!-------------------------------------------------------------------------------------------------- ! $Id: DAMASK_spectral_SolverAL.f90 1654 2012-08-03 09:25:48Z MPIE\m.diehl $ !-------------------------------------------------------------------------------------------------- !> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @brief Basic scheme PETSc solver !-------------------------------------------------------------------------------------------------- module DAMASK_spectral_SolverBasicPETSC use prec, only: & pInt, & pReal use math, only: & math_I3 use DAMASK_spectral_Utilities, only: & solutionState implicit none #include #include #include #include #include #include #include #include #include #include #include character (len=*), parameter, public :: & DAMASK_spectral_SolverBasicPETSC_label = 'basicpetsc' !-------------------------------------------------------------------------------------------------- ! derived types type solutionParams real(pReal), dimension(3,3) :: P_BC, rotation_BC real(pReal) :: timeinc end type solutionParams type(solutionParams), private :: params !-------------------------------------------------------------------------------------------------- ! PETSc data DM, private :: da SNES, private :: snes Vec, private :: solution_vec !-------------------------------------------------------------------------------------------------- ! common pointwise data real(pReal), private, dimension(:,:,:,:,:), allocatable :: F_lastInc real(pReal), private, dimension(:,:,:,:), allocatable :: coordinates real(pReal), private, dimension(:,:,:), allocatable :: temperature !-------------------------------------------------------------------------------------------------- ! stress, stiffness and compliance average etc. real(pReal), private, dimension(3,3) :: & F_aim = math_I3, & F_aim_lastInc = math_I3, & P_av real(pReal), private, dimension(3,3,3,3) :: & C = 0.0_pReal, & S = 0.0_pReal real(pReal), private :: err_stress, err_div logical, private :: ForwardData real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal contains !-------------------------------------------------------------------------------------------------- !> @brief allocates all neccessary fields and fills them with data, potentially from restart info !-------------------------------------------------------------------------------------------------- subroutine BasicPETSC_init() use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment) use IO, only: & IO_read_JobBinaryFile, & IO_write_JobBinaryFile use FEsolving, only: & restartInc use DAMASK_interface, only: & getSolverJobName use DAMASK_spectral_Utilities, only: & Utilities_init, & Utilities_constitutiveResponse, & Utilities_updateGamma, & debugrestart use numerics, only: & petsc_options use mesh, only: & res, & geomdim, & mesh_NcpElems use math, only: & math_invSym3333 implicit none integer(pInt) :: i,j,k real(pReal), dimension(:,:,:,:,:), allocatable :: P PetscErrorCode :: ierr_psc PetscObject :: dummy PetscMPIInt :: rank PetscScalar, pointer :: xx_psc(:,:,:,:), F(:,:,:,:) call Utilities_init() write(6,'(a)') '' write(6,'(a)') ' <<<+- DAMASK_spectral_solverBasicPETSC init -+>>>' write(6,'(a)') ' $Id: DAMASK_spectral_SolverBasicPETSC.f90 1654 2012-08-03 09:25:48Z MPIE\m.diehl $' #include "compilation_info.f90" write(6,'(a)') '' allocate (F_lastInc (3,3, res(1), res(2),res(3)), source = 0.0_pReal) allocate (P (3,3, res(1), res(2),res(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) !-------------------------------------------------------------------------------------------------- ! 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, & 9,1,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,da,ierr_psc) call DMCreateGlobalVector(da,solution_vec,ierr_psc) call DMDASetLocalFunction(da,BasicPETSC_formResidual,ierr_psc) call SNESSetDM(snes,da,ierr_psc) call SNESSetConvergenceTest(snes,BasicPETSC_converged,dummy,PETSC_NULL_FUNCTION,ierr_psc) call PetscOptionsInsertString(petsc_options,ierr_psc) call SNESSetFromOptions(snes,ierr_psc) !-------------------------------------------------------------------------------------------------- ! init fields call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr_psc) F => xx_psc(0:8,:,:,:) if (restartInc == 1_pInt) then ! no deformation (no restart) F_lastInc = spread(spread(spread(math_I3,3,res(1)),4,res(2)),5,res(3)) ! initialize to identity F = reshape(F_lastInc,[9,res(1),res(2),res(3)]) do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1) 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_lastInc)) 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,'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 Utilities_constitutiveResponse(coordinates,F,F,temperature,0.0_pReal,P,C,P_av,.false.,math_I3) call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr_psc) !-------------------------------------------------------------------------------------------------- ! 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) end subroutine BasicPETSC_init !-------------------------------------------------------------------------------------------------- !> @brief solution for the Basic PETSC scheme with internal iterations !-------------------------------------------------------------------------------------------------- type(solutionState) function BasicPETSC_solution(guessmode,timeinc,timeinc_old,P_BC,F_BC,temperature_bc,rotation_BC) use numerics, only: & update_gamma use math, only: & math_mul33x33 ,& math_rotate_backward33 use mesh, only: & res,& geomdim,& deformed_fft use IO, only: & IO_write_JobBinaryFile use DAMASK_spectral_Utilities, only: & boundaryCondition, & Utilities_forwardField, & Utilities_maskedCompliance, & Utilities_updateGamma use FEsolving, only: & restartWrite implicit none !-------------------------------------------------------------------------------------------------- ! input data for solution real(pReal), intent(in) :: timeinc, timeinc_old, temperature_bc, guessmode type(boundaryCondition), intent(in) :: P_BC,F_BC real(pReal), dimension(3,3), intent(in) :: rotation_BC real(pReal), dimension(3,3) :: deltaF_aim, & F_aim_lab !-------------------------------------------------------------------------------------------------- ! loop variables, convergence etc. real(pReal), dimension(3,3) :: temp33_Real !-------------------------------------------------------------------------------------------------- ! PetscScalar, pointer :: xx_psc(:,:,:,:), F(:,:,:,:) PetscErrorCode ierr_psc SNESConvergedReason reason !-------------------------------------------------------------------------------------------------- ! restart information for spectral solver if (restartWrite) then write(6,'(a)') 'writing converged results for restart' call IO_write_jobBinaryFile(777,'convergedSpectralDefgrad',size(F_lastInc)) write (777,rec=1) F_LastInc close (777) call IO_write_jobBinaryFile(777,'C',size(C)) write (777,rec=1) C close(777) endif BasicPETSC_solution%converged =.false. !-------------------------------------------------------------------------------------------------- ! winding forward of deformation aim in loadcase system if (F_BC%myType=='l') then ! calculate deltaF_aim from given L and current F deltaF_aim = timeinc * F_BC%maskFloat * math_mul33x33(F_BC%values, F_aim) elseif(F_BC%myType=='fdot') then ! deltaF_aim = fDot *timeinc where applicable deltaF_aim = timeinc * F_BC%maskFloat * F_BC%values endif temp33_Real = F_aim F_aim = F_aim & + guessmode * P_BC%maskFloat * (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) call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr_psc) F => xx_psc(0:8,:,:,:) call Utilities_forwardField(deltaF_aim,timeinc,timeinc_old,guessmode,F_lastInc,F) call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr_psc) call deformed_fft(res,geomdim,math_rotate_backward33(F_aim,rotation_BC),1.0_pReal,F_lastInc,coordinates) !-------------------------------------------------------------------------------------------------- ! update stiffness (and gamma operator) S = Utilities_maskedCompliance(rotation_BC,P_BC%maskLogical,C) if (update_gamma) call Utilities_updateGamma(C) ForwardData = .True. mask_stress = P_BC%maskFloat params%P_BC = P_BC%values params%rotation_BC = rotation_BC params%timeinc = timeinc call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr_psc) call SNESGetConvergedReason(snes,reason,ierr_psc) if (reason > 0 ) BasicPETSC_solution%converged = .true. end function BasicPETSC_solution !-------------------------------------------------------------------------------------------------- !> @brief forms the AL residual vector !-------------------------------------------------------------------------------------------------- subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr_psc) use numerics, only: & itmax, & itmin use math, only: & math_rotate_backward33, & math_transpose33, & math_mul3333xx33 use mesh, only: & res, & wgt use DAMASK_spectral_Utilities, only: & field_real, & Utilities_forwardFFT, & Utilities_fourierConvolution, & Utilities_backwardFFT, & Utilities_constitutiveResponse, & Utilities_divergenceRMS implicit none real(pReal), dimension(3,3) :: F_aim_lab_lastIter, F_aim_lab DMDALocalInfo :: in(DMDA_LOCAL_INFO_SIZE) PetscScalar, target :: x_scal(3,3,XG_RANGE,YG_RANGE,ZG_RANGE) PetscScalar, target :: f_scal(3,3,X_RANGE,Y_RANGE,Z_RANGE) PetscScalar, pointer :: F(:,:,:,:,:) PetscScalar, pointer :: residual_F(:,:,:,:,:) PetscInt :: iter, nfuncs PetscObject :: dummy PetscErrorCode :: ierr_psc F => x_scal(:,:,:,:,:) residual_F => f_scal(:,:,:,:,:) call SNESGetNumberFunctionEvals(snes,nfuncs,ierr_psc) call SNESGetIterationNumber(snes,iter,ierr_psc) !-------------------------------------------------------------------------------------------------- ! report begin of new iteration write(6,'(a)') '' write(6,'(a)') '==================================================================' write(6,'(4(a,i6.6))') ' @ Iter. ',itmin,' < ',iter,' < ',itmax, ' | # Func. calls = ',nfuncs 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,params%rotation_BC) !-------------------------------------------------------------------------------------------------- ! evaluate constitutive response call Utilities_constitutiveResponse(coordinates,F_lastInc,F,temperature,params%timeinc, & residual_F,C,P_av,ForwardData,params%rotation_BC) ForwardData = .False. !-------------------------------------------------------------------------------------------------- ! stress BC handling F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%P_BC))) ! S = 0.0 for no bc err_stress = maxval(abs(mask_stress * (P_av - params%P_BC))) ! mask = 0.0 for no bc F_aim_lab = math_rotate_backward33(F_aim,params%rotation_BC) !-------------------------------------------------------------------------------------------------- ! updated deformation gradient using fix point algorithm of basic scheme field_real = 0.0_pReal field_real(1:res(1),1:res(2),1:res(3),1:3,1:3) = reshape(residual_F,[res(1),res(2),res(3),3,3],& order=[4,5,1,2,3]) ! field real has a different order call Utilities_forwardFFT() err_div = Utilities_divergenceRMS() call Utilities_fourierConvolution(F_aim_lab_lastIter - F_aim_lab) call Utilities_backwardFFT() !-------------------------------------------------------------------------------------------------- ! constructing residual residual_F = reshape(field_real(1:res(1),1:res(2),1:res(3),1:3,1:3),shape(F),order=[3,4,5,1,2]) end subroutine BasicPETSC_formResidual !-------------------------------------------------------------------------------------------------- !> @brief convergence check !-------------------------------------------------------------------------------------------------- subroutine BasicPETSC_converged(snes_local,it,xnorm,snorm,fnorm,reason,dummy,ierr_psc) use numerics, only: & itmax, & itmin, & err_div_tol, & err_stress_tolrel, & err_stress_tolabs use math, only: & math_mul33x33, & math_eigenvalues33, & math_transpose33 implicit none SNES snes_local PetscInt it PetscReal xnorm, snorm, fnorm SNESConvergedReason reason PetscObject dummy PetscErrorCode ierr_psc logical :: Converged real(pReal) :: pAvgDivL2 pAvgDivL2 = sqrt(maxval(math_eigenvalues33(math_mul33x33(P_av,math_transpose33(P_av))))) Converged = (it > itmin .and. & all([ err_div/pAvgDivL2/err_div_tol, & err_stress/min(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs)] < 1.0_pReal)) if (Converged) then reason = 1 elseif (it > itmax) then reason = -1 else reason = 0 endif write(6,'(a,f6.2,a,es11.4,a)') 'error divergence = ', err_div/pAvgDivL2/err_div_tol,& ' (',err_div/pAvgDivL2,' N/m³)' write(6,'(a,f6.2,a,es11.4,a)') 'error stress = ', err_stress/min(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs), & ' (',err_stress,' Pa)' return end subroutine BasicPETSC_converged !-------------------------------------------------------------------------------------------------- !> @brief destroy routine !-------------------------------------------------------------------------------------------------- subroutine BasicPETSC_destroy() use DAMASK_spectral_Utilities, only: & Utilities_destroy implicit none PetscErrorCode ierr_psc call VecDestroy(solution_vec,ierr_psc) call SNESDestroy(snes,ierr_psc) call DMDestroy(da,ierr_psc) call PetscFinalize(ierr_psc) call Utilities_destroy() end subroutine BasicPETSC_destroy end module DAMASK_spectral_SolverBasicPETSC