!-------------------------------------------------------------------------------------------------- !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH !> @author Shaokang Zhang, Max-Planck-Institut für Eisenforschung GmbH !> @brief Spectral solver for nonlocal damage !-------------------------------------------------------------------------------------------------- module grid_damage_spectral #include #include use PETScDMDA use PETScSNES #if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>14) && !defined(PETSC_HAVE_MPI_F90MODULE_VISIBILITY) use MPI_f08 #endif use prec use parallelization use IO use spectral_utilities use discretization_grid use homogenization use YAML_types use config #if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>14) && !defined(PETSC_HAVE_MPI_F90MODULE_VISIBILITY) implicit none(type,external) #else implicit none #endif private type :: tNumerics integer :: & itmax !< maximum number of iterations real(pReal) :: & residualStiffness, & !< non-zero residual damage eps_damage_atol, & !< absolute tolerance for damage evolution eps_damage_rtol !< relative tolerance for damage evolution end type tNumerics type(tNumerics) :: num type(tSolutionParams) :: params !-------------------------------------------------------------------------------------------------- ! PETSc data SNES :: SNES_damage Vec :: solution_vec real(pReal), dimension(:,:,:), allocatable :: & phi_current, & !< field of current damage phi_lastInc, & !< field of previous damage phi_stagInc !< field of staggered damage !-------------------------------------------------------------------------------------------------- ! reference diffusion tensor, mobility etc. integer :: totalIter = 0 !< total iteration in current increment real(pReal), dimension(3,3) :: K_ref real(pReal) :: mu_ref public :: & grid_damage_spectral_init, & grid_damage_spectral_solution, & grid_damage_spectral_forward contains !-------------------------------------------------------------------------------------------------- !> @brief allocates all neccessary fields and fills them with data ! ToDo: Restart not implemented !-------------------------------------------------------------------------------------------------- subroutine grid_damage_spectral_init() PetscInt, dimension(0:worldsize-1) :: localK integer :: i, j, k, ce DM :: damage_grid PetscScalar, dimension(:,:,:), pointer :: phi_PETSc Vec :: uBound, lBound integer(MPI_INTEGER_KIND) :: err_MPI PetscErrorCode :: err_PETSc type(tDict), pointer :: & num_grid, & num_generic character(len=pStringLen) :: & snes_type print'(/,1x,a)', '<<<+- grid_spectral_damage init -+>>>' print'(/,1x,a)', 'P. Shanthraj et al., Handbook of Mechanics of Materials, 2019' print'( 1x,a)', 'https://doi.org/10.1007/978-981-10-6855-3_80' !------------------------------------------------------------------------------------------------- ! read numerical parameters and do sanity checks num_grid => config_numerics%get_dict('grid',defaultVal=emptyDict) num%itmax = num_grid%get_asInt ('itmax',defaultVal=250) num%eps_damage_atol = num_grid%get_asFloat ('eps_damage_atol',defaultVal=1.0e-2_pReal) num%eps_damage_rtol = num_grid%get_asFloat ('eps_damage_rtol',defaultVal=1.0e-6_pReal) num_generic => config_numerics%get_dict('generic',defaultVal=emptyDict) num%residualStiffness = num_generic%get_asFloat('residualStiffness', defaultVal=1.0e-6_pReal) if (num%residualStiffness < 0.0_pReal) call IO_error(301,ext_msg='residualStiffness') if (num%itmax <= 1) call IO_error(301,ext_msg='itmax') if (num%eps_damage_atol <= 0.0_pReal) call IO_error(301,ext_msg='eps_damage_atol') if (num%eps_damage_rtol <= 0.0_pReal) call IO_error(301,ext_msg='eps_damage_rtol') !-------------------------------------------------------------------------------------------------- ! set default and user defined options for PETSc call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-damage_snes_type newtonls -damage_snes_mf & &-damage_snes_ksp_ew -damage_ksp_type fgmres',err_PETSc) CHKERRQ(err_PETSc) call PetscOptionsInsertString(PETSC_NULL_OPTIONS,num_grid%get_asString('petsc_options',defaultVal=''),err_PETSc) CHKERRQ(err_PETSc) !-------------------------------------------------------------------------------------------------- ! init fields phi_current = discretization_grid_getInitialCondition('phi') phi_lastInc = phi_current phi_stagInc = phi_current !-------------------------------------------------------------------------------------------------- ! initialize solver specific parts of PETSc call SNESCreate(PETSC_COMM_WORLD,SNES_damage,err_PETSc) CHKERRQ(err_PETSc) call SNESSetOptionsPrefix(SNES_damage,'damage_',err_PETSc) CHKERRQ(err_PETSc) localK = 0_pPetscInt localK(worldrank) = int(cells3,pPetscInt) call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,MPI_COMM_WORLD,err_MPI) if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error' call DMDACreate3D(PETSC_COMM_WORLD, & DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point int(cells(1),pPetscInt),int(cells(2),pPetscInt),int(cells(3),pPetscInt), & ! global cells 1_pPetscInt, 1_pPetscInt, int(worldsize,pPetscInt), & 1_pPetscInt, 0_pPetscInt, & ! #dof (phi, scalar), ghost boundary width (domain overlap) [int(cells(1),pPetscInt)],[int(cells(2),pPetscInt)],localK, & ! local cells damage_grid,err_PETSc) ! handle, error CHKERRQ(err_PETSc) call DMsetFromOptions(damage_grid,err_PETSc) CHKERRQ(err_PETSc) call DMsetUp(damage_grid,err_PETSc) CHKERRQ(err_PETSc) call DMCreateGlobalVector(damage_grid,solution_vec,err_PETSc) ! global solution vector (cells x 1, i.e. every def grad tensor) CHKERRQ(err_PETSc) call DMDASNESSetFunctionLocal(damage_grid,INSERT_VALUES,formResidual,PETSC_NULL_SNES,err_PETSc) ! residual vector of same shape as solution vector CHKERRQ(err_PETSc) call SNESSetDM(SNES_damage,damage_grid,err_PETSc) CHKERRQ(err_PETSc) call SNESSetFromOptions(SNES_damage,err_PETSc) ! pull it all together with additional CLI arguments CHKERRQ(err_PETSc) call SNESGetType(SNES_damage,snes_type,err_PETSc) CHKERRQ(err_PETSc) if (trim(snes_type) == 'vinewtonrsls' .or. & trim(snes_type) == 'vinewtonssls') then call DMGetGlobalVector(damage_grid,lBound,err_PETSc) CHKERRQ(err_PETSc) call DMGetGlobalVector(damage_grid,uBound,err_PETSc) CHKERRQ(err_PETSc) call VecSet(lBound,0.0_pReal,err_PETSc) CHKERRQ(err_PETSc) call VecSet(uBound,1.0_pReal,err_PETSc) CHKERRQ(err_PETSc) call SNESVISetVariableBounds(SNES_damage,lBound,uBound,err_PETSc) ! variable bounds for variational inequalities CHKERRQ(err_PETSc) call DMRestoreGlobalVector(damage_grid,lBound,err_PETSc) CHKERRQ(err_PETSc) call DMRestoreGlobalVector(damage_grid,uBound,err_PETSc) CHKERRQ(err_PETSc) end if ce = 0 do k = 1, cells3; do j = 1, cells(2); do i = 1, cells(1) ce = ce + 1 call homogenization_set_phi(phi_current(i,j,k),ce) end do; end do; end do call DMDAVecGetArrayF90(damage_grid,solution_vec,phi_PETSc,err_PETSc) CHKERRQ(err_PETSc) phi_PETSc = phi_current call DMDAVecRestoreArrayF90(damage_grid,solution_vec,phi_PETSc,err_PETSc) CHKERRQ(err_PETSc) call updateReference() end subroutine grid_damage_spectral_init !-------------------------------------------------------------------------------------------------- !> @brief solution for the spectral damage scheme with internal iterations !-------------------------------------------------------------------------------------------------- function grid_damage_spectral_solution(Delta_t) result(solution) real(pReal), intent(in) :: & Delta_t !< increment in time for current solution integer :: i, j, k, ce type(tSolutionState) :: solution PetscInt :: devNull PetscReal :: phi_min, phi_max, stagNorm integer(MPI_INTEGER_KIND) :: err_MPI PetscErrorCode :: err_PETSc SNESConvergedReason :: reason solution%converged =.false. !-------------------------------------------------------------------------------------------------- ! set module wide availabe data params%Delta_t = Delta_t call SNESSolve(SNES_damage,PETSC_NULL_VEC,solution_vec,err_PETSc) CHKERRQ(err_PETSc) call SNESGetConvergedReason(SNES_damage,reason,err_PETSc) CHKERRQ(err_PETSc) if (reason < 1) then solution%converged = .false. solution%iterationsNeeded = num%itmax else solution%converged = .true. solution%iterationsNeeded = totalIter end if stagNorm = maxval(abs(phi_current - phi_stagInc)) call MPI_Allreduce(MPI_IN_PLACE,stagNorm,1_MPI_INTEGER_KIND,MPI_DOUBLE,MPI_MAX,MPI_COMM_WORLD,err_MPI) if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error' solution%stagConverged = stagNorm < max(num%eps_damage_atol, num%eps_damage_rtol*maxval(phi_current)) call MPI_Allreduce(MPI_IN_PLACE,solution%stagConverged,1_MPI_INTEGER_KIND,MPI_LOGICAL,MPI_LAND,MPI_COMM_WORLD,err_MPI) if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error' phi_stagInc = phi_current !-------------------------------------------------------------------------------------------------- ! updating damage state ce = 0 do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1) ce = ce + 1 call homogenization_set_phi(phi_current(i,j,k),ce) end do; end do; end do call VecMin(solution_vec,devNull,phi_min,err_PETSc) CHKERRQ(err_PETSc) call VecMax(solution_vec,devNull,phi_max,err_PETSc) CHKERRQ(err_PETSc) if (solution%converged) & print'(/,1x,a)', '... nonlocal damage converged .....................................' print'(/,1x,a,f8.6,2x,f8.6,2x,e11.4)', 'Minimum|Maximum|Delta Damage = ', phi_min, phi_max, stagNorm print'(/,1x,a)', '===========================================================================' flush(IO_STDOUT) end function grid_damage_spectral_solution !-------------------------------------------------------------------------------------------------- !> @brief spectral damage forwarding routine !-------------------------------------------------------------------------------------------------- subroutine grid_damage_spectral_forward(cutBack) logical, intent(in) :: cutBack integer :: i, j, k, ce DM :: dm_local PetscScalar, dimension(:,:,:), pointer :: phi_PETSc PetscErrorCode :: err_PETSc if (cutBack) then phi_current = phi_lastInc phi_stagInc = phi_lastInc !-------------------------------------------------------------------------------------------------- ! reverting damage field state call SNESGetDM(SNES_damage,dm_local,err_PETSc) CHKERRQ(err_PETSc) call DMDAVecGetArrayF90(dm_local,solution_vec,phi_PETSc,err_PETSc) !< get the data out of PETSc to work with CHKERRQ(err_PETSc) phi_PETSc = phi_current call DMDAVecRestoreArrayF90(dm_local,solution_vec,phi_PETSc,err_PETSc) CHKERRQ(err_PETSc) ce = 0 do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1) ce = ce + 1 call homogenization_set_phi(phi_current(i,j,k),ce) end do; end do; end do else phi_lastInc = phi_current call updateReference end if end subroutine grid_damage_spectral_forward !-------------------------------------------------------------------------------------------------- !> @brief Construct the residual vector. !-------------------------------------------------------------------------------------------------- subroutine formResidual(in,x_scal,r,dummy,err_PETSc) DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: & in PetscScalar, dimension( & XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: & x_scal PetscScalar, dimension( & X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: & r PetscObject :: dummy PetscErrorCode, intent(out) :: err_PETSc integer :: i, j, k, ce phi_current = x_scal !-------------------------------------------------------------------------------------------------- ! evaluate polarization field scalarField_real(1:cells(1),1:cells(2),1:cells3) = phi_current call utilities_fourierScalarGradient() ce = 0 do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1) ce = ce + 1 vectorField_real(1:3,i,j,k) = matmul(homogenization_K_phi(ce) - K_ref, vectorField_real(1:3,i,j,k)) end do; end do; end do call utilities_fourierVectorDivergence() ce = 0 do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1) ce = ce + 1 scalarField_real(i,j,k) = params%Delta_t*(scalarField_real(i,j,k) + homogenization_f_phi(phi_current(i,j,k),ce)) & + homogenization_mu_phi(ce)*(phi_lastInc(i,j,k) - phi_current(i,j,k)) & + mu_ref*phi_current(i,j,k) end do; end do; end do call utilities_fourierGreenConvolution(K_ref, mu_ref, params%Delta_t) !-------------------------------------------------------------------------------------------------- ! constructing residual r = max(min(scalarField_real(1:cells(1),1:cells(2),1:cells3),phi_lastInc),num%residualStiffness) & - phi_current err_PETSc = 0 end subroutine formResidual !-------------------------------------------------------------------------------------------------- !> @brief update reference viscosity and conductivity !-------------------------------------------------------------------------------------------------- subroutine updateReference() integer :: ce integer(MPI_INTEGER_KIND) :: err_MPI K_ref = 0.0_pReal mu_ref = 0.0_pReal do ce = 1, product(cells(1:2))*cells3 K_ref = K_ref + homogenization_K_phi(ce) mu_ref = mu_ref + homogenization_mu_phi(ce) end do K_ref = K_ref*wgt call MPI_Allreduce(MPI_IN_PLACE,K_ref,9_MPI_INTEGER_KIND,MPI_DOUBLE,MPI_SUM,MPI_COMM_WORLD,err_MPI) if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error' mu_ref = mu_ref*wgt call MPI_Allreduce(MPI_IN_PLACE,mu_ref,1_MPI_INTEGER_KIND,MPI_DOUBLE,MPI_SUM,MPI_COMM_WORLD,err_MPI) if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error' end subroutine updateReference end module grid_damage_spectral