!-------------------------------------------------------------------------------------------------- !> @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 spectral_damage #include #include use PETScdmda use PETScsnes use prec, only: & pInt, & pReal use math, only: & math_I3 use spectral_utilities, only: & tSolutionState, & tSolutionParams use numerics, only: & worldrank, & worldsize implicit none private character (len=*), parameter, public :: & spectral_damage_label = 'spectraldamage' !-------------------------------------------------------------------------------------------------- ! derived types type(tSolutionParams), private :: params !-------------------------------------------------------------------------------------------------- ! PETSc data SNES, private :: damage_snes Vec, private :: solution PetscInt, private :: xstart, xend, ystart, yend, zstart, zend real(pReal), private, dimension(:,:,:), allocatable :: & damage_current, & !< field of current damage damage_lastInc, & !< field of previous damage damage_stagInc !< field of staggered damage !-------------------------------------------------------------------------------------------------- ! reference diffusion tensor, mobility etc. integer(pInt), private :: totalIter = 0_pInt !< total iteration in current increment real(pReal), dimension(3,3), private :: D_ref real(pReal), private :: mobility_ref public :: & spectral_damage_init, & spectral_damage_solution, & spectral_damage_forward external :: & PETScErrorF ! is called in the CHKERRQ macro contains !-------------------------------------------------------------------------------------------------- !> @brief allocates all neccessary fields and fills them with data, potentially from restart info !-------------------------------------------------------------------------------------------------- subroutine spectral_damage_init() #if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800 use, intrinsic :: iso_fortran_env, only: & compiler_version, & compiler_options #endif use IO, only: & IO_intOut, & IO_read_realFile, & IO_timeStamp use spectral_utilities, only: & wgt use mesh, only: & grid, & grid3 use damage_nonlocal, only: & damage_nonlocal_getDiffusion33, & damage_nonlocal_getMobility implicit none PetscInt, dimension(:), allocatable :: localK integer(pInt) :: proc integer(pInt) :: i, j, k, cell DM :: damage_grid Vec :: uBound, lBound PetscErrorCode :: ierr character(len=100) :: snes_type external :: & SNESSetOptionsPrefix, & SNESGetType, & DMDAGetCorners, & DMDASNESSetFunctionLocal write(6,'(/,a)') ' <<<+- spectral_damage init -+>>>' write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, volume in press, ' write(6,'(a,/)') ' chapter Spectral Solvers for Crystal Plasticity and Multi-Physics Simulations. Springer, 2018 ' write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" !-------------------------------------------------------------------------------------------------- ! initialize solver specific parts of PETSc call SNESCreate(PETSC_COMM_WORLD,damage_snes,ierr); CHKERRQ(ierr) call SNESSetOptionsPrefix(damage_snes,'damage_',ierr);CHKERRQ(ierr) allocate(localK(worldsize), source = 0); localK(worldrank+1) = grid3 do proc = 1, worldsize call MPI_Bcast(localK(proc),1,MPI_INTEGER,proc-1,PETSC_COMM_WORLD,ierr) enddo 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 grid(1),grid(2),grid(3), & !< global grid 1, 1, worldsize, & 1, 0, & !< #dof (damage phase field), ghost boundary width (domain overlap) [grid(1)],[grid(2)],localK, & !< local grid damage_grid,ierr) !< handle, error CHKERRQ(ierr) call SNESSetDM(damage_snes,damage_grid,ierr); CHKERRQ(ierr) !< connect snes to da call DMsetFromOptions(damage_grid,ierr); CHKERRQ(ierr) call DMsetUp(damage_grid,ierr); CHKERRQ(ierr) call DMCreateGlobalVector(damage_grid,solution,ierr); CHKERRQ(ierr) !< global solution vector (grid x 1, i.e. every def grad tensor) call DMDASNESSetFunctionLocal(damage_grid,INSERT_VALUES,spectral_damage_formResidual,& PETSC_NULL_SNES,ierr) !< residual vector of same shape as solution vector CHKERRQ(ierr) call SNESSetFromOptions(damage_snes,ierr); CHKERRQ(ierr) !< pull it all together with additional CLI arguments call SNESGetType(damage_snes,snes_type,ierr); CHKERRQ(ierr) if (trim(snes_type) == 'vinewtonrsls' .or. & trim(snes_type) == 'vinewtonssls') then call DMGetGlobalVector(damage_grid,lBound,ierr); CHKERRQ(ierr) call DMGetGlobalVector(damage_grid,uBound,ierr); CHKERRQ(ierr) call VecSet(lBound,0.0,ierr); CHKERRQ(ierr) call VecSet(uBound,1.0,ierr); CHKERRQ(ierr) call SNESVISetVariableBounds(damage_snes,lBound,uBound,ierr) !< variable bounds for variational inequalities like contact mechanics, damage etc. call DMRestoreGlobalVector(damage_grid,lBound,ierr); CHKERRQ(ierr) call DMRestoreGlobalVector(damage_grid,uBound,ierr); CHKERRQ(ierr) endif !-------------------------------------------------------------------------------------------------- ! init fields call DMDAGetCorners(damage_grid,xstart,ystart,zstart,xend,yend,zend,ierr) CHKERRQ(ierr) xend = xstart + xend - 1 yend = ystart + yend - 1 zend = zstart + zend - 1 call VecSet(solution,1.0,ierr); CHKERRQ(ierr) allocate(damage_current(grid(1),grid(2),grid3), source=1.0_pReal) allocate(damage_lastInc(grid(1),grid(2),grid3), source=1.0_pReal) allocate(damage_stagInc(grid(1),grid(2),grid3), source=1.0_pReal) !-------------------------------------------------------------------------------------------------- ! damage reference diffusion update cell = 0_pInt D_ref = 0.0_pReal mobility_ref = 0.0_pReal do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt,grid(1) cell = cell + 1_pInt D_ref = D_ref + damage_nonlocal_getDiffusion33(1,cell) mobility_ref = mobility_ref + damage_nonlocal_getMobility(1,cell) enddo; enddo; enddo D_ref = D_ref*wgt call MPI_Allreduce(MPI_IN_PLACE,D_ref,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr) mobility_ref = mobility_ref*wgt call MPI_Allreduce(MPI_IN_PLACE,mobility_ref,1,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr) end subroutine spectral_damage_init !-------------------------------------------------------------------------------------------------- !> @brief solution for the spectral damage scheme with internal iterations !-------------------------------------------------------------------------------------------------- type(tSolutionState) function spectral_damage_solution(timeinc,timeinc_old,loadCaseTime) use numerics, only: & itmax, & err_damage_tolAbs, & err_damage_tolRel use mesh, only: & grid, & grid3 use damage_nonlocal, only: & damage_nonlocal_putNonLocalDamage implicit none !-------------------------------------------------------------------------------------------------- ! input data for solution real(pReal), intent(in) :: & timeinc, & !< increment in time for current solution timeinc_old, & !< increment in time of last increment loadCaseTime !< remaining time of current load case integer(pInt) :: i, j, k, cell PetscInt ::position PetscReal :: minDamage, maxDamage, stagNorm, solnNorm !-------------------------------------------------------------------------------------------------- ! PETSc Data PetscErrorCode :: ierr SNESConvergedReason :: reason external :: & VecMin, & VecMax, & SNESSolve spectral_damage_solution%converged =.false. !-------------------------------------------------------------------------------------------------- ! set module wide availabe data params%timeinc = timeinc params%timeincOld = timeinc_old call SNESSolve(damage_snes,PETSC_NULL_VEC,solution,ierr); CHKERRQ(ierr) call SNESGetConvergedReason(damage_snes,reason,ierr); CHKERRQ(ierr) if (reason < 1) then spectral_damage_solution%converged = .false. spectral_damage_solution%iterationsNeeded = itmax else spectral_damage_solution%converged = .true. spectral_damage_solution%iterationsNeeded = totalIter endif stagNorm = maxval(abs(damage_current - damage_stagInc)) solnNorm = maxval(abs(damage_current)) call MPI_Allreduce(MPI_IN_PLACE,stagNorm,1,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,solnNorm,1,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr) damage_stagInc = damage_current spectral_damage_solution%stagConverged = stagNorm < err_damage_tolAbs & .or. stagNorm < err_damage_tolRel*solnNorm !-------------------------------------------------------------------------------------------------- ! updating damage state cell = 0_pInt !< material point = 0 do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt,grid(1) cell = cell + 1_pInt !< material point increase call damage_nonlocal_putNonLocalDamage(damage_current(i,j,k),1,cell) enddo; enddo; enddo call VecMin(solution,position,minDamage,ierr); CHKERRQ(ierr) call VecMax(solution,position,maxDamage,ierr); CHKERRQ(ierr) if (spectral_damage_solution%converged) & write(6,'(/,a)') ' ... nonlocal damage converged .....................................' write(6,'(/,a,f8.6,2x,f8.6,2x,f8.6,/)',advance='no') ' Minimum|Maximum|Delta Damage = ',& minDamage, maxDamage, stagNorm write(6,'(/,a)') ' ===========================================================================' flush(6) end function spectral_damage_solution !-------------------------------------------------------------------------------------------------- !> @brief forms the spectral damage residual vector !-------------------------------------------------------------------------------------------------- subroutine spectral_damage_formResidual(in,x_scal,f_scal,dummy,ierr) use numerics, only: & residualStiffness use mesh, only: & grid, & grid3 use math, only: & math_mul33x3 use spectral_utilities, only: & scalarField_real, & vectorField_real, & utilities_FFTvectorForward, & utilities_FFTvectorBackward, & utilities_FFTscalarForward, & utilities_FFTscalarBackward, & utilities_fourierGreenConvolution, & utilities_fourierScalarGradient, & utilities_fourierVectorDivergence use damage_nonlocal, only: & damage_nonlocal_getSourceAndItsTangent,& damage_nonlocal_getDiffusion33, & damage_nonlocal_getMobility implicit none 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) :: & f_scal PetscObject :: dummy PetscErrorCode :: ierr integer(pInt) :: i, j, k, cell real(pReal) :: phiDot, dPhiDot_dPhi, mobility damage_current = x_scal !-------------------------------------------------------------------------------------------------- ! evaluate polarization field scalarField_real = 0.0_pReal scalarField_real(1:grid(1),1:grid(2),1:grid3) = damage_current call utilities_FFTscalarForward() call utilities_fourierScalarGradient() !< calculate gradient of damage field call utilities_FFTvectorBackward() cell = 0_pInt do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt,grid(1) cell = cell + 1_pInt vectorField_real(1:3,i,j,k) = math_mul33x3(damage_nonlocal_getDiffusion33(1,cell) - D_ref, & vectorField_real(1:3,i,j,k)) enddo; enddo; enddo call utilities_FFTvectorForward() call utilities_fourierVectorDivergence() !< calculate damage divergence in fourier field call utilities_FFTscalarBackward() cell = 0_pInt do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt,grid(1) cell = cell + 1_pInt call damage_nonlocal_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, damage_current(i,j,k), 1, cell) mobility = damage_nonlocal_getMobility(1,cell) scalarField_real(i,j,k) = params%timeinc*scalarField_real(i,j,k) + & params%timeinc*phiDot + & mobility*damage_lastInc(i,j,k) - & mobility*damage_current(i,j,k) + & mobility_ref*damage_current(i,j,k) enddo; enddo; enddo !-------------------------------------------------------------------------------------------------- ! convolution of damage field with green operator call utilities_FFTscalarForward() call utilities_fourierGreenConvolution(D_ref, mobility_ref, params%timeinc) call utilities_FFTscalarBackward() where(scalarField_real(1:grid(1),1:grid(2),1:grid3) > damage_lastInc) & scalarField_real(1:grid(1),1:grid(2),1:grid3) = damage_lastInc where(scalarField_real(1:grid(1),1:grid(2),1:grid3) < residualStiffness) & scalarField_real(1:grid(1),1:grid(2),1:grid3) = residualStiffness !-------------------------------------------------------------------------------------------------- ! constructing residual f_scal = scalarField_real(1:grid(1),1:grid(2),1:grid3) - damage_current end subroutine spectral_damage_formResidual !-------------------------------------------------------------------------------------------------- !> @brief spectral damage forwarding routine !-------------------------------------------------------------------------------------------------- subroutine spectral_damage_forward() use mesh, only: & grid, & grid3 use spectral_utilities, only: & cutBack, & wgt use damage_nonlocal, only: & damage_nonlocal_putNonLocalDamage, & damage_nonlocal_getDiffusion33, & damage_nonlocal_getMobility implicit none integer(pInt) :: i, j, k, cell DM :: dm_local PetscScalar, dimension(:,:,:), pointer :: x_scal PetscErrorCode :: ierr if (cutBack) then damage_current = damage_lastInc damage_stagInc = damage_lastInc !-------------------------------------------------------------------------------------------------- ! reverting damage field state cell = 0_pInt call SNESGetDM(damage_snes,dm_local,ierr); CHKERRQ(ierr) call DMDAVecGetArrayF90(dm_local,solution,x_scal,ierr); CHKERRQ(ierr) !< get the data out of PETSc to work with x_scal(xstart:xend,ystart:yend,zstart:zend) = damage_current call DMDAVecRestoreArrayF90(dm_local,solution,x_scal,ierr); CHKERRQ(ierr) do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt,grid(1) cell = cell + 1_pInt call damage_nonlocal_putNonLocalDamage(damage_current(i,j,k),1,cell) enddo; enddo; enddo else !-------------------------------------------------------------------------------------------------- ! update rate and forward last inc damage_lastInc = damage_current cell = 0_pInt D_ref = 0.0_pReal mobility_ref = 0.0_pReal do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt,grid(1) cell = cell + 1_pInt D_ref = D_ref + damage_nonlocal_getDiffusion33(1,cell) mobility_ref = mobility_ref + damage_nonlocal_getMobility(1,cell) enddo; enddo; enddo D_ref = D_ref*wgt call MPI_Allreduce(MPI_IN_PLACE,D_ref,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr) mobility_ref = mobility_ref*wgt call MPI_Allreduce(MPI_IN_PLACE,mobility_ref,1,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr) endif end subroutine spectral_damage_forward end module spectral_damage