise data
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@ -112,10 +106,9 @@ subroutine AL_init()
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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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PetscErrorCode :: ierr
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PetscObject :: dummy
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PetscMPIInt :: rank
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PetscScalar, pointer :: xx_psc(:,:,:,:), F(:,:,:,:), F_lambda(:,:,:,:)
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PetscScalar, pointer, dimension(:,:,:,:) :: xx_psc, F, F_lambda
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call Utilities_init()
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@ -135,24 +128,20 @@ subroutine AL_init()
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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 SNESCreate(PETSC_COMM_WORLD,snes,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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18,1,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,AL_formResidual,ierr_psc)
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call SNESSetDM(snes,da,ierr_psc)
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call SNESSetConvergenceTest(snes,AL_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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18,1,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,da,ierr)
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call DMCreateGlobalVector(da,solution_vec,ierr)
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call DMDASetLocalFunction(da,AL_formResidual,ierr)
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call SNESSetDM(snes,da,ierr)
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call SNESSetConvergenceTest(snes,AL_converged,dummy,PETSC_NULL_FUNCTION,ierr)
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call SNESSetFromOptions(snes,ierr)
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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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call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr)
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F => xx_psc(0:8,:,:,:)
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F_lambda => xx_psc(9:17,:,:,:)
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if (restartInc == 1_pInt) then ! no deformation (no restart)
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@ -192,9 +181,9 @@ subroutine AL_init()
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coordinates = 0.0 ! change it later!!!
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endif
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!print*, shape(F)
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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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call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr)
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!--------------------------------------------------------------------------------------------------
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! reference stiffness
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@ -258,9 +247,9 @@ subroutine AL_init()
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!--------------------------------------------------------------------------------------------------
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!
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PetscScalar, pointer :: xx_psc(:,:,:,:), F(:,:,:,:), F_lambda(:,:,:,:)
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PetscErrorCode ierr_psc
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SNESConvergedReason reason
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PetscScalar, dimension(:,:,:,:), pointer :: xx_psc, F, F_lambda
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PetscErrorCode :: ierr
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SNESConvergedReason ::reason
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!--------------------------------------------------------------------------------------------------
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! restart information for spectral solver
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@ -275,7 +264,7 @@ subroutine AL_init()
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close(777)
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endif
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AL_solution%converged =.false.
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call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr_psc)
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call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr)
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F => xx_psc(0:8,:,:,:)
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F_lambda => xx_psc(9:17,:,:,:)
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@ -323,7 +312,7 @@ else
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F = reshape(Utilities_forwardField(timeinc,F_aim,F_lastInc,Fdot),[9,res(1),res(2),res(3)])
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F_lambda = reshape(Utilities_forwardField(timeinc,F_aim,F_lambda_lastInc,F_lambdadot),[9,res(1),res(2),res(3)])
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call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr_psc)
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call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr)
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!--------------------------------------------------------------------------------------------------
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! update stiffness (and gamma operator)
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@ -336,8 +325,8 @@ else
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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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call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
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call SNESGetConvergedReason(snes,reason,ierr)
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AL_solution%termIll = terminallyIll
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terminallyIll = .false.
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@ -352,7 +341,7 @@ else
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!--------------------------------------------------------------------------------------------------
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!> @brief forms the AL residual vector
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!--------------------------------------------------------------------------------------------------
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subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr_psc)
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subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
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use numerics, only: &
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itmax, &
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@ -386,15 +375,15 @@ else
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PetscScalar, pointer :: residual_F(:,:,:,:,:), residual_F_lambda(:,:,:,:,:)
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PetscInt :: iter, nfuncs
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PetscObject :: dummy
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PetscErrorCode :: ierr_psc
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PetscErrorCode :: ierr
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F => x_scal(:,:,1,:,:,:)
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F_lambda => x_scal(:,:,2,:,:,:)
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residual_F => f_scal(:,:,1,:,:,:)
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residual_F_lambda => f_scal(:,:,2,:,:,:)
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call SNESGetNumberFunctionEvals(snes,nfuncs,ierr_psc)
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call SNESGetIterationNumber(snes,iter,ierr_psc)
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call SNESGetNumberFunctionEvals(snes,nfuncs,ierr)
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call SNESGetIterationNumber(snes,iter,ierr)
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!--------------------------------------------------------------------------------------------------
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! report begin of new iteration
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@ -454,7 +443,7 @@ else
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!--------------------------------------------------------------------------------------------------
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!> @brief convergence check
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!--------------------------------------------------------------------------------------------------
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subroutine AL_converged(snes_local,it,xnorm,snorm,fnorm,reason,dummy,ierr_psc)
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subroutine AL_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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@ -466,12 +455,12 @@ else
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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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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
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logical :: Converged
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Converged = (it > itmin .and. &
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@ -501,12 +490,12 @@ else
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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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PetscErrorCode :: ierr
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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 VecDestroy(solution_vec,ierr)
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call SNESDestroy(snes,ierr)
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call DMDestroy(da,ierr)
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call PetscFinalize(ierr)
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call Utilities_destroy()
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end subroutine AL_destroy
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@ -6,7 +6,7 @@
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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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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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@ -19,14 +19,8 @@ module DAMASK_spectral_SolverBasicPETSC
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implicit none
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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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@ -44,9 +38,9 @@ module DAMASK_spectral_SolverBasicPETSC
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!--------------------------------------------------------------------------------------------------
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! PETSc data
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DM, private :: da
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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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Vec, private :: solution_vec
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!--------------------------------------------------------------------------------------------------
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! common pointwise data
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@ -107,47 +101,46 @@ subroutine BasicPETSC_init()
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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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real(pReal), dimension(:,:,:,:,:), allocatable :: 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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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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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,'(/,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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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 (Fdot (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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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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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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call SNESCreate(PETSC_COMM_WORLD,snes,ierr)
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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_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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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)
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CHKERRQ(ierr)
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call DMDASetLocalFunction(da,BasicPETSC_formResidual,ierr)
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CHKERRQ(ierr)
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call SNESSetDM(snes,da,ierr)
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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)
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CHKERRQ(ierr)
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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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call DMDAVecGetArrayF90(da,solution_vec,F,ierr)
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CHKERRQ(ierr)
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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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@ -158,8 +151,9 @@ subroutine BasicPETSC_init()
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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,'convergedSpectralDefgrad',&
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trim(getSolverJobName()),size(F_lastInc))
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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,'convergedSpectralDefgrad_lastInc',&
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@ -175,9 +169,18 @@ subroutine BasicPETSC_init()
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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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print*, 'F', shape(F)
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print*, 'F_lastInc', shape(F_lastInc)
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print*, 'gfortran runs till here'
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flush(6)
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call Utilities_constitutiveResponse(coordinates,&
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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)]),&
|
||||
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)]),&
|
||||
temperature,0.0_pReal,P,C,P_av,.false.,math_I3)
|
||||
print*, 'gfortran does not reach this point'
|
||||
flush(6)
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr)
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! reference stiffness
|
||||
|
|
@ -237,8 +240,8 @@ subroutine BasicPETSC_init()
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!
|
||||
PetscScalar, pointer :: xx_psc(:,:,:,:), F(:,:,:,:)
|
||||
PetscErrorCode :: ierr_psc
|
||||
PetscScalar, pointer :: F(:,:,:,:)
|
||||
PetscErrorCode :: ierr
|
||||
SNESConvergedReason :: reason
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -253,12 +256,10 @@ subroutine BasicPETSC_init()
|
|||
write (777,rec=1) C
|
||||
close(777)
|
||||
endif
|
||||
call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr_psc)
|
||||
F => xx_psc(0:8,:,:,:)
|
||||
call DMDAVecGetArrayF90(da,solution_vec,F,ierr)
|
||||
|
||||
if ( cutBack) then
|
||||
F_aim = F_aim_lastInc
|
||||
|
||||
F = reshape(F_lastInc,[9,res(1),res(2),res(3)])
|
||||
C = C_lastInc
|
||||
else
|
||||
|
|
@ -288,7 +289,7 @@ else
|
|||
|
||||
|
||||
F = reshape(Utilities_forwardField(timeinc,F_aim,F_lastInc,Fdot),[9,res(1),res(2),res(3)])
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr_psc)
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr)
|
||||
call deformed_fft(res,geomdim,math_rotate_backward33(F_aim,rotation_BC),1.0_pReal,F_lastInc,coordinates)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -302,8 +303,8 @@ else
|
|||
params%rotation_BC = rotation_BC
|
||||
params%timeinc = timeinc
|
||||
|
||||
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr_psc)
|
||||
call SNESGetConvergedReason(snes,reason,ierr_psc)
|
||||
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
|
||||
call SNESGetConvergedReason(snes,reason,ierr)
|
||||
basicPETSc_solution%termIll = terminallyIll
|
||||
terminallyIll = .false.
|
||||
BasicPETSC_solution%converged =.false.
|
||||
|
|
@ -316,7 +317,7 @@ else
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief forms the AL residual vector
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr_psc)
|
||||
subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||
|
||||
use numerics, only: &
|
||||
itmax, &
|
||||
|
|
@ -340,19 +341,15 @@ else
|
|||
|
||||
real(pReal), dimension(3,3) :: F_aim_lab_lastIter, F_aim_lab
|
||||
|
||||
DMDALocalInfo :: in(DMDA_LOCAL_INFO_SIZE)
|
||||
PetscScalar, target :: x_scal(3,3,XG_RANGE,YG_RANGE,ZG_RANGE)
|
||||
PetscScalar, target :: f_scal(3,3,X_RANGE,Y_RANGE,Z_RANGE)
|
||||
PetscScalar, pointer :: F(:,:,:,:,:)
|
||||
PetscScalar, pointer :: residual_F(:,:,:,:,:)
|
||||
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in
|
||||
PetscScalar, dimension(3,3,XG_RANGE,YG_RANGE,ZG_RANGE) :: x_scal
|
||||
PetscScalar, dimension(3,3,X_RANGE,Y_RANGE,Z_RANGE):: f_scal
|
||||
PetscInt :: iter, nfuncs
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode :: ierr_psc
|
||||
F => x_scal(:,:,:,:,:)
|
||||
residual_F => f_scal(:,:,:,:,:)
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr_psc)
|
||||
call SNESGetIterationNumber(snes,iter,ierr_psc)
|
||||
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr)
|
||||
call SNESGetIterationNumber(snes,iter,ierr)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! report begin of new iteration
|
||||
|
|
@ -364,8 +361,8 @@ else
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! evaluate constitutive response
|
||||
call Utilities_constitutiveResponse(coordinates,F_lastInc,F,temperature,params%timeinc, &
|
||||
residual_F,C,P_av,ForwardData,params%rotation_BC)
|
||||
call Utilities_constitutiveResponse(coordinates,F_lastInc,x_scal,temperature,params%timeinc, &
|
||||
f_scal,C,P_av,ForwardData,params%rotation_BC)
|
||||
ForwardData = .false.
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -377,7 +374,7 @@ else
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! updated deformation gradient using fix point algorithm of basic scheme
|
||||
field_real = 0.0_pReal
|
||||
field_real(1:res(1),1:res(2),1:res(3),1:3,1:3) = reshape(residual_F,[res(1),res(2),res(3),3,3],&
|
||||
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],&
|
||||
order=[4,5,1,2,3]) ! field real has a different order
|
||||
call Utilities_FFTforward()
|
||||
err_div = Utilities_divergenceRMS()
|
||||
|
|
@ -386,14 +383,14 @@ else
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! constructing residual
|
||||
residual_F = reshape(field_real(1:res(1),1:res(2),1:res(3),1:3,1:3),shape(F),order=[3,4,5,1,2])
|
||||
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])
|
||||
write(6,'(/,a)') '=========================================================================='
|
||||
end subroutine BasicPETSC_formResidual
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief convergence check
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine BasicPETSC_converged(snes_local,it,xnorm,snorm,fnorm,reason,dummy,ierr_psc)
|
||||
subroutine BasicPETSC_converged(snes_local,it,xnorm,snorm,fnorm,reason,dummy,ierr)
|
||||
|
||||
use numerics, only: &
|
||||
itmax, &
|
||||
|
|
@ -409,12 +406,12 @@ else
|
|||
|
||||
implicit none
|
||||
|
||||
SNES snes_local
|
||||
PetscInt it
|
||||
PetscReal xnorm, snorm, fnorm
|
||||
SNESConvergedReason reason
|
||||
PetscObject dummy
|
||||
PetscErrorCode ierr_psc
|
||||
SNES :: snes_local
|
||||
PetscInt :: it
|
||||
PetscReal :: xnorm, snorm, fnorm
|
||||
SNESConvergedReason :: reason
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode :: ierr
|
||||
logical :: Converged
|
||||
real(pReal) :: pAvgDivL2
|
||||
|
||||
|
|
@ -446,12 +443,12 @@ else
|
|||
use DAMASK_spectral_Utilities, only: &
|
||||
Utilities_destroy
|
||||
implicit none
|
||||
PetscErrorCode ierr_psc
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
call VecDestroy(solution_vec,ierr_psc)
|
||||
call SNESDestroy(snes,ierr_psc)
|
||||
call DMDestroy(da,ierr_psc)
|
||||
call PetscFinalize(ierr_psc)
|
||||
call VecDestroy(solution_vec,ierr)
|
||||
call SNESDestroy(snes,ierr)
|
||||
call DMDestroy(da,ierr)
|
||||
call PetscFinalize(ierr)
|
||||
call Utilities_destroy()
|
||||
|
||||
end subroutine BasicPETSC_destroy
|
||||
|
|
|
|||
|
|
@ -657,6 +657,7 @@ subroutine utilities_constitutiveResponse(coordinates,F_lastInc,F,temperature,ti
|
|||
endif
|
||||
|
||||
if (DebugGeneral) write(6,*) 'collect mode: ', collectMode,' calc mode: ', calcMode
|
||||
flush(6)
|
||||
|
||||
ielem = 0_pInt
|
||||
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
|
||||
|
|
|
|||
|
|
@ -25,6 +25,9 @@ module numerics
|
|||
use prec, only: pInt, pReal
|
||||
|
||||
implicit none
|
||||
#ifdef PETSc
|
||||
#include <finclude/petscsys.h>
|
||||
#endif
|
||||
character(len=64), parameter, private :: &
|
||||
numerics_configFile = 'numerics.config' !< name of configuration file
|
||||
|
||||
|
|
@ -132,6 +135,9 @@ subroutine numerics_init
|
|||
implicit none
|
||||
#ifdef Marc ! use the non F90 standard include file because some versions of Marc and Abaqus crash when using the module
|
||||
!$ include "omp_lib.h"
|
||||
#endif
|
||||
#ifdef PETSc
|
||||
PetscErrorCode :: ierr
|
||||
#endif
|
||||
integer(pInt), parameter :: fileunit = 300_pInt ,&
|
||||
maxNchunks = 2_pInt
|
||||
|
|
@ -326,7 +332,11 @@ subroutine numerics_init
|
|||
fftw_planner_flag = 32_pInt
|
||||
end select
|
||||
#endif
|
||||
|
||||
#ifdef PETSc
|
||||
call PetscOptionsInsertString(petsc_options,ierr)
|
||||
write(6,'(a)') ' Initializing PETSc'
|
||||
CHKERRQ(ierr)
|
||||
#endif
|
||||
!* writing parameters to output file
|
||||
|
||||
write(6,'(a24,1x,es8.1)') ' relevantStrain: ',relevantStrain
|
||||
|
|
|
|||
Loading…
Reference in New Issue