638 lines
27 KiB
Fortran
638 lines
27 KiB
Fortran
! Copyright 2011-13 Max-Planck-Institut für Eisenforschung GmbH
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!
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! This file is part of DAMASK,
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! the Düsseldorf Advanced MAterial Simulation Kit.
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!
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! DAMASK is free software: you can redistribute it and/or modify
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! it under the terms of the GNU General Public License as published by
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! the Free Software Foundation, either version 3 of the License, or
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! (at your option) any later version.
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!
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! DAMASK is distributed in the hope that it will be useful,
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! but WITHOUT ANY WARRANTY; without even the implied warranty of
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! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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! GNU General Public License for more details.
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!
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! You should have received a copy of the GNU General Public License
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! along with DAMASK. If not, see <http://www.gnu.org/licenses/>.
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!
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!--------------------------------------------------------------------------------------------------
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! $Id$
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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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module DAMASK_spectral_solverAL
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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_SolverAL_label = 'al'
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!--------------------------------------------------------------------------------------------------
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! derived types
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type tSolutionParams !< @todo use here the type definition for a full loadcase including mask
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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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real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
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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 :: &
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F_lastInc, & !< field of previous compatible deformation gradients
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F_tau_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_tauDot !< field of assumed rate of incopatible deformation gradient
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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_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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real(pReal), private, dimension(3,3,3,3) :: &
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C = 0.0_pReal, C_minmaxAvg = 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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S_scale = 0.0_pReal
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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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integer(pInt), private :: reportIter = 0_pInt
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public :: &
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AL_init, &
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AL_solution, &
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AL_destroy
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external :: &
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VecDestroy, &
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DMDestroy, &
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DMDACreate3D, &
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DMCreateGlobalVector, &
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DMDASetLocalFunction, &
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PETScFinalize, &
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SNESDestroy, &
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SNESGetNumberFunctionEvals, &
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SNESGetIterationNumber, &
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SNESSolve, &
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SNESSetDM, &
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SNESGetConvergedReason, &
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SNESSetConvergenceTest, &
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SNESSetFromOptions, &
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SNESCreate, &
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MPI_Abort
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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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!> @todo use sourced allocation, e.g. allocate(Fdot,source = F_lastInc)
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!--------------------------------------------------------------------------------------------------
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subroutine AL_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_intOut, &
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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 debug, only : &
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debug_level, &
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debug_spectral, &
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debug_spectralRestart
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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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grid, &
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geomSize, &
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wgt
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use mesh, only: &
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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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real(pReal), dimension(:,:,:,:,:), allocatable :: P
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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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PetscErrorCode :: ierr
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PetscObject :: dummy
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PetscScalar, pointer, dimension(:,:,:,:) :: xx_psc, F, F_tau
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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)') ' $Id$'
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write(6,'(a16,a)') ' Current time : ',IO_timeStamp()
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#include "compilation_info.f90"
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allocate (P (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
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!--------------------------------------------------------------------------------------------------
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! allocate global fields
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allocate (F_lastInc (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
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allocate (Fdot (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
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allocate (F_tau_lastInc(3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
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allocate (F_tauDot (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
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!--------------------------------------------------------------------------------------------------
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! PETSc Init
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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,grid(1),grid(2),grid(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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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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call SNESSetConvergenceTest(snes,AL_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,xx_psc,ierr); CHKERRQ(ierr) ! places pointer xx_psc on PETSc data
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F => xx_psc(0:8,:,:,:)
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F_tau => 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,grid(1)),4,grid(2)),5,grid(3)) ! initialize to identity
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F_tau_lastInc = F_lastInc
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F = reshape(F_lastInc,[9,grid(1),grid(2),grid(3)])
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F_tau = F
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elseif (restartInc > 1_pInt) then
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if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0) &
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write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
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'reading values of increment', 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_tau',&
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trim(getSolverJobName()),size(F_tau))
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read (777,rec=1) F_tau
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close (777)
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call IO_read_jobBinaryFile(777,'F_tau_lastInc',&
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trim(getSolverJobName()),size(F_tau_lastInc))
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read (777,rec=1) F_tau_lastInc
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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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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) C_minmaxAvg
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close (777)
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endif
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mesh_ipCoordinates = reshape(mesh_deformedCoordsFFT(geomSize,reshape(&
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F,[3,3,grid(1),grid(2),grid(3)])),[3,1,product(grid)])
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call Utilities_constitutiveResponse(F,F,temperature,0.0_pReal,P,temp3333_Real,temp3333_Real2,&
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temp33_Real,.false.,math_I3)
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call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr)
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!--------------------------------------------------------------------------------------------------
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! reference stiffness
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if (restartInc == 1_pInt) then ! use initial stiffness as reference stiffness
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C_minmaxAvg = temp3333_Real2
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C = temp3333_Real
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endif
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call Utilities_updateGamma(temp3333_Real2,.True.)
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C_scale = temp3333_Real2
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S_scale = math_invSym3333(temp3333_Real2)
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end subroutine AL_init
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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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type(tSolutionState) function &
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AL_solution(incInfoIn,guess,timeinc,timeinc_old,loadCaseTime,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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math_invSym3333
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use mesh, only: &
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mesh_ipCoordinates, &
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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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grid, &
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geomSize, &
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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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#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) :: &
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timeinc, & !< increment in time for current solution
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timeinc_old, & !< increment in time of last increment
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loadCaseTime, & !< remaining time of current load case
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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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real(pReal), dimension(3,3), intent(in) :: rotation_BC
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!--------------------------------------------------------------------------------------------------
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! PETSc Data
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PetscScalar, dimension(:,:,:,:), pointer :: xx_psc, F, F_tau
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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,xx_psc,ierr)
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F => xx_psc(0:8,:,:,:)
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F_tau => xx_psc(9:17,:,:,:)
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!--------------------------------------------------------------------------------------------------
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! restart information for spectral solver
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if (restartWrite) then
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write(6,'(/,a)') ' writing converged results for restart'
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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_tau',size(F_tau)) ! writing deformation gradient field to file
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write (777,rec=1) F_tau
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close (777)
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call IO_write_jobBinaryFile(777,'F_tau_lastInc',size(F_tau_lastInc)) ! writing F_lastInc field to file
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write (777,rec=1) F_tau_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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AL_solution%converged =.false.
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if (cutBack) then
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F_aim = F_aim_lastInc
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F_tau= reshape(F_tau_lastInc,[9,grid(1),grid(2),grid(3)])
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F = reshape(F_lastInc, [9,grid(1),grid(2),grid(3)])
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C = C_lastInc
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else
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C_lastInc = C
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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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elseif(F_BC%myType=='f') then ! aim at end of load case is prescribed
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f_aimDot = F_BC%maskFloat * (F_BC%values -F_aim)/loadCaseTime
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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 coordinates and rate and forward last inc
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mesh_ipCoordinates = reshape(mesh_deformedCoordsFFT(geomSize,reshape(&
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F,[3,3,grid(1),grid(2),grid(3)])),[3,1,product(grid)])
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Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
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timeinc_old,guess,F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid(3)]))
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F_tauDot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
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timeinc_old,guess,F_tau_lastInc,reshape(F_tau,[3,3,grid(1),grid(2),grid(3)]))
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F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid(3)])
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F_tau_lastInc = reshape(F_tau,[3,3,grid(1),grid(2),grid(3)])
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endif
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F_aim = F_aim + f_aimDot * timeinc
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!--------------------------------------------------------------------------------------------------
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! update local deformation gradient
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F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! ensure that it matches rotated F_aim
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math_rotate_backward33(F_aim,rotation_BC)),[9,grid(1),grid(2),grid(3)])
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F_tau = reshape(Utilities_forwardField(timeinc,F_tau_lastInc,F_taudot), [9,grid(1),grid(2),grid(3)]) ! does not have any average value as boundary condition
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call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr)
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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) then
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call Utilities_updateGamma(C_minmaxAvg,restartWrite)
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C_scale = C_minmaxAvg
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S_scale = math_invSym3333(C_minmaxAvg)
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endif
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ForwardData = .True.
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mask_stress = P_BC%maskFloat
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params%P_BC = P_BC%values
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params%rotation_BC = rotation_BC
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params%timeinc = timeinc
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params%temperature = temperature_bc
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call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
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CHKERRQ(ierr)
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call SNESGetConvergedReason(snes,reason,ierr)
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CHKERRQ(ierr)
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AL_solution%termIll = terminallyIll
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terminallyIll = .false.
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if (reason < 1 ) then
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AL_solution%converged = .false.
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AL_solution%iterationsNeeded = itmax
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else
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AL_solution%converged = .true.
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AL_solution%iterationsNeeded = reportIter
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endif
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end function AL_solution
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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)
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use numerics, only: &
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itmax, &
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itmin, &
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polarAlpha, &
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polarBeta
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use IO, only: &
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IO_intOut
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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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math_invSym3333
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use DAMASK_spectral_Utilities, only: &
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grid, &
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wgt, &
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field_real, &
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Utilities_FFTforward, &
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Utilities_fourierConvolution, &
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Utilities_FFTbackward, &
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Utilities_constitutiveResponse
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use debug, only: &
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debug_level, &
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debug_spectral, &
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debug_spectralRotation
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use homogenization, only: &
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materialpoint_P, &
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materialpoint_dPdF
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implicit none
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!--------------------------------------------------------------------------------------------------
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! strange syntax in the next line because otherwise macros expand beyond 132 character limit
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DMDALocalInfo, dimension(&
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DMDA_LOCAL_INFO_SIZE) :: &
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in
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PetscScalar, target, dimension(3,3,2, &
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XG_RANGE,YG_RANGE,ZG_RANGE) :: &
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x_scal
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PetscScalar, target, dimension(3,3,2, &
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X_RANGE,Y_RANGE,Z_RANGE) :: &
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f_scal
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PetscScalar, pointer, dimension(:,:,:,:,:) :: &
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F, &
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F_tau, &
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residual_F, &
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residual_F_tau
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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) :: &
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i, j, k, n_ele
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F => x_scal(1:3,1:3,1,&
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XG_RANGE,YG_RANGE,ZG_RANGE)
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F_tau => x_scal(1:3,1:3,2,&
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XG_RANGE,YG_RANGE,ZG_RANGE)
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residual_F => f_scal(1:3,1:3,1,&
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X_RANGE,Y_RANGE,Z_RANGE)
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residual_F_tau => f_scal(1:3,1:3,2,&
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X_RANGE,Y_RANGE,Z_RANGE)
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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. nfuncs == 0) then ! new increment
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reportIter = -1_pInt
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endif
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if (reportIter <= iter) then ! new iteration
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reportIter = reportIter + 1_pInt
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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 (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
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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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endif
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!--------------------------------------------------------------------------------------------------
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!
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field_real = 0.0_pReal
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do k = 1_pInt, grid(3); do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
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field_real(i,j,k,1:3,1:3) = math_mul3333xx33(C_scale,(polarAlpha + polarBeta)*F(1:3,1:3,i,j,k) - &
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(polarAlpha)*F_tau(1:3,1:3,i,j,k))
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enddo; enddo; enddo
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!--------------------------------------------------------------------------------------------------
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! doing convolution in Fourier space
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call Utilities_FFTforward()
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call Utilities_fourierConvolution(math_rotate_backward33(polarBeta*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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residual_F_tau = polarBeta*F - reshape(field_real(1:grid(1),1:grid(2),1:grid(3),1:3,1:3),&
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[3,3,grid(1),grid(2),grid(3)],order=[3,4,5,1,2])
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!--------------------------------------------------------------------------------------------------
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! evaluate constitutive response
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call Utilities_constitutiveResponse(F_lastInc,F - residual_F_tau/polarBeta,params%temperature,params%timeinc, &
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residual_F,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 = 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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! constructing residual
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n_ele = 0_pInt
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err_p = 0.0_pReal
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do k = 1_pInt, grid(3); do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
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n_ele = n_ele + 1_pInt
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err_p = err_p + sum((math_mul3333xx33(S_scale,residual_F(1:3,1:3,i,j,k)) - &
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(F_tau(1:3,1:3,i,j,k) - &
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F(1:3,1:3,i,j,k) + residual_F_tau(1:3,1:3,i,j,k)/polarBeta))**2.0_pReal)
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residual_F(1:3,1:3,i,j,k) = math_mul3333xx33(math_invSym3333(materialpoint_dPdF(:,:,:,:,1,n_ele) + C_scale), &
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residual_F(1:3,1:3,i,j,k) - &
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math_mul3333xx33(C_scale,F_tau(1:3,1:3,i,j,k) - F(1:3,1:3,i,j,k))) &
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+ residual_F_tau(1:3,1:3,i,j,k)
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enddo; enddo; enddo
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!--------------------------------------------------------------------------------------------------
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! calculating errors
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err_f = wgt*sqrt(sum(residual_F_tau**2.0_pReal))/polarBeta
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err_p = wgt*sqrt(err_p)
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end subroutine AL_formResidual
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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)
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use numerics, only: &
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itmax, &
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itmin, &
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err_f_tol, &
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err_p_tol, &
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err_stress_tolrel, &
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err_stress_tolabs
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use FEsolving, only: &
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terminallyIll
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implicit none
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SNES :: snes_local
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PetscInt :: it
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PetscReal :: &
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xnorm, &
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snorm, &
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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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real(pReal) :: err_stress_tol
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err_stress_tol = max(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs)
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Converged = (it > itmin .and. &
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all([ err_f/err_f_tol, &
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err_p/err_p_tol, &
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err_stress/err_stress_tol] < 1.0_pReal)) &
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.or. terminallyIll
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if (Converged) then
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reason = 1
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elseif (it >= itmax) then
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reason = -1
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else
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reason = 0
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endif
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write(6,'(1/,a)') ' ... reporting ....................................................'
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write(6,'(/,a,f8.2,a,es11.5,a,es11.4,a)') ' mismatch F = ', &
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err_f/err_f_tol, &
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' (',err_f,' -, tol =',err_f_tol,')'
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write(6,'(a,f8.2,a,es11.5,a,es11.4,a)') ' mismatch P = ', &
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err_p/err_p_tol, &
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' (',err_p,' -, tol =',err_p_tol,')'
|
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write(6,'(a,f8.2,a,es11.5,a,es11.4,a)') ' error stress BC = ', &
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err_stress/err_stress_tol, ' (',err_stress, ' Pa, tol =',err_stress_tol,')'
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write(6,'(/,a)') ' =========================================================================='
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flush(6)
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end subroutine AL_converged
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|
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!--------------------------------------------------------------------------------------------------
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!> @brief destroy routine
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!--------------------------------------------------------------------------------------------------
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subroutine AL_destroy()
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use DAMASK_spectral_Utilities, only: &
|
|
Utilities_destroy
|
|
|
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implicit none
|
|
PetscErrorCode :: ierr
|
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|
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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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call Utilities_destroy()
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end subroutine AL_destroy
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end module DAMASK_spectral_SolverAL
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