2012-07-24 22:37:10 +05:30
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module DAMASK_spectral_SolverAL
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2012-07-25 19:31:39 +05:30
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2012-07-24 22:37:10 +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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2012-07-25 19:31:39 +05:30
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use DAMASK_spectral_Utilities
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use math
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use mesh, only : &
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mesh_spectral_getResolution, &
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mesh_spectral_getDimension
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implicit none
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2012-07-26 19:28:47 +05:30
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#include <finclude/petsc.h>
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#include <finclude/petscvec.h90>
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2012-07-25 19:31:39 +05:30
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character (len=*), parameter, public :: &
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DAMASK_spectral_SolverAL_label = 'AL'
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2012-07-26 19:28:47 +05:30
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!--------------------------------------------------------------------------------------------------
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! PETSc data
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SNES snes
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KSP ksp
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DM da
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Vec x,r
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PetscErrorCode ierr_psc
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PetscMPIInt rank
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PetscObject dummy
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PetscInt xs,xm,gxs,gxm
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PetscInt ys,ym,gys,gym
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PetscInt zs,zm,gzs,gzm
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character(len=1024) :: PetSc_options = '-snes_type ngmres -snes_ngmres_anderson -snes_monitor -snes_view'
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external FormFunctionLocal, SNESConverged_Interactive
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2012-07-25 19:31:39 +05:30
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!--------------------------------------------------------------------------------------------------
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! common pointwise data
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real(pReal), dimension(:,:,:,:,:), allocatable :: F, F_lastInc, F_lambda, F_lambda_lastInc, P
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real(pReal), dimension(:,:,:,:), allocatable :: coordinates
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real(pReal), dimension(:,:,:), allocatable :: temperature
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!--------------------------------------------------------------------------------------------------
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! stress, stiffness and compliance average etc.
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real(pReal), dimension(3,3) :: &
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F_aim = math_I3, &
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F_aim_lastInc = math_I3, &
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P_av
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2012-07-26 19:28:47 +05:30
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2012-07-25 19:31:39 +05:30
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real(pReal), dimension(3,3,3,3) :: &
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C_ref = 0.0_pReal, &
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C = 0.0_pReal
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2012-07-26 19:28:47 +05:30
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integer(pInt) :: iter
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real(pReal) :: err_div, err_stress
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2012-07-25 19:31:39 +05:30
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contains
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subroutine AL_init()
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use IO, only: &
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IO_read_JobBinaryFile, &
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IO_write_JobBinaryFile
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use FEsolving, only: &
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restartInc
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use DAMASK_interface, only: &
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getSolverJobName
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implicit none
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2012-07-26 19:28:47 +05:30
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integer(pInt) :: i,j,k
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2012-07-26 19:28:47 +05:30
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call Utilities_init()
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allocate (F ( res(1), res(2),res(3),3,3), source = 0.0_pReal)
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allocate (F_lastInc ( res(1), res(2),res(3),3,3), source = 0.0_pReal)
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2012-07-26 19:28:47 +05:30
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allocate (F_lambda ( res(1), res(2),res(3),3,3), source = 0.0_pReal)
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allocate (F_lambda_lastInc(res(1),res(2),res(3),3,3), source = 0.0_pReal)
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2012-07-25 19:31:39 +05:30
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allocate (P ( res(1), res(2),res(3),3,3), source = 0.0_pReal)
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allocate (coordinates( res(1), res(2),res(3),3), source = 0.0_pReal)
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allocate (temperature( res(1), res(2),res(3)), source = 0.0_pReal)
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!--------------------------------------------------------------------------------------------------
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! init fields
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if (restartInc == 1_pInt) then ! no deformation (no restart)
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do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
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F(i,j,k,1:3,1:3) = math_I3
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F_lastInc(i,j,k,1:3,1:3) = math_I3
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2012-07-26 19:28:47 +05:30
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F_lambda(i,j,k,1:3,1:3) = math_I3
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F_lambda_lastInc(i,j,k,1:3,1:3) = math_I3
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2012-07-25 19:31:39 +05:30
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coordinates(i,j,k,1:3) = geomdim/real(res,pReal)*real([i,j,k],pReal) &
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- geomdim/real(2_pInt*res,pReal)
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enddo; enddo; enddo
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elseif (restartInc > 1_pInt) then ! using old values from file
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if (debugRestart) write(6,'(a,i6,a)') 'Reading values of increment ',&
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restartInc - 1_pInt,' from file'
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call IO_read_jobBinaryFile(777,'convergedSpectralDefgrad',&
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trim(getSolverJobName()),size(F))
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read (777,rec=1) F
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close (777)
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call IO_read_jobBinaryFile(777,'convergedSpectralDefgrad_lastInc',&
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trim(getSolverJobName()),size(F_lastInc))
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read (777,rec=1) F_lastInc
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close (777)
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2012-07-26 19:28:47 +05:30
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call IO_read_jobBinaryFile(777,'convergedSpectralDefgradLambda',&
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trim(getSolverJobName()),size(F_lambda))
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read (777,rec=1) F
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close (777)
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call IO_read_jobBinaryFile(777,'convergedSpectralDefgradLambda_lastInc',&
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trim(getSolverJobName()),size(F_lambda_lastInc))
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read (777,rec=1) F_lastInc
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close (777)
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2012-07-25 19:31:39 +05:30
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call IO_read_jobBinaryFile(777,'F_aim',trim(getSolverJobName()),size(F_aim))
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read (777,rec=1) F_aim
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close (777)
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call IO_read_jobBinaryFile(777,'F_aim_lastInc',trim(getSolverJobName()),size(F_aim_lastInc))
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read (777,rec=1) F_aim_lastInc
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close (777)
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coordinates = 0.0 ! change it later!!!
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endif
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call constitutiveResponse(coordinates,F,F_lastInc,temperature,0.0_pReal,&
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P,C,P_av,.false.,math_I3)
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!--------------------------------------------------------------------------------------------------
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! reference stiffness
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if (restartInc == 1_pInt) then
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2012-07-26 19:28:47 +05:30
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call IO_write_jobBinaryFile(777,'C_ref',size(C))
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write (777,rec=1) C
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2012-07-25 19:31:39 +05:30
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close(777)
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elseif (restartInc > 1_pInt) then
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2012-07-26 19:28:47 +05:30
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call IO_read_jobBinaryFile(777,'C_ref',trim(getSolverJobName()),size(C))
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read (777,rec=1) C
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2012-07-25 19:31:39 +05:30
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close (777)
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endif
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2012-07-26 19:28:47 +05:30
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call Utilities_updateGamma(C_ref)
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!--------------------------------------------------------------------------------------------------
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! PETSc Init
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call PetscInitialize(PETSC_NULL_CHARACTER,ierr_psc)
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call MPI_Comm_rank(PETSC_COMM_WORLD,rank,ierr_psc)
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call SNESCreate(PETSC_COMM_WORLD,snes,ierr_psc)
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call DMDACreate3d(PETSC_COMM_WORLD, &
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DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, &
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DMDA_STENCIL_BOX,res(1),res(2),res(3),PETSC_DECIDE,PETSC_DECIDE,PETSC_DECIDE, &
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18,1,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,da,ierr_psc)
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call DMCreateGlobalVector(da,x,ierr_psc)
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call VecDuplicate(x,r,ierr_psc)
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call DMDASetLocalFunction(da,FormFunctionLocal,ierr_psc)
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call SNESSetDM(snes,da,ierr_psc)
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call SNESSetFunction(snes,r,SNESDMDAComputeFunction,da,ierr_psc)
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call SNESSetConvergenceTest(snes,SNESConverged_Interactive,dummy,PETSC_NULL_FUNCTION,ierr_psc)
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call PetscOptionsInsertString(PetSc_options,ierr_psc)
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call SNESSetFromOptions(snes,ierr_psc)
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call DMDAGetCorners(da,xs,ys,zs,xm,ym,zm,ierr_psc)
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call DMDAGetCorners(da,gxs,gys,gzs,gxm,gym,gzm,ierr_psc)
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xs = xs+1; gxs = gxs+1; xm = xm-1; gxm = gxm-1
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ys = ys+1; gys = gys+1; ym = ym-1; gym = gym-1
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zs = zs+1; gzs = gzs+1; zm = zm-1; gzm = gzm-1
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2012-07-25 19:31:39 +05:30
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end subroutine AL_init
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type(solutionState) function AL_solution(guessmode,timeinc,timeinc_old,P_BC,F_BC,mask_stressVector,velgrad,rotation_BC)
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use numerics, only: &
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2012-07-26 19:28:47 +05:30
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itmax, &
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itmin, &
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update_gamma
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2012-07-25 19:31:39 +05:30
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use IO, only: &
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IO_write_JobBinaryFile
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use FEsolving, only: &
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restartWrite
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implicit none
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!--------------------------------------------------------------------------------------------------
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! input data for solution
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real(pReal), intent(in) :: timeinc, timeinc_old
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real(pReal), intent(in) :: guessmode
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logical, intent(in) :: velgrad
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real(pReal), dimension(3,3), intent(in) :: P_BC,F_BC,rotation_BC
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logical, dimension(9), intent(in) :: mask_stressVector
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!--------------------------------------------------------------------------------------------------
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! loop variables, convergence etc.
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real(pReal), dimension(3,3), parameter :: ones = 1.0_pReal, zeroes = 0.0_pReal
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real(pReal), dimension(3,3) :: temp33_Real
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real(pReal), dimension(3,3,3,3) :: S
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real(pReal), dimension(3,3) :: mask_stress, &
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mask_defgrad, &
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deltaF_aim, &
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F_aim_lab, &
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F_aim_lab_lastIter
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integer(pInt) :: i, j, k
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logical :: ForwardData
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real(pReal) :: defgradDet
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real(pReal) :: defgradDetMax, defgradDetMin
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2012-07-26 19:28:47 +05:30
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PetscScalar, pointer :: xx_psc(:)
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mask_stress = merge(ones,zeroes,reshape(mask_stressVector,[3,3]))
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mask_defgrad = merge(zeroes,ones,reshape(mask_stressVector,[3,3]))
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if (restartWrite) then
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write(6,'(a)') 'writing converged results for restart'
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call IO_write_jobBinaryFile(777,'convergedSpectralDefgrad',size(F_lastInc)) ! writing deformation gradient 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,'C',size(C))
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write (777,rec=1) C
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close(777)
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endif
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ForwardData = .True.
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if (velgrad) then ! calculate deltaF_aim from given L and current F
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deltaF_aim = timeinc * mask_defgrad * math_mul33x33(F_BC, F_aim)
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else ! deltaF_aim = fDot *timeinc where applicable
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deltaF_aim = timeinc * mask_defgrad * F_BC
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endif
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!--------------------------------------------------------------------------------------------------
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! winding forward of deformation aim in loadcase system
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temp33_Real = F_aim
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F_aim = F_aim &
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+ guessmode * mask_stress * (F_aim - F_aim_lastInc)*timeinc/timeinc_old &
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+ deltaF_aim
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F_aim_lastInc = temp33_Real
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F_aim_lab = math_rotate_backward33(F_aim,rotation_BC) ! boundary conditions from load frame into lab (Fourier) frame
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!--------------------------------------------------------------------------------------------------
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! update local deformation gradient and coordinates
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deltaF_aim = math_rotate_backward33(deltaF_aim,rotation_BC)
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do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
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temp33_Real = F(i,j,k,1:3,1:3)
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F(i,j,k,1:3,1:3) = F(i,j,k,1:3,1:3) & ! decide if guessing along former trajectory or apply homogeneous addon
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2012-07-26 19:28:47 +05:30
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+ guessmode * (F(i,j,k,1:3,1:3) - F_lastInc(i,j,k,1:3,1:3))* &
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timeinc/timeinc_old + (1.0_pReal-guessmode) * deltaF_aim ! if not guessing, use prescribed average deformation where applicable
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2012-07-25 19:31:39 +05:30
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F_lastInc(i,j,k,1:3,1:3) = temp33_Real
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2012-07-26 19:28:47 +05:30
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temp33_Real = F_lambda(i,j,k,1:3,1:3)
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F_lambda(i,j,k,1:3,1:3) = F_lambda(i,j,k,1:3,1:3) & ! decide if guessing along former trajectory or apply homogeneous addon
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+ guessmode * (F_lambda(i,j,k,1:3,1:3) - F_lambda_lastInc(i,j,k,1:3,1:3))* &
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timeinc/timeinc_old + (1.0_pReal-guessmode) * deltaF_aim ! if not guessing, use prescribed average deformation where applicable
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F_lambda_lastInc(i,j,k,1:3,1:3) = temp33_Real
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2012-07-25 19:31:39 +05:30
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enddo; enddo; enddo
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call deformed_fft(res,geomdim,math_rotate_backward33(F_aim,rotation_BC),& ! calculate current coordinates
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1.0_pReal,F_lastInc,coordinates)
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iter = 0_pInt
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2012-07-26 19:28:47 +05:30
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S = Utilities_stressBC(rotation_BC,mask_stressVector,C)
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if (update_gamma) call Utilities_updateGamma(C)
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2012-07-25 19:31:39 +05:30
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2012-07-26 19:28:47 +05:30
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call VecGetArrayF90(x,xx_psc,ierr_psc)
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call FormInitialGuessLocal(xx_psc)
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call VecRestoreArrayF90(x,xx_psc,ierr_psc)
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call SNESSolve(snes,PETSC_NULL_OBJECT,x,ierr_psc)
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|
|
2012-07-25 19:31:39 +05:30
|
|
|
convergenceLoop: do while((iter < itmax .and. (any([err_div ,err_stress] > 1.0_pReal)))&
|
|
|
|
|
.or. iter < itmin)
|
|
|
|
|
|
|
|
|
|
iter = iter + 1_pInt
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
|
! report begin of new iteration
|
|
|
|
|
write(6,'(a)') ''
|
|
|
|
|
write(6,'(a)') '=================================================================='
|
|
|
|
|
write(6,'(3(a,i6.6))') ' @ Iter. ',itmin,' < ',iter,' < ',itmax
|
|
|
|
|
write(6,'(a,/,3(3(f12.7,1x)/))',advance='no') 'deformation gradient aim =',&
|
|
|
|
|
math_transpose33(F_aim)
|
|
|
|
|
F_aim_lab_lastIter = math_rotate_backward33(F_aim,rotation_BC)
|
|
|
|
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
|
! evaluate constitutive response
|
|
|
|
|
call constitutiveResponse(coordinates,F,F_lastInc,temperature,timeinc,&
|
|
|
|
|
P,C,P_av,ForwardData,rotation_BC)
|
|
|
|
|
ForwardData = .False.
|
|
|
|
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
|
! stress BC handling
|
|
|
|
|
if(any(mask_stressVector)) then ! calculate stress BC if applied
|
2012-07-26 19:28:47 +05:30
|
|
|
F_aim = F_aim - math_mul3333xx33(S, ((P_av - P_BC)))
|
|
|
|
|
err_stress = mask_stress * (P_av - P_BC)))
|
2012-07-25 19:31:39 +05:30
|
|
|
else
|
|
|
|
|
err_stress = 0.0_pReal
|
|
|
|
|
endif
|
|
|
|
|
|
2012-07-26 19:28:47 +05:30
|
|
|
F_aim_lab = math_rotate_backward33(F_aim,rotation_BC) ! boundary conditions from load frame into lab (Fourier) frame
|
2012-07-25 19:31:39 +05:30
|
|
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
|
! updated deformation gradient
|
|
|
|
|
field_real(1:res(1),1:res(2),1:res(3),1:3,1:3) = P
|
2012-07-26 19:28:47 +05:30
|
|
|
call FFT_forward()
|
|
|
|
|
err_div = calcDivergence()
|
|
|
|
|
call convolution_fourier(F_aim_lab_lastIter - F_aim_lab, C_ref)
|
|
|
|
|
call FFT_backward()
|
2012-07-25 19:31:39 +05:30
|
|
|
|
|
|
|
|
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
|
|
|
|
|
F(i,j,k,1:3,1:3) = F(i,j,k,1:3,1:3) - field_real(i,j,k,1:3,1:3) ! F(x)^(n+1) = F(x)^(n) + correction; *wgt: correcting for missing normalization
|
|
|
|
|
enddo; enddo; enddo
|
2012-07-26 19:28:47 +05:30
|
|
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
|
! calculate some additional output
|
|
|
|
|
if(debugGeneral) then
|
|
|
|
|
maxCorrectionSkew = 0.0_pReal
|
|
|
|
|
maxCorrectionSym = 0.0_pReal
|
|
|
|
|
temp33_Real = 0.0_pReal
|
|
|
|
|
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
|
|
|
|
|
maxCorrectionSym = max(maxCorrectionSym,&
|
|
|
|
|
maxval(math_symmetric33(field_real(i,j,k,1:3,1:3))))
|
|
|
|
|
maxCorrectionSkew = max(maxCorrectionSkew,&
|
|
|
|
|
maxval(math_skew33(field_real(i,j,k,1:3,1:3))))
|
|
|
|
|
temp33_Real = temp33_Real + field_real(i,j,k,1:3,1:3)
|
|
|
|
|
enddo; enddo; enddo
|
|
|
|
|
write(6,'(a,1x,es11.4)') 'max symmetric correction of deformation =',&
|
|
|
|
|
maxCorrectionSym*wgt
|
|
|
|
|
write(6,'(a,1x,es11.4)') 'max skew correction of deformation =',&
|
|
|
|
|
maxCorrectionSkew*wgt
|
|
|
|
|
write(6,'(a,1x,es11.4)') 'max sym/skew of avg correction = ',&
|
|
|
|
|
maxval(math_symmetric33(temp33_real))/&
|
|
|
|
|
maxval(math_skew33(temp33_real))
|
|
|
|
|
endif
|
2012-07-25 19:31:39 +05:30
|
|
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
|
! calculate bounds of det(F) and report
|
|
|
|
|
if(debugGeneral) then
|
|
|
|
|
defgradDetMax = -huge(1.0_pReal)
|
|
|
|
|
defgradDetMin = +huge(1.0_pReal)
|
|
|
|
|
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
|
|
|
|
|
defgradDet = math_det33(F(i,j,k,1:3,1:3))
|
|
|
|
|
defgradDetMax = max(defgradDetMax,defgradDet)
|
|
|
|
|
defgradDetMin = min(defgradDetMin,defgradDet)
|
|
|
|
|
enddo; enddo; enddo
|
|
|
|
|
|
|
|
|
|
write(6,'(a,1x,es11.4)') 'max determinant of deformation =', defgradDetMax
|
|
|
|
|
write(6,'(a,1x,es11.4)') 'min determinant of deformation =', defgradDetMin
|
|
|
|
|
endif
|
|
|
|
|
enddo convergenceLoop
|
|
|
|
|
|
|
|
|
|
end function AL_solution
|
|
|
|
|
|
|
|
|
|
subroutine AL_destroy()
|
|
|
|
|
|
|
|
|
|
implicit none
|
|
|
|
|
|
2012-07-26 19:28:47 +05:30
|
|
|
call VecDestroy(x,ierr_psc)
|
|
|
|
|
call VecDestroy(r,ierr_psc)
|
|
|
|
|
call SNESDestroy(snes,ierr_psc)
|
|
|
|
|
call DMDestroy(da,ierr_psc)
|
|
|
|
|
call PetscFinalize(ierr_psc)
|
2012-07-25 19:31:39 +05:30
|
|
|
call Utilities_destroy()
|
2012-07-24 22:37:10 +05:30
|
|
|
|
2012-07-25 19:31:39 +05:30
|
|
|
end subroutine AL_destroy
|
2012-07-24 22:37:10 +05:30
|
|
|
|
2012-07-26 19:28:47 +05:30
|
|
|
! -------------------------------------------------------------------
|
|
|
|
|
|
|
|
|
|
subroutine FormInitialGuessLocal(xx_psc)
|
|
|
|
|
|
|
|
|
|
implicit none
|
|
|
|
|
#include <finclude/petsc.h>
|
|
|
|
|
|
|
|
|
|
! Input/output variables:
|
|
|
|
|
|
|
|
|
|
PetscScalar xx_psc(0:17,gxs:(gxs+gxm),gys:(gys+gym),gxs:(gzs+gzm))
|
|
|
|
|
integer(pInt) :: i, j, k
|
|
|
|
|
|
|
|
|
|
! Compute function over the locally owned part of the grid
|
|
|
|
|
|
|
|
|
|
do k=gzs,gzs+gzm; do j=gys,gys+gym; do i=gxs,gxs+gxm
|
|
|
|
|
xx_psc(0,i,j,k) = F(i,j,k,1,1)
|
|
|
|
|
xx_psc(1,i,j,k) = F(i,j,k,1,2)
|
|
|
|
|
xx_psc(2,i,j,k) = F(i,j,k,1,3)
|
|
|
|
|
xx_psc(3,i,j,k) = F(i,j,k,2,1)
|
|
|
|
|
xx_psc(4,i,j,k) = F(i,j,k,2,2)
|
|
|
|
|
xx_psc(5,i,j,k) = F(i,j,k,2,3)
|
|
|
|
|
xx_psc(6,i,j,k) = F(i,j,k,3,1)
|
|
|
|
|
xx_psc(7,i,j,k) = F(i,j,k,3,2)
|
|
|
|
|
xx_psc(8,i,j,k) = F(i,j,k,3,3)
|
|
|
|
|
xx_psc(9,i,j,k) = F_lambda(i,j,k,1,1)
|
|
|
|
|
xx_psc(10,i,j,k) = F_lambda(i,j,k,1,2)
|
|
|
|
|
xx_psc(11,i,j,k) = F_lambda(i,j,k,1,3)
|
|
|
|
|
xx_psc(12,i,j,k) = F_lambda(i,j,k,2,1)
|
|
|
|
|
xx_psc(13,i,j,k) = F_lambda(i,j,k,2,2)
|
|
|
|
|
xx_psc(14,i,j,k) = F_lambda(i,j,k,2,3)
|
|
|
|
|
xx_psc(15,i,j,k) = F_lambda(i,j,k,3,1)
|
|
|
|
|
xx_psc(16,i,j,k) = F_lambda(i,j,k,3,2)
|
|
|
|
|
xx_psc(17,i,j,k) = F_lambda(i,j,k,3,3)
|
|
|
|
|
enddo; enddo; enddo
|
|
|
|
|
|
|
|
|
|
return
|
|
|
|
|
end subroutine FormInitialGuessLocal
|
|
|
|
|
|
|
|
|
|
! ---------------------------------------------------------------------
|
|
|
|
|
!
|
|
|
|
|
! Input Parameter:
|
|
|
|
|
! x - local vector data
|
|
|
|
|
!
|
|
|
|
|
! Output Parameters:
|
|
|
|
|
! f - local vector data, f(x)
|
|
|
|
|
! ierr - error code
|
|
|
|
|
!
|
|
|
|
|
! Notes:
|
|
|
|
|
! This routine uses standard Fortran-style computations over a 3-dim array.
|
|
|
|
|
!
|
|
|
|
|
subroutine FormFunctionLocal(in,x_scal,f_scal,dummy,ierr_psc)
|
|
|
|
|
|
|
|
|
|
use numerics, only: &
|
|
|
|
|
itmax, &
|
|
|
|
|
itmin
|
|
|
|
|
|
|
|
|
|
implicit none
|
|
|
|
|
#include <finclude/petsc.h>
|
|
|
|
|
|
|
|
|
|
! Input/output variables:
|
|
|
|
|
DMDALocalInfo in(DMDA_LOCAL_INFO_SIZE)
|
|
|
|
|
PetscScalar x_scal(0:17,XG_RANGE,YG_RANGE,ZG_RANGE)
|
|
|
|
|
PetscScalar f_scal(0:17,X_RANGE,Y_RANGE,Z_RANGE)
|
|
|
|
|
real(pReal), dimension (3,3) :: temp
|
|
|
|
|
PetscObject dummy
|
|
|
|
|
|
|
|
|
|
! Compute function over the locally owned part of the grid
|
|
|
|
|
|
|
|
|
|
iter = iter + 1_pInt
|
|
|
|
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
|
! report begin of new iteration
|
|
|
|
|
write(6,'(a)') ''
|
|
|
|
|
write(6,'(a)') '=================================================================='
|
|
|
|
|
write(6,'(3(a,i6.6))') ' @ Iter. ',itmin,' < ',iter,' < ',itmax
|
|
|
|
|
write(6,'(a,/,3(3(f12.7,1x)/))',advance='no') 'deformation gradient aim =',&
|
|
|
|
|
math_transpose33(F_aim)
|
|
|
|
|
|
|
|
|
|
F_star_av = 0.0
|
|
|
|
|
lambda_av = 0.0
|
|
|
|
|
do k=gzs,gze; do j=gys,gye; do i=gxs,gxe
|
|
|
|
|
F(i,j,k,1,1) = x_scal(0,i,j,k)
|
|
|
|
|
F(i,j,k,1,2) = x_scal(1,i,j,k)
|
|
|
|
|
F(i,j,k,1,3) = x_scal(2,i,j,k)
|
|
|
|
|
F(i,j,k,2,1) = x_scal(3,i,j,k)
|
|
|
|
|
F(i,j,k,2,2) = x_scal(4,i,j,k)
|
|
|
|
|
F(i,j,k,2,3) = x_scal(5,i,j,k)
|
|
|
|
|
F(i,j,k,3,1) = x_scal(6,i,j,k)
|
|
|
|
|
F(i,j,k,3,2) = x_scal(7,i,j,k)
|
|
|
|
|
F(i,j,k,3,3) = x_scal(8,i,j,k)
|
|
|
|
|
F_lambda(i,j,k,1,1) = x_scal(9,i,j,k)
|
|
|
|
|
F_lambda(i,j,k,1,2) = x_scal(10,i,j,k)
|
|
|
|
|
F_lambda(i,j,k,1,3) = x_scal(11,i,j,k)
|
|
|
|
|
F_lambda(i,j,k,2,1) = x_scal(12,i,j,k)
|
|
|
|
|
F_lambda(i,j,k,2,2) = x_scal(13,i,j,k)
|
|
|
|
|
F_lambda(i,j,k,2,3) = x_scal(14,i,j,k)
|
|
|
|
|
F_lambda(i,j,k,3,1) = x_scal(15,i,j,k)
|
|
|
|
|
F_lambda(i,j,k,3,2) = x_scal(16,i,j,k)
|
|
|
|
|
F_lambda(i,j,k,3,3) = x_scal(17,i,j,k)
|
|
|
|
|
F_star_av = F_star_av + F(i,j,k,1:3,1:3)
|
|
|
|
|
lambda_av = lambda_av + F_lambda(i,j,k,1:3,1:3)
|
|
|
|
|
enddo; enddo; enddo
|
|
|
|
|
F_star_av = F_star_av *wgt
|
|
|
|
|
lambda_av = math_mul3333xx33(C_inc0,lambda_av*wgt-math_I3)
|
|
|
|
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
|
! evaluate constitutive response
|
|
|
|
|
call constitutiveResponse(coordinates,F,F_lastInc,temperature,timeinc,&
|
|
|
|
|
P,C,P_av,ForwardData,rotation_BC)
|
|
|
|
|
ForwardData = .False.
|
|
|
|
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
|
! stress BC handling
|
|
|
|
|
if(any(mask_stressVector)) then ! calculate stress BC if applied
|
|
|
|
|
F_aim = F_aim - math_mul3333xx33(S, ((P_av - P_BC)))
|
|
|
|
|
err_stress = mask_stress * (P_av - P_BC)))
|
|
|
|
|
else
|
|
|
|
|
err_stress = 0.0_pReal
|
|
|
|
|
endif
|
|
|
|
|
|
|
|
|
|
F_aim_lab = math_rotate_backward33(F_aim,rotation_BC)
|
|
|
|
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
|
! doing Fourier transform
|
|
|
|
|
field_real = 0.0_pReal
|
|
|
|
|
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
|
|
|
|
|
field_real(i,j,k,1:3,1:3) = math_mul3333xx33(C_ref,F_lambda(i,j,k,1:3,1:3)-F(i,j,k,1:3,1:3))
|
|
|
|
|
|
|
|
|
|
enddo; enddo; enddo
|
|
|
|
|
|
|
|
|
|
call Utilities_forwardFFT()
|
|
|
|
|
call Utilities_fourierConvolution(F_aim_lab)
|
|
|
|
|
call Utilities_backwardFFT()
|
|
|
|
|
|
|
|
|
|
err_f = 0.0_pReal
|
|
|
|
|
err_f_point = 0.0_pReal
|
|
|
|
|
err_p = 0.0_pReal
|
|
|
|
|
err_p_point = 0.0_pReal
|
|
|
|
|
|
|
|
|
|
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
|
|
|
|
|
temp33_real = field_real(i,j,k,1:3,1:3) - F(i,j,k,1:3,1:3)
|
|
|
|
|
err_f_point = max(err_f_point, maxval(abs(temp33_real)))
|
|
|
|
|
err_f = err_f + sum(temp33_real*temp33_real)
|
|
|
|
|
|
|
|
|
|
temp33_real = F_lambda(i,j,k,1:3,1:3) - &
|
|
|
|
|
math_mul3333xx33(S_inc0,P(i,j,k,1:3,1:3)) + math_I3
|
|
|
|
|
err_p_point = max(err_p_point, maxval(abs(temp33_real)))
|
|
|
|
|
err_p = err_p + sum(temp33_real*temp33_real)
|
|
|
|
|
enddo; enddo; enddo
|
|
|
|
|
|
|
|
|
|
err_f = wgt*sqrt(err_f/sum((F_aim-math_I3)*(F_aim-math_I3)))
|
|
|
|
|
err_p = wgt*sqrt(err_p/sum((F_aim-math_I3)*(F_aim-math_I3)))
|
|
|
|
|
|
|
|
|
|
write(6,'(a,es14.7,es14.7)') 'error stress = ',err_stress/err_stress_tol
|
|
|
|
|
write(6,*) ' '
|
|
|
|
|
write(6,'(a,es14.7)') 'max abs err F', err_f
|
|
|
|
|
write(6,'(a,es14.7)') 'max abs err P', err_p
|
|
|
|
|
|
|
|
|
|
do k=zs,ze; do j=ys,ye; do i=xs,xe
|
|
|
|
|
temp = math_mul3333xx33(S_inc0,P(i,j,k,1:3,1:3)) + math_I3 - F_lambda(i,j,k,1:3,1:3) &
|
|
|
|
|
+ F(i,j,k,1:3,1:3) - field_real(i,j,k,1:3,1:3)
|
|
|
|
|
f_scal(0,i,j,k) = temp(1,1)
|
|
|
|
|
f_scal(1,i,j,k) = temp(1,2)
|
|
|
|
|
f_scal(2,i,j,k) = temp(1,3)
|
|
|
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f_scal(3,i,j,k) = temp(2,1)
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f_scal(4,i,j,k) = temp(2,2)
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f_scal(5,i,j,k) = temp(2,3)
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f_scal(6,i,j,k) = temp(3,1)
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f_scal(7,i,j,k) = temp(3,2)
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f_scal(8,i,j,k) = temp(3,3)
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f_scal(9,i,j,k) = F(i,j,k,1,1) - field_real(i,j,k,1,1)
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f_scal(10,i,j,k) = F(i,j,k,1,2) - field_real(i,j,k,1,2)
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f_scal(11,i,j,k) = F(i,j,k,1,3) - field_real(i,j,k,1,3)
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f_scal(12,i,j,k) = F(i,j,k,2,1) - field_real(i,j,k,2,1)
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f_scal(13,i,j,k) = F(i,j,k,2,2) - field_real(i,j,k,2,2)
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f_scal(14,i,j,k) = F(i,j,k,2,3) - field_real(i,j,k,2,3)
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f_scal(15,i,j,k) = F(i,j,k,3,1) - field_real(i,j,k,3,1)
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f_scal(16,i,j,k) = F(i,j,k,3,2) - field_real(i,j,k,3,2)
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f_scal(17,i,j,k) = F(i,j,k,3,3) - field_real(i,j,k,3,3)
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enddo; enddo; enddo
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return
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end subroutine FormFunctionLocal
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! ---------------------------------------------------------------------
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! User defined convergence check
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!
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subroutine SNESConverged_Interactive(snes,it,xnorm,snorm,fnorm,reason,dummy,ierr_psc)
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implicit none
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#include <finclude/petsc.h>
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! Input/output variables:
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SNES snes
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PetscInt it
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PetscReal xnorm, snorm, fnorm
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SNESConvergedReason reason
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PetscObject dummy
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PetscErrorCode ierr_psc
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err_crit = max(err_stress/err_stress_tol, &
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err_f/1e-6, err_p/1e-5)
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!fnorm*wgt/sqrt(sum((F_star_av-math_I3)*(F_star_av-math_I3)))/err_div_tol)
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if ((err_crit > 1.0_pReal .or. it < itmin) .and. it < itmax) then
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reason = 0
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else
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reason = 1
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endif
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return
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end subroutine SNESConverged_Interactive
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2012-07-25 19:31:39 +05:30
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end module DAMASK_spectral_SolverAL
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