2012-08-06 14:23:12 +05:30
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!--------------------------------------------------------------------------------------------------
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2012-11-12 19:44:39 +05:30
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! $Id: DAMASK_spectral_solverAL.f90 1654 2012-08-03 09:25:48Z MPIE\m.diehl $
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2012-08-06 14:23:12 +05:30
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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 AL scheme solver
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!--------------------------------------------------------------------------------------------------
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2012-11-12 19:44:39 +05:30
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module DAMASK_spectral_solverAL
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2012-08-06 14:23:12 +05:30
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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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2012-11-12 19:44:39 +05:30
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use DAMASK_spectral_utilities, only: &
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2012-10-02 20:56:56 +05:30
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tSolutionState
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2012-07-25 19:31:39 +05:30
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2012-08-06 14:23:12 +05:30
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implicit none
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2012-08-06 18:13:05 +05:30
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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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2012-08-06 14:23:12 +05:30
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character (len=*), parameter, public :: &
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2012-10-02 20:56:56 +05:30
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DAMASK_spectral_SolverAL_label = 'al'
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2012-08-06 14:23:12 +05:30
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!--------------------------------------------------------------------------------------------------
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2012-11-12 19:44:39 +05:30
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! derived types ToDo: use here the type definition for a full loadcase including mask
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2012-10-02 20:56:56 +05:30
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type tSolutionParams
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2012-08-06 14:23:12 +05:30
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real(pReal), dimension(3,3) :: P_BC, rotation_BC
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real(pReal) :: timeinc
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2013-01-09 23:38:08 +05:30
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real(pReal) :: temperature
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2012-10-02 20:56:56 +05:30
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end type tSolutionParams
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2012-07-26 19:28:47 +05:30
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2012-10-02 20:56:56 +05:30
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type(tSolutionParams), private :: params
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2012-11-12 19:44:39 +05:30
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real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
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2012-08-06 14:23:12 +05:30
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!--------------------------------------------------------------------------------------------------
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! PETSc data
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2012-11-06 21:30:51 +05:30
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DM, private :: da
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2012-10-02 20:56:56 +05:30
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SNES, private :: snes
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2012-11-06 21:30:51 +05:30
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Vec, private :: solution_vec
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2012-08-06 14:23:12 +05:30
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!--------------------------------------------------------------------------------------------------
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! common pointwise data
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2012-11-12 19:44:39 +05:30
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real(pReal), private, dimension(:,:,:,:,:), allocatable :: &
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F_lastInc, & !< field of previous compatible deformation gradients
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F_lambda_lastInc, & !< field of previous incompatible deformation gradient
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Fdot, & !< field of assumed rate of compatible deformation gradient
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F_lambdaDot !< field of assumed rate of incopatible deformation gradient
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2013-01-09 23:38:08 +05:30
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2012-08-06 14:23:12 +05:30
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!--------------------------------------------------------------------------------------------------
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! stress, stiffness and compliance average etc.
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2012-10-02 20:56:56 +05:30
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real(pReal), private, dimension(3,3) :: &
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2012-11-12 19:44:39 +05:30
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F_aimDot, & !< assumed rate of average deformation gradient
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F_aim = math_I3, & !< current prescribed deformation gradient
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F_aim_lastInc = math_I3, & !< previous average deformation gradient
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P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress
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character(len=1024), private :: incInfo !< time and increment information
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2012-10-02 20:56:56 +05:30
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real(pReal), private, dimension(3,3,3,3) :: &
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2012-11-12 19:44:39 +05:30
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C = 0.0_pReal, & !< current average stiffness
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C_lastInc = 0.0_pReal, & !< previous average stiffness
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S = 0.0_pReal, & !< current compliance (filled up with zeros)
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C_scale = 0.0_pReal, &
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2012-10-02 20:56:56 +05:30
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S_scale = 0.0_pReal
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2012-07-25 19:31:39 +05:30
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2012-11-12 19:44:39 +05:30
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real(pReal), private :: &
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err_stress, & !< deviation from stress BC
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err_f, & !< difference between compatible and incompatible deformation gradient
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err_p !< difference of stress resulting from compatible and incompatible F
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logical, private :: ForwardData
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2013-01-10 03:49:32 +05:30
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integer(pInt), private :: reportIter = 0_pInt
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2012-10-02 20:56:56 +05:30
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contains
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2012-07-25 19:31:39 +05:30
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2012-08-06 14:23:12 +05:30
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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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2013-01-09 23:38:08 +05:30
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subroutine AL_init(temperature)
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2012-11-12 19:44:39 +05:30
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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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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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2012-12-14 23:00:22 +05:30
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wgt, &
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2012-11-14 20:08:10 +05:30
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mesh_NcpElems, &
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mesh_ipCoordinates
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2012-11-12 19:44:39 +05:30
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use math, only: &
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math_invSym3333
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2012-07-25 19:31:39 +05:30
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2012-11-12 19:44:39 +05:30
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implicit none
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2013-01-09 23:38:08 +05:30
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real(pReal), intent(inout) :: &
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temperature
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2012-11-07 18:41:41 +05:30
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#include <finclude/petscdmda.h90>
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#include <finclude/petscsnes.h90>
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2012-11-12 19:44:39 +05:30
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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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2012-12-14 23:00:22 +05:30
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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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temp3333_Real2 = 0.0_pReal
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2012-11-12 19:44:39 +05:30
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PetscErrorCode :: ierr
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PetscObject :: dummy
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PetscScalar, pointer, dimension(:,:,:,:) :: xx_psc, F, F_lambda
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call Utilities_init()
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write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverAL init -+>>>'
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write(6,'(a)') ' $Id: DAMASK_spectral_SolverAL.f90 1654 2012-08-03 09:25:48Z MPIE\m.diehl $'
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2012-08-06 18:13:05 +05:30
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#include "compilation_info.f90"
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2013-01-10 03:49:32 +05:30
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2012-11-12 19:44:39 +05:30
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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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2012-10-02 20:56:56 +05:30
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! allocate (Fdot,source = F_lastInc) somethin like that should be possible
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2012-11-12 19:44:39 +05:30
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allocate (F_lambda_lastInc(3,3, res(1), res(2),res(3)), source = 0.0_pReal)
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allocate (F_lambdaDot(3,3, res(1), res(2),res(3)), source = 0.0_pReal)
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2012-08-09 18:34:56 +05:30
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2012-11-12 19:44:39 +05:30
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!--------------------------------------------------------------------------------------------------
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! PETSc Init
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2012-12-17 15:48:39 +05:30
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call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
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2012-11-12 19:44:39 +05:30
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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)
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CHKERRQ(ierr)
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2012-12-17 15:48:39 +05:30
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call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr)
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call DMDASetLocalFunction(da,AL_formResidual,ierr); CHKERRQ(ierr)
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call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
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2012-11-12 19:44:39 +05:30
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call SNESSetConvergenceTest(snes,AL_converged,dummy,PETSC_NULL_FUNCTION,ierr)
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CHKERRQ(ierr)
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2013-01-09 03:24:25 +05:30
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call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr)
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2012-11-12 19:44:39 +05:30
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!--------------------------------------------------------------------------------------------------
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! init fields
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2012-12-17 15:48:39 +05:30
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call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! places pointer xx_psc on PETSc data
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2012-11-12 19:44:39 +05:30
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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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F_lastInc = spread(spread(spread(math_I3,3,res(1)),4,res(2)),5,res(3)) ! initialize to identity
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F_lambda_lastInc = F_lastInc
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F = reshape(F_lastInc,[9,res(1),res(2),res(3)])
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F_lambda = F
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elseif (restartInc > 1_pInt) then ! using old values from file
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2013-01-10 03:49:32 +05:30
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if (debugRestart) write(6,'(/,a,i6,a)') ' reading values of increment ',&
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2012-11-12 19:44:39 +05:30
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restartInc - 1_pInt,' from file'
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2012-12-14 23:00:22 +05:30
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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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2012-11-12 19:44:39 +05:30
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read (777,rec=1) F
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close (777)
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2012-12-14 23:00:22 +05:30
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call IO_read_jobBinaryFile(777,'F_lastInc',&
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2012-11-12 19:44:39 +05:30
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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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2012-12-14 23:00:22 +05:30
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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_lambda',&
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trim(getSolverJobName()),size(F_lambda))
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2012-11-12 19:44:39 +05:30
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read (777,rec=1) F_lambda
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close (777)
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2012-12-14 23:00:22 +05:30
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call IO_read_jobBinaryFile(777,'F_lambda_lastInc',&
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trim(getSolverJobName()),size(F_lambda_lastInc))
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2012-11-12 19:44:39 +05:30
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read (777,rec=1) F_lambda_lastInc
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close (777)
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2012-12-14 23:00:22 +05:30
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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',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,'F_aimDot',trim(getSolverJobName()),size(f_aimDot))
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read (777,rec=1) f_aimDot
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2012-11-12 19:44:39 +05:30
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close (777)
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2012-12-14 23:00:22 +05:30
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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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2012-11-12 19:44:39 +05:30
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close (777)
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endif
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2012-11-14 20:08:10 +05:30
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mesh_ipCoordinates = 0.0_pReal !reshape(mesh_deformedCoordsFFT(geomdim,&
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!reshape(F,[3,3,res(1),res(2),res(3)])),[3,1,mesh_NcpElems])
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2012-12-14 23:00:22 +05:30
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call Utilities_constitutiveResponse(F,F,temperature,0.0_pReal,P,temp3333_Real2,&
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temp33_Real,.false.,math_I3)
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2012-12-17 15:48:39 +05:30
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call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr)
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2012-11-12 19:44:39 +05:30
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!--------------------------------------------------------------------------------------------------
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! reference stiffness
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2012-12-14 23:00:22 +05:30
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if (restartInc == 1_pInt) then ! use initial stiffness as reference stiffness
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temp3333_Real = temp3333_Real2
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C = temp3333_Real2
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endif
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2012-11-12 19:44:39 +05:30
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2012-12-14 23:00:22 +05:30
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call Utilities_updateGamma(temp3333_Real,.True.)
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C_scale = temp3333_Real
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S_scale = math_invSym3333(temp3333_Real)
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2012-07-25 19:31:39 +05:30
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2012-11-12 19:44:39 +05:30
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end subroutine AL_init
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2012-08-06 14:23:12 +05:30
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!--------------------------------------------------------------------------------------------------
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!> @brief solution for the AL scheme with internal iterations
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!--------------------------------------------------------------------------------------------------
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2012-11-12 19:44:39 +05:30
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type(tSolutionState) function &
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2012-11-09 01:02:00 +05:30
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AL_solution(incInfoIn,guess,timeinc,timeinc_old,P_BC,F_BC,temperature_bc,rotation_BC)
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2012-11-12 19:44:39 +05:30
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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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use mesh, only: &
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res,&
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geomdim,&
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2012-11-14 20:08:10 +05:30
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mesh_ipCoordinates
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2012-11-12 19:44:39 +05:30
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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_forwardField, &
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Utilities_calculateRate, &
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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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2012-11-07 18:41:41 +05:30
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#include <finclude/petscdmda.h90>
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#include <finclude/petscsnes.h90>
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2012-08-06 14:23:12 +05:30
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!--------------------------------------------------------------------------------------------------
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! input data for solution
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2012-12-17 15:48:39 +05:30
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real(pReal), intent(in) :: &
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timeinc, &
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timeinc_old, &
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temperature_bc
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logical, intent(in) :: &
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guess
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type(tBoundaryCondition), intent(in) :: &
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P_BC, &
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F_BC
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character(len=*), intent(in) :: &
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incInfoIn
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2012-11-12 19:44:39 +05:30
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real(pReal), dimension(3,3), intent(in) :: rotation_BC
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2012-08-06 14:23:12 +05:30
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!--------------------------------------------------------------------------------------------------
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2012-11-12 19:44:39 +05:30
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! PETSc Data
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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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2012-08-10 22:31:58 +05:30
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|
|
2012-12-14 23:00:22 +05:30
|
|
|
incInfo = incInfoIn
|
|
|
|
|
|
|
|
call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr)
|
|
|
|
F => xx_psc(0:8,:,:,:)
|
|
|
|
F_lambda => xx_psc(9:17,:,:,:)
|
|
|
|
|
2012-08-06 14:23:12 +05:30
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
! restart information for spectral solver
|
2012-11-12 19:44:39 +05:30
|
|
|
if (restartWrite) then
|
2013-01-10 03:49:32 +05:30
|
|
|
write(6,'(/,a)') ' writing converged results for restart'
|
|
|
|
flush(6)
|
2012-12-14 23:00:22 +05:30
|
|
|
call IO_write_jobBinaryFile(777,'F',size(F)) ! writing deformation gradient field to file
|
|
|
|
write (777,rec=1) F
|
|
|
|
close (777)
|
|
|
|
call IO_write_jobBinaryFile(777,'F_lastInc',size(F_lastInc)) ! writing F_lastInc field to file
|
|
|
|
write (777,rec=1) F_lastInc
|
|
|
|
close (777)
|
|
|
|
call IO_write_jobBinaryFile(777,'F_lambda',size(F_lambda)) ! writing deformation gradient field to file
|
|
|
|
write (777,rec=1) F_lambda
|
|
|
|
close (777)
|
|
|
|
call IO_write_jobBinaryFile(777,'F_lambda_lastInc',size(F_lambda_lastInc)) ! writing F_lastInc field to file
|
|
|
|
write (777,rec=1) F_lambda_lastInc
|
2012-11-12 19:44:39 +05:30
|
|
|
close (777)
|
|
|
|
call IO_write_jobBinaryFile(777,'C',size(C))
|
|
|
|
write (777,rec=1) C
|
|
|
|
close(777)
|
2012-12-14 23:00:22 +05:30
|
|
|
call IO_write_jobBinaryFile(777,'C_lastInc',size(C_lastInc))
|
|
|
|
write (777,rec=1) C_lastInc
|
|
|
|
close(777)
|
|
|
|
call IO_write_jobBinaryFile(777,'F_aimDot',size(F_aimDot))
|
|
|
|
write (777,rec=1) F_aimDot
|
|
|
|
close(777)
|
2012-11-12 19:44:39 +05:30
|
|
|
endif
|
|
|
|
AL_solution%converged =.false.
|
|
|
|
|
|
|
|
if ( cutBack) then
|
|
|
|
F_aim = F_aim_lastInc
|
|
|
|
F_lambda= reshape(F_lambda_lastInc,[9,res(1),res(2),res(3)])
|
|
|
|
F = reshape(F_lastInc,[9,res(1),res(2),res(3)])
|
|
|
|
C = C_lastInc
|
|
|
|
else
|
2012-10-02 20:56:56 +05:30
|
|
|
C_lastInc = C
|
2012-08-06 14:23:12 +05:30
|
|
|
!--------------------------------------------------------------------------------------------------
|
2012-10-02 20:56:56 +05:30
|
|
|
! calculate rate for aim
|
|
|
|
if (F_BC%myType=='l') then ! calculate f_aimDot from given L and current F
|
|
|
|
f_aimDot = F_BC%maskFloat * math_mul33x33(F_BC%values, F_aim)
|
|
|
|
elseif(F_BC%myType=='fdot') then ! f_aimDot is prescribed
|
|
|
|
f_aimDot = F_BC%maskFloat * F_BC%values
|
2012-08-06 14:23:12 +05:30
|
|
|
endif
|
2012-11-12 19:44:39 +05:30
|
|
|
if (guess) f_aimDot = f_aimDot + P_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old
|
2012-10-02 20:56:56 +05:30
|
|
|
F_aim_lastInc = F_aim
|
|
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
! update coordinates and rate and forward last inc
|
2012-11-14 20:08:10 +05:30
|
|
|
mesh_ipCoordinates = 0.0_pReal !reshape(mesh_deformedCoordsFFT(geomdim,&
|
|
|
|
!reshape(F,[3,3,res(1),res(2),res(3)])),[3,1,mesh_NcpElems])
|
2012-10-02 20:56:56 +05:30
|
|
|
Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
|
2012-11-28 20:34:05 +05:30
|
|
|
timeinc_old,guess,F_lastInc,reshape(F,[3,3,res(1),res(2),res(3)]))
|
2012-10-02 20:56:56 +05:30
|
|
|
F_lambdaDot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
|
2012-11-28 20:34:05 +05:30
|
|
|
timeinc_old,guess,F_lambda_lastInc,reshape(F_lambda,[3,3,res(1),res(2),res(3)]))
|
2012-10-02 20:56:56 +05:30
|
|
|
|
2012-12-17 15:48:39 +05:30
|
|
|
F_lastInc = reshape(F, [3,3,res(1),res(2),res(3)])
|
2012-10-02 20:56:56 +05:30
|
|
|
F_lambda_lastInc = reshape(F_lambda,[3,3,res(1),res(2),res(3)])
|
|
|
|
endif
|
|
|
|
F_aim = F_aim + f_aimDot * timeinc
|
|
|
|
|
2012-08-06 14:23:12 +05:30
|
|
|
!--------------------------------------------------------------------------------------------------
|
2012-12-17 15:48:39 +05:30
|
|
|
! update local deformation gradient
|
2013-01-08 15:42:03 +05:30
|
|
|
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! ensure that it matches rotated F_aim
|
|
|
|
math_rotate_backward33(F_aim,rotation_BC)),[9,res(1),res(2),res(3)])
|
|
|
|
F_lambda = reshape(Utilities_forwardField(timeinc,F_lambda_lastInc,F_lambdadot), & ! does not have any average value as boundary condition
|
|
|
|
[9,res(1),res(2),res(3)])
|
2012-10-02 20:56:56 +05:30
|
|
|
|
2012-11-12 19:44:39 +05:30
|
|
|
call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr)
|
|
|
|
CHKERRQ(ierr)
|
2012-10-02 20:56:56 +05:30
|
|
|
|
2012-08-06 14:23:12 +05:30
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
! update stiffness (and gamma operator)
|
2012-11-12 19:44:39 +05:30
|
|
|
S = Utilities_maskedCompliance(rotation_BC,P_BC%maskLogical,C)
|
|
|
|
if (update_gamma) call Utilities_updateGamma(C,restartWrite)
|
|
|
|
|
|
|
|
ForwardData = .True.
|
|
|
|
mask_stress = P_BC%maskFloat
|
|
|
|
params%P_BC = P_BC%values
|
|
|
|
params%rotation_BC = rotation_BC
|
|
|
|
params%timeinc = timeinc
|
2013-01-09 23:38:08 +05:30
|
|
|
params%temperature = temperature_bc
|
2012-11-12 19:44:39 +05:30
|
|
|
|
|
|
|
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
|
|
|
|
CHKERRQ(ierr)
|
|
|
|
call SNESGetConvergedReason(snes,reason,ierr)
|
|
|
|
CHKERRQ(ierr)
|
|
|
|
|
|
|
|
AL_solution%termIll = terminallyIll
|
|
|
|
terminallyIll = .false.
|
|
|
|
if (reason > 0 ) then
|
|
|
|
AL_solution%converged = .true.
|
|
|
|
AL_solution%iterationsNeeded = reportIter
|
|
|
|
endif
|
|
|
|
|
|
|
|
end function AL_solution
|
2012-10-02 20:56:56 +05:30
|
|
|
|
2012-08-03 14:55:48 +05:30
|
|
|
|
2012-08-06 22:57:53 +05:30
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
!> @brief forms the AL residual vector
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
2012-11-12 19:44:39 +05:30
|
|
|
subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
2012-08-06 14:23:12 +05:30
|
|
|
|
2012-11-12 19:44:39 +05:30
|
|
|
use numerics, only: &
|
|
|
|
itmax, &
|
|
|
|
itmin
|
|
|
|
use math, only: &
|
|
|
|
math_rotate_backward33, &
|
|
|
|
math_transpose33, &
|
|
|
|
math_mul3333xx33
|
|
|
|
use mesh, only: &
|
|
|
|
res, &
|
|
|
|
wgt
|
|
|
|
use DAMASK_spectral_Utilities, only: &
|
|
|
|
field_real, &
|
|
|
|
Utilities_FFTforward, &
|
|
|
|
Utilities_fourierConvolution, &
|
|
|
|
Utilities_FFTbackward, &
|
2012-12-17 15:48:39 +05:30
|
|
|
Utilities_constitutiveResponse, &
|
|
|
|
debugRotation
|
2012-11-12 19:44:39 +05:30
|
|
|
use IO, only: IO_intOut
|
|
|
|
|
|
|
|
implicit none
|
|
|
|
integer(pInt) :: i,j,k
|
|
|
|
integer(pInt), save :: callNo = 3_pInt
|
|
|
|
real(pReal), dimension(3,3) :: temp33_Real
|
|
|
|
logical :: report
|
|
|
|
|
|
|
|
DMDALocalInfo :: in(DMDA_LOCAL_INFO_SIZE)
|
|
|
|
PetscScalar, target :: x_scal(3,3,2,XG_RANGE,YG_RANGE,ZG_RANGE)
|
|
|
|
PetscScalar, target :: f_scal(3,3,2,X_RANGE,Y_RANGE,Z_RANGE)
|
|
|
|
PetscScalar, pointer :: F(:,:,:,:,:), F_lambda(:,:,:,:,:)
|
|
|
|
PetscScalar, pointer :: residual_F(:,:,:,:,:), residual_F_lambda(:,:,:,:,:)
|
|
|
|
PetscInt :: iter, nfuncs
|
|
|
|
PetscObject :: dummy
|
|
|
|
PetscErrorCode :: ierr
|
|
|
|
|
|
|
|
F => x_scal(:,:,1,:,:,:)
|
|
|
|
F_lambda => x_scal(:,:,2,:,:,:)
|
|
|
|
residual_F => f_scal(:,:,1,:,:,:)
|
|
|
|
residual_F_lambda => f_scal(:,:,2,:,:,:)
|
|
|
|
|
2013-01-10 03:49:32 +05:30
|
|
|
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
|
|
|
call SNESGetIterationNumber(snes,iter,ierr); CHKERRQ(ierr)
|
2012-11-12 19:44:39 +05:30
|
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
! report begin of new iteration
|
2012-10-02 20:56:56 +05:30
|
|
|
if (iter == 0 .and. callNo>2) then
|
|
|
|
callNo = 0_pInt
|
|
|
|
reportIter = 0_pInt
|
|
|
|
endif
|
|
|
|
if (callNo == 0 .or. mod(callNo,2) == 1_pInt) then
|
2013-01-10 03:49:32 +05:30
|
|
|
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
|
|
|
|
' @ Iteration ', itmin, '≤',reportIter, '≤', itmax
|
2012-12-17 15:48:39 +05:30
|
|
|
if (debugRotation) &
|
2013-01-10 03:49:32 +05:30
|
|
|
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab) =', &
|
2012-12-17 15:48:39 +05:30
|
|
|
math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
|
2013-01-10 03:49:32 +05:30
|
|
|
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim =', &
|
2012-12-17 15:48:39 +05:30
|
|
|
math_transpose33(F_aim)
|
2013-01-10 03:49:32 +05:30
|
|
|
flush(6)
|
2012-10-02 20:56:56 +05:30
|
|
|
reportIter = reportIter + 1_pInt
|
|
|
|
endif
|
|
|
|
callNo = callNo +1_pInt
|
|
|
|
|
2012-11-12 19:44:39 +05:30
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
! evaluate constitutive response
|
2013-01-09 23:38:08 +05:30
|
|
|
call Utilities_constitutiveResponse(F_lastInc,F,params%temperature,params%timeinc, &
|
2012-11-12 19:44:39 +05:30
|
|
|
residual_F,C,P_av,ForwardData,params%rotation_BC)
|
|
|
|
ForwardData = .False.
|
|
|
|
|
2012-08-06 14:23:12 +05:30
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
! stress BC handling
|
2012-11-12 19:44:39 +05:30
|
|
|
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%P_BC))) ! S = 0.0 for no bc
|
|
|
|
err_stress = maxval(abs(mask_stress * (P_av - params%P_BC))) ! mask = 0.0 for no bc
|
|
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
!
|
|
|
|
field_real = 0.0_pReal
|
|
|
|
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
|
|
|
|
temp33_Real = math_mul3333xx33(S_scale,residual_F(1:3,1:3,i,j,k)) + math_I3
|
|
|
|
residual_F(1:3,1:3,i,j,k) = temp33_Real
|
|
|
|
field_real(i,j,k,1:3,1:3) = -math_mul3333xx33(C_scale,F_lambda(1:3,1:3,i,j,k)-F(1:3,1:3,i,j,k))
|
|
|
|
enddo; enddo; enddo
|
|
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
! doing convolution in Fourier space
|
|
|
|
call Utilities_FFTforward()
|
|
|
|
call Utilities_fourierConvolution(math_rotate_backward33(F_aim,params%rotation_BC))
|
|
|
|
call Utilities_FFTbackward()
|
|
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
! constructing residual
|
|
|
|
residual_F_lambda = F - reshape(field_real(1:res(1),1:res(2),1:res(3),1:3,1:3),&
|
|
|
|
[3,3,res(1),res(2),res(3)],order=[3,4,5,1,2])
|
|
|
|
residual_F = residual_F - F_lambda + residual_F_lambda
|
|
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
! calculating errors
|
|
|
|
err_f = wgt*sqrt(sum(residual_F_lambda**2.0_pReal))
|
|
|
|
err_p = wgt*sqrt(sum((residual_F - residual_F_lambda)**2.0_pReal))
|
2012-08-09 18:34:56 +05:30
|
|
|
|
2012-11-12 19:44:39 +05:30
|
|
|
end subroutine AL_formResidual
|
|
|
|
|
2012-08-06 14:23:12 +05:30
|
|
|
|
2012-08-06 22:57:53 +05:30
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
!> @brief convergence check
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
2012-11-12 19:44:39 +05:30
|
|
|
subroutine AL_converged(snes_local,it,xnorm,snorm,fnorm,reason,dummy,ierr)
|
|
|
|
use numerics, only: &
|
|
|
|
itmax, &
|
|
|
|
itmin, &
|
|
|
|
err_f_tol, &
|
|
|
|
err_p_tol, &
|
|
|
|
err_stress_tolrel, &
|
|
|
|
err_stress_tolabs
|
|
|
|
|
2013-01-10 03:49:32 +05:30
|
|
|
implicit none
|
2012-11-12 19:44:39 +05:30
|
|
|
SNES :: snes_local
|
|
|
|
PetscInt :: it
|
2013-01-10 03:49:32 +05:30
|
|
|
PetscReal :: &
|
|
|
|
xnorm, &
|
|
|
|
snorm, &
|
|
|
|
fnorm
|
2012-11-12 19:44:39 +05:30
|
|
|
SNESConvergedReason :: reason
|
|
|
|
PetscObject :: dummy
|
|
|
|
PetscErrorCode ::ierr
|
|
|
|
logical :: Converged
|
2013-01-10 03:49:32 +05:30
|
|
|
real(pReal) :: err_stress_tol
|
|
|
|
|
|
|
|
err_stress_tol = min(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs)
|
2012-11-12 19:44:39 +05:30
|
|
|
Converged = (it > itmin .and. &
|
2013-01-10 03:49:32 +05:30
|
|
|
all([ err_f/sqrt(sum((F_aim-math_I3)**2.0_pReal))/err_f_tol, &
|
|
|
|
err_p/sqrt(sum((F_aim-math_I3)**2.0_pReal))/err_p_tol, &
|
|
|
|
err_stress/err_stress_tol] < 1.0_pReal))
|
2012-11-12 19:44:39 +05:30
|
|
|
|
|
|
|
if (Converged) then
|
|
|
|
reason = 1
|
2013-01-10 03:49:32 +05:30
|
|
|
elseif (it >= itmax) then
|
2012-11-12 19:44:39 +05:30
|
|
|
reason = -1
|
|
|
|
else
|
|
|
|
reason = 0
|
|
|
|
endif
|
2013-01-10 03:49:32 +05:30
|
|
|
write(6,'(1/,a)') ' ... reporting ....................................................'
|
|
|
|
write(6,'(/,a,f8.2,a,es11.5,a,es11.4,a)') ' mismatch F = ', &
|
|
|
|
err_f/sqrt(sum((F_aim-math_I3)**2.0_pReal))/err_f_tol, &
|
|
|
|
' (',err_f/sqrt(sum((F_aim-math_I3)**2.0_pReal)),' -, tol =',err_f_tol,')'
|
|
|
|
write(6,'(a,f8.2,a,es11.5,a,es11.4,a)') ' mismatch P = ', &
|
|
|
|
err_p/sqrt(sum((F_aim-math_I3)**2.0_pReal))/err_p_tol, &
|
|
|
|
' (',err_p/sqrt(sum((F_aim-math_I3)**2.0_pReal)),' -, tol =',err_p_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)
|
|
|
|
|
2012-11-12 19:44:39 +05:30
|
|
|
end subroutine AL_converged
|
2012-08-03 14:55:48 +05:30
|
|
|
|
2012-08-06 22:57:53 +05:30
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
!> @brief destroy routine
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
2012-11-12 19:44:39 +05:30
|
|
|
subroutine AL_destroy()
|
|
|
|
use DAMASK_spectral_Utilities, only: &
|
|
|
|
Utilities_destroy
|
2013-01-10 03:49:32 +05:30
|
|
|
|
2012-11-12 19:44:39 +05:30
|
|
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implicit none
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PetscErrorCode :: ierr
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2013-01-10 03:49:32 +05:30
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call VecDestroy(solution_vec,ierr); CHKERRQ(ierr)
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call SNESDestroy(snes,ierr); CHKERRQ(ierr)
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call DMDestroy(da,ierr); CHKERRQ(ierr)
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call PetscFinalize(ierr); CHKERRQ(ierr)
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2012-11-12 19:44:39 +05:30
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call Utilities_destroy()
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2012-07-26 19:28:47 +05:30
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2012-11-12 19:44:39 +05:30
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end subroutine AL_destroy
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2012-07-26 19:28:47 +05:30
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2012-11-12 19:44:39 +05:30
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end module DAMASK_spectral_SolverAL
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