! module DAMASK_spectral_SolverAL ! use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment) ! use DAMASK_spectral_Utilities ! use math ! use mesh, only : & ! mesh_spectral_getResolution, & ! mesh_spectral_getDimension ! implicit none ! #include ! #include ! character (len=*), parameter, public :: & ! DAMASK_spectral_SolverAL_label = 'AL' ! !-------------------------------------------------------------------------------------------------- ! ! PETSc data ! SNES snes ! KSP ksp ! DM da ! Vec x,r ! PetscErrorCode ierr_psc ! PetscMPIInt rank ! PetscObject dummy ! PetscInt xs,xm,gxs,gxm ! PetscInt ys,ym,gys,gym ! PetscInt zs,zm,gzs,gzm ! character(len=1024) :: PetSc_options = '-snes_type ngmres -snes_ngmres_anderson -snes_monitor -snes_view' ! !external FormFunctionLocal, SNESConverged_Interactive ! !-------------------------------------------------------------------------------------------------- ! ! common pointwise data ! real(pReal), dimension(:,:,:,:,:), allocatable :: F, F_lastInc, F_lambda, F_lambda_lastInc, P ! real(pReal), dimension(:,:,:,:), allocatable :: coordinates ! real(pReal), dimension(:,:,:), allocatable :: temperature ! !-------------------------------------------------------------------------------------------------- ! ! stress, stiffness and compliance average etc. ! real(pReal), dimension(3,3) :: & ! F_aim = math_I3, & ! F_aim_lastInc = math_I3, & ! P_av ! real(pReal), dimension(3,3,3,3) :: & ! !C_ref = 0.0_pReal, & ! C = 0.0_pReal ! integer(pInt) :: iter ! real(pReal) :: err_div, err_stress ! contains ! subroutine AL_init() ! use IO, only: & ! IO_read_JobBinaryFile, & ! IO_write_JobBinaryFile ! use FEsolving, only: & ! restartInc ! use DAMASK_interface, only: & ! getSolverJobName ! implicit none ! integer(pInt) :: i,j,k ! call Utilities_init() ! allocate (F ( res(1), res(2),res(3),3,3), source = 0.0_pReal) ! allocate (F_lastInc ( res(1), res(2),res(3),3,3), source = 0.0_pReal) ! allocate (F_lambda ( res(1), res(2),res(3),3,3), source = 0.0_pReal) ! allocate (F_lambda_lastInc(res(1),res(2),res(3),3,3), source = 0.0_pReal) ! allocate (P ( res(1), res(2),res(3),3,3), source = 0.0_pReal) ! allocate (coordinates( res(1), res(2),res(3),3), source = 0.0_pReal) ! allocate (temperature( res(1), res(2),res(3)), source = 0.0_pReal) ! !-------------------------------------------------------------------------------------------------- ! ! init fields ! if (restartInc == 1_pInt) then ! no deformation (no restart) ! 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) = math_I3 ! F_lastInc(i,j,k,1:3,1:3) = math_I3 ! F_lambda(i,j,k,1:3,1:3) = math_I3 ! F_lambda_lastInc(i,j,k,1:3,1:3) = math_I3 ! coordinates(i,j,k,1:3) = geomdim/real(res,pReal)*real([i,j,k],pReal) & ! - geomdim/real(2_pInt*res,pReal) ! enddo; enddo; enddo ! elseif (restartInc > 1_pInt) then ! using old values from file ! if (debugRestart) write(6,'(a,i6,a)') 'Reading values of increment ',& ! restartInc - 1_pInt,' from file' ! call IO_read_jobBinaryFile(777,'convergedSpectralDefgrad',& ! trim(getSolverJobName()),size(F)) ! read (777,rec=1) F ! close (777) ! call IO_read_jobBinaryFile(777,'convergedSpectralDefgrad_lastInc',& ! trim(getSolverJobName()),size(F_lastInc)) ! read (777,rec=1) F_lastInc ! close (777) ! call IO_read_jobBinaryFile(777,'convergedSpectralDefgradLambda',& ! trim(getSolverJobName()),size(F_lambda)) ! read (777,rec=1) F ! close (777) ! call IO_read_jobBinaryFile(777,'convergedSpectralDefgradLambda_lastInc',& ! trim(getSolverJobName()),size(F_lambda_lastInc)) ! read (777,rec=1) F_lastInc ! close (777) ! call IO_read_jobBinaryFile(777,'F_aim',trim(getSolverJobName()),size(F_aim)) ! read (777,rec=1) F_aim ! close (777) ! call IO_read_jobBinaryFile(777,'F_aim_lastInc',trim(getSolverJobName()),size(F_aim_lastInc)) ! read (777,rec=1) F_aim_lastInc ! close (777) ! coordinates = 0.0 ! change it later!!! ! endif ! call constitutiveResponse(coordinates,F,F_lastInc,temperature,0.0_pReal,& ! P,C,P_av,.false.,math_I3) ! !-------------------------------------------------------------------------------------------------- ! ! reference stiffness ! if (restartInc == 1_pInt) then ! call IO_write_jobBinaryFile(777,'C_ref',size(C)) ! write (777,rec=1) C ! close(777) ! elseif (restartInc > 1_pInt) then ! call IO_read_jobBinaryFile(777,'C_ref',trim(getSolverJobName()),size(C)) ! read (777,rec=1) C ! close (777) ! endif ! call Utilities_updateGamma(C_ref) ! !-------------------------------------------------------------------------------------------------- ! ! PETSc Init ! call PetscInitialize(PETSC_NULL_CHARACTER,ierr_psc) ! call MPI_Comm_rank(PETSC_COMM_WORLD,rank,ierr_psc) ! call SNESCreate(PETSC_COMM_WORLD,snes,ierr_psc) ! call DMDACreate3d(PETSC_COMM_WORLD, & ! DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, & ! DMDA_STENCIL_BOX,res(1),res(2),res(3),PETSC_DECIDE,PETSC_DECIDE,PETSC_DECIDE, & ! 18,1,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,da,ierr_psc) ! call DMCreateGlobalVector(da,x,ierr_psc) ! call VecDuplicate(x,r,ierr_psc) ! call DMDASetLocalFunction(da,FormFunctionLocal,ierr_psc) ! call SNESSetDM(snes,da,ierr_psc) ! call SNESSetFunction(snes,r,SNESDMDAComputeFunction,da,ierr_psc) ! call SNESSetConvergenceTest(snes,SNESConverged_Interactive,dummy,PETSC_NULL_FUNCTION,ierr_psc) ! call PetscOptionsInsertString(PetSc_options,ierr_psc) ! call SNESSetFromOptions(snes,ierr_psc) ! call DMDAGetCorners(da,xs,ys,zs,xm,ym,zm,ierr_psc) ! call DMDAGetCorners(da,gxs,gys,gzs,gxm,gym,gzm,ierr_psc) ! xs = xs+1; gxs = gxs+1; xm = xm-1; gxm = gxm-1 ! ys = ys+1; gys = gys+1; ym = ym-1; gym = gym-1 ! zs = zs+1; gzs = gzs+1; zm = zm-1; gzm = gzm-1 ! end subroutine AL_init ! type(solutionState) function AL_solution(guessmode,timeinc,timeinc_old,P_BC,F_BC,mask_stressVector,velgrad,rotation_BC) ! use numerics, only: & ! itmax, & ! itmin, & ! update_gamma ! use IO, only: & ! IO_write_JobBinaryFile ! use FEsolving, only: & ! restartWrite ! implicit none ! !-------------------------------------------------------------------------------------------------- ! ! input data for solution ! real(pReal), intent(in) :: timeinc, timeinc_old ! real(pReal), intent(in) :: guessmode ! logical, intent(in) :: velgrad ! real(pReal), dimension(3,3), intent(in) :: P_BC,F_BC,rotation_BC ! logical, dimension(9), intent(in) :: mask_stressVector ! !-------------------------------------------------------------------------------------------------- ! ! loop variables, convergence etc. ! real(pReal), dimension(3,3), parameter :: ones = 1.0_pReal, zeroes = 0.0_pReal ! real(pReal), dimension(3,3) :: temp33_Real ! real(pReal), dimension(3,3,3,3) :: S ! real(pReal), dimension(3,3) :: mask_stress, & ! mask_defgrad, & ! deltaF_aim, & ! F_aim_lab, & ! F_aim_lab_lastIter ! integer(pInt) :: i, j, k ! logical :: ForwardData ! real(pReal) :: defgradDet ! real(pReal) :: defgradDetMax, defgradDetMin ! PetscScalar, pointer :: xx_psc(:) ! mask_stress = merge(ones,zeroes,reshape(mask_stressVector,[3,3])) ! mask_defgrad = merge(zeroes,ones,reshape(mask_stressVector,[3,3])) ! if (restartWrite) then ! write(6,'(a)') 'writing converged results for restart' ! call IO_write_jobBinaryFile(777,'convergedSpectralDefgrad',size(F_lastInc)) ! writing deformation gradient field to file ! write (777,rec=1) F_LastInc ! close (777) ! call IO_write_jobBinaryFile(777,'C',size(C)) ! write (777,rec=1) C ! close(777) ! endif ! ForwardData = .True. ! if (velgrad) then ! calculate deltaF_aim from given L and current F ! deltaF_aim = timeinc * mask_defgrad * math_mul33x33(F_BC, F_aim) ! else ! deltaF_aim = fDot *timeinc where applicable ! deltaF_aim = timeinc * mask_defgrad * F_BC ! endif ! !-------------------------------------------------------------------------------------------------- ! ! winding forward of deformation aim in loadcase system ! temp33_Real = F_aim ! F_aim = F_aim & ! + guessmode * mask_stress * (F_aim - F_aim_lastInc)*timeinc/timeinc_old & ! + deltaF_aim ! F_aim_lastInc = temp33_Real ! F_aim_lab = math_rotate_backward33(F_aim,rotation_BC) ! boundary conditions from load frame into lab (Fourier) frame ! !-------------------------------------------------------------------------------------------------- ! ! update local deformation gradient and coordinates ! deltaF_aim = math_rotate_backward33(deltaF_aim,rotation_BC) ! do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1) ! temp33_Real = F(i,j,k,1:3,1:3) ! 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 ! + guessmode * (F(i,j,k,1:3,1:3) - F_lastInc(i,j,k,1:3,1:3))* & ! timeinc/timeinc_old + (1.0_pReal-guessmode) * deltaF_aim ! if not guessing, use prescribed average deformation where applicable ! F_lastInc(i,j,k,1:3,1:3) = temp33_Real ! temp33_Real = F_lambda(i,j,k,1:3,1:3) ! 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 ! + guessmode * (F_lambda(i,j,k,1:3,1:3) - F_lambda_lastInc(i,j,k,1:3,1:3))* & ! timeinc/timeinc_old + (1.0_pReal-guessmode) * deltaF_aim ! if not guessing, use prescribed average deformation where applicable ! F_lambda_lastInc(i,j,k,1:3,1:3) = temp33_Real ! enddo; enddo; enddo ! call deformed_fft(res,geomdim,math_rotate_backward33(F_aim,rotation_BC),& ! calculate current coordinates ! 1.0_pReal,F_lastInc,coordinates) ! iter = 0_pInt ! S = Utilities_stressBC(rotation_BC,mask_stressVector,C) ! if (update_gamma) call Utilities_updateGamma(C) ! call VecGetArrayF90(x,xx_psc,ierr_psc) ! call FormInitialGuessLocal(xx_psc) ! call VecRestoreArrayF90(x,xx_psc,ierr_psc) ! call SNESSolve(snes,PETSC_NULL_OBJECT,x,ierr_psc) ! 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 ! 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) ! boundary conditions from load frame into lab (Fourier) frame ! !-------------------------------------------------------------------------------------------------- ! ! updated deformation gradient ! field_real(1:res(1),1:res(2),1:res(3),1:3,1:3) = P ! call FFT_forward() ! err_div = calcDivergence() ! call convolution_fourier(F_aim_lab_lastIter - F_aim_lab, C_ref) ! call FFT_backward() ! 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 ! !-------------------------------------------------------------------------------------------------- ! ! 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 ! !-------------------------------------------------------------------------------------------------- ! ! 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 ! call VecDestroy(x,ierr_psc) ! call VecDestroy(r,ierr_psc) ! call SNESDestroy(snes,ierr_psc) ! call DMDestroy(da,ierr_psc) ! call PetscFinalize(ierr_psc) ! call Utilities_destroy() ! end subroutine AL_destroy ! ! ------------------------------------------------------------------- ! subroutine FormInitialGuessLocal(xx_psc) ! implicit none ! #include ! ! 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 ! integer(pInt) :: i,j,k ! ! 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, lambda_av, F_star_av ! PetscObject dummy ! PetscInt gzs,gze ! PetscInt gxs,gxe ! PetscInt gys,gye ! PetscErrorCode ierr_psc ! gxs = in(DMDA_LOCAL_INFO_GXS)+1 ! gxe = gxs+in(DMDA_LOCAL_INFO_GXM)-1 ! gys = in(DMDA_LOCAL_INFO_GYS)+1 ! gye = gxs+in(DMDA_LOCAL_INFO_GYM)-1 ! gzs = in(DMDA_LOCAL_INFO_GZS)+1 ! gze = gzs+in(DMDA_LOCAL_INFO_GZM)-1 ! 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 ! real(pReal), intent(in) :: timeinc, timeinc_old ! real(pReal), intent(in) :: guessmode ! logical, intent(in) :: velgrad ! real(pReal), dimension(3,3), intent(in) :: P_BC,F_BC,rotation_BC ! logical, dimension(9), intent(in) :: mask_stressVector ! 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 = maxval(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) ! f_scal(3,i,j,k) = temp(2,1) ! f_scal(4,i,j,k) = temp(2,2) ! f_scal(5,i,j,k) = temp(2,3) ! f_scal(6,i,j,k) = temp(3,1) ! f_scal(7,i,j,k) = temp(3,2) ! f_scal(8,i,j,k) = temp(3,3) ! f_scal(9,i,j,k) = F(i,j,k,1,1) - field_real(i,j,k,1,1) ! f_scal(10,i,j,k) = F(i,j,k,1,2) - field_real(i,j,k,1,2) ! f_scal(11,i,j,k) = F(i,j,k,1,3) - field_real(i,j,k,1,3) ! f_scal(12,i,j,k) = F(i,j,k,2,1) - field_real(i,j,k,2,1) ! f_scal(13,i,j,k) = F(i,j,k,2,2) - field_real(i,j,k,2,2) ! f_scal(14,i,j,k) = F(i,j,k,2,3) - field_real(i,j,k,2,3) ! f_scal(15,i,j,k) = F(i,j,k,3,1) - field_real(i,j,k,3,1) ! f_scal(16,i,j,k) = F(i,j,k,3,2) - field_real(i,j,k,3,2) ! f_scal(17,i,j,k) = F(i,j,k,3,3) - field_real(i,j,k,3,3) ! enddo; enddo; enddo ! return ! end subroutine FormFunctionLocal ! ! --------------------------------------------------------------------- ! ! User defined convergence check ! ! ! subroutine SNESConverged_Interactive(snes,it,xnorm,snorm,fnorm,reason,dummy,ierr_psc) ! implicit none ! #include ! ! Input/output variables: ! SNES snes ! PetscInt it ! PetscReal xnorm, snorm, fnorm ! SNESConvergedReason reason ! PetscObject dummy ! PetscErrorCode ierr_psc ! err_crit = max(err_stress/err_stress_tol, & ! err_f/1e-6, err_p/1e-5) ! !fnorm*wgt/sqrt(sum((F_star_av-math_I3)*(F_star_av-math_I3)))/err_div_tol) ! if ((err_crit > 1.0_pReal .or. it < itmin) .and. it < itmax) then ! reason = 0 ! else ! reason = 1 ! endif ! return ! end subroutine SNESConverged_Interactive ! end module DAMASK_spectral_SolverAL