383 lines
16 KiB
Fortran
383 lines
16 KiB
Fortran
!--------------------------------------------------------------------------------------------------
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!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Shaokang Zhang, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief Spectral solver for thermal conduction
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!--------------------------------------------------------------------------------------------------
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module grid_thermal_spectral
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#include <petsc/finclude/petscsnes.h>
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#include <petsc/finclude/petscdmda.h>
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use PETScDMDA
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use PETScSNES
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#if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>14) && !defined(PETSC_HAVE_MPI_F90MODULE_VISIBILITY)
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use MPI_f08
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#endif
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use prec
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use parallelization
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use IO
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use CLI
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use HDF5_utilities
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use HDF5
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use spectral_utilities
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use discretization_grid
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use homogenization
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use YAML_types
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use config
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implicit none
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private
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type :: tNumerics
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integer :: &
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itmax !< maximum number of iterations
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real(pReal) :: &
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eps_thermal_atol, & !< absolute tolerance for thermal equilibrium
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eps_thermal_rtol !< relative tolerance for thermal equilibrium
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end type tNumerics
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type(tNumerics) :: num
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type(tSolutionParams) :: params
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!--------------------------------------------------------------------------------------------------
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! PETSc data
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SNES :: SNES_thermal
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Vec :: solution_vec
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real(pReal), dimension(:,:,:), allocatable :: &
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T_current, & !< field of current temperature
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T_lastInc, & !< field of previous temperature
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T_stagInc !< field of staggered temperature
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!--------------------------------------------------------------------------------------------------
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! reference diffusion tensor, mobility etc.
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integer :: totalIter = 0 !< total iteration in current increment
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real(pReal), dimension(3,3) :: K_ref
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real(pReal) :: mu_ref
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public :: &
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grid_thermal_spectral_init, &
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grid_thermal_spectral_solution, &
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grid_thermal_spectral_restartWrite, &
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grid_thermal_spectral_forward
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contains
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!--------------------------------------------------------------------------------------------------
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!> @brief allocates all neccessary fields and fills them with data
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!--------------------------------------------------------------------------------------------------
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subroutine grid_thermal_spectral_init()
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PetscInt, dimension(0:worldsize-1) :: localK
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integer :: i, j, k, ce
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DM :: thermal_grid
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PetscScalar, dimension(:,:,:), pointer :: T_PETSc
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integer(MPI_INTEGER_KIND) :: err_MPI
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PetscErrorCode :: err_PETSc
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integer(HID_T) :: fileHandle, groupHandle
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class(tNode), pointer :: &
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num_grid
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print'(/,1x,a)', '<<<+- grid_thermal_spectral init -+>>>'
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print'(/,1x,a)', 'P. Shanthraj et al., Handbook of Mechanics of Materials, 2019'
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print'( 1x,a)', 'https://doi.org/10.1007/978-981-10-6855-3_80'
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!-------------------------------------------------------------------------------------------------
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! read numerical parameters and do sanity checks
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num_grid => config_numerics%get('grid',defaultVal=emptyDict)
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num%itmax = num_grid%get_asInt ('itmax', defaultVal=250)
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num%eps_thermal_atol = num_grid%get_asFloat ('eps_thermal_atol',defaultVal=1.0e-2_pReal)
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num%eps_thermal_rtol = num_grid%get_asFloat ('eps_thermal_rtol',defaultVal=1.0e-6_pReal)
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if (num%itmax <= 1) call IO_error(301,ext_msg='itmax')
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if (num%eps_thermal_atol <= 0.0_pReal) call IO_error(301,ext_msg='eps_thermal_atol')
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if (num%eps_thermal_rtol <= 0.0_pReal) call IO_error(301,ext_msg='eps_thermal_rtol')
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!--------------------------------------------------------------------------------------------------
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! set default and user defined options for PETSc
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call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-thermal_snes_type newtonls -thermal_snes_mf &
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&-thermal_snes_ksp_ew -thermal_ksp_type fgmres',err_PETSc)
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CHKERRQ(err_PETSc)
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call PetscOptionsInsertString(PETSC_NULL_OPTIONS,num_grid%get_asString('petsc_options',defaultVal=''),err_PETSc)
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CHKERRQ(err_PETSc)
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!--------------------------------------------------------------------------------------------------
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! init fields
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T_current = discretization_grid_getInitialCondition('T')
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T_lastInc = T_current
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T_stagInc = T_current
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!--------------------------------------------------------------------------------------------------
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! initialize solver specific parts of PETSc
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call SNESCreate(PETSC_COMM_WORLD,SNES_thermal,err_PETSc)
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CHKERRQ(err_PETSc)
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call SNESSetOptionsPrefix(SNES_thermal,'thermal_',err_PETSc)
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CHKERRQ(err_PETSc)
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localK = 0_pPetscInt
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localK(worldrank) = int(cells3,pPetscInt)
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call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,MPI_COMM_WORLD,err_MPI)
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if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
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call DMDACreate3D(PETSC_COMM_WORLD, &
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DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary
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DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point
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int(cells(1),pPetscInt),int(cells(2),pPetscInt),int(cells(3),pPetscInt), & ! global cells
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1_pPetscInt, 1_pPetscInt, int(worldsize,pPetscInt), &
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1_pPetscInt, 0_pPetscInt, & ! #dof (T, scalar), ghost boundary width (domain overlap)
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[int(cells(1),pPetscInt)],[int(cells(2),pPetscInt)],localK, & ! local cells
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thermal_grid,err_PETSc) ! handle, error
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CHKERRQ(err_PETSc)
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call DMsetFromOptions(thermal_grid,err_PETSc)
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CHKERRQ(err_PETSc)
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call DMsetUp(thermal_grid,err_PETSc)
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CHKERRQ(err_PETSc)
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call DMCreateGlobalVector(thermal_grid,solution_vec,err_PETSc) ! global solution vector (cells x 1, i.e. every def grad tensor)
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CHKERRQ(err_PETSc)
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call DMDASNESSetFunctionLocal(thermal_grid,INSERT_VALUES,formResidual,PETSC_NULL_SNES,err_PETSc) ! residual vector of same shape as solution vector
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CHKERRQ(err_PETSc)
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call SNESSetDM(SNES_thermal,thermal_grid,err_PETSc)
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CHKERRQ(err_PETSc)
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call SNESSetFromOptions(SNES_thermal,err_PETSc) ! pull it all together with additional CLI arguments
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CHKERRQ(err_PETSc)
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restartRead: if (CLI_restartInc > 0) then
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print'(/,1x,a,i0,a)', 'reading restart data of increment ', CLI_restartInc, ' from file'
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fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','r')
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groupHandle = HDF5_openGroup(fileHandle,'solver')
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call HDF5_read(T_current,groupHandle,'T',.false.)
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call HDF5_read(T_lastInc,groupHandle,'T_lastInc',.false.)
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end if restartRead
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ce = 0
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do k = 1, cells3; do j = 1, cells(2); do i = 1, cells(1)
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ce = ce + 1
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call homogenization_thermal_setField(T_current(i,j,k),0.0_pReal,ce)
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end do; end do; end do
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call DMDAVecGetArrayF90(thermal_grid,solution_vec,T_PETSc,err_PETSc)
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CHKERRQ(err_PETSc)
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T_PETSc = T_current
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call DMDAVecRestoreArrayF90(thermal_grid,solution_vec,T_PETSc,err_PETSc)
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CHKERRQ(err_PETSc)
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call updateReference()
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end subroutine grid_thermal_spectral_init
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!--------------------------------------------------------------------------------------------------
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!> @brief solution for the spectral thermal scheme with internal iterations
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!--------------------------------------------------------------------------------------------------
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function grid_thermal_spectral_solution(Delta_t) result(solution)
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real(pReal), intent(in) :: &
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Delta_t !< increment in time for current solution
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integer :: i, j, k, ce
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type(tSolutionState) :: solution
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PetscInt :: devNull
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PetscReal :: T_min, T_max, stagNorm
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integer(MPI_INTEGER_KIND) :: err_MPI
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PetscErrorCode :: err_PETSc
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SNESConvergedReason :: reason
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solution%converged =.false.
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!--------------------------------------------------------------------------------------------------
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! set module wide availabe data
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params%Delta_t = Delta_t
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call SNESSolve(SNES_thermal,PETSC_NULL_VEC,solution_vec,err_PETSc)
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CHKERRQ(err_PETSc)
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call SNESGetConvergedReason(SNES_thermal,reason,err_PETSc)
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CHKERRQ(err_PETSc)
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if (reason < 1) then
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solution%converged = .false.
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solution%iterationsNeeded = num%itmax
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else
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solution%converged = .true.
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solution%iterationsNeeded = totalIter
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end if
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stagNorm = maxval(abs(T_current - T_stagInc))
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call MPI_Allreduce(MPI_IN_PLACE,stagNorm,1_MPI_INTEGER_KIND,MPI_DOUBLE,MPI_MAX,MPI_COMM_WORLD,err_MPI)
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if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
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solution%stagConverged = stagNorm < max(num%eps_thermal_atol, num%eps_thermal_rtol*maxval(T_current))
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call MPI_Allreduce(MPI_IN_PLACE,solution%stagConverged,1_MPI_INTEGER_KIND,MPI_LOGICAL,MPI_LAND,MPI_COMM_WORLD,err_MPI)
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if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
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T_stagInc = T_current
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!--------------------------------------------------------------------------------------------------
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! updating thermal state
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ce = 0
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do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1)
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ce = ce + 1
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call homogenization_thermal_setField(T_current(i,j,k),(T_current(i,j,k)-T_lastInc(i,j,k))/params%Delta_t,ce)
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end do; end do; end do
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call VecMin(solution_vec,devNull,T_min,err_PETSc)
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CHKERRQ(err_PETSc)
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call VecMax(solution_vec,devNull,T_max,err_PETSc)
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CHKERRQ(err_PETSc)
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if (solution%converged) &
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print'(/,1x,a)', '... thermal conduction converged ..................................'
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print'(/,1x,a,f8.4,2x,f8.4,2x,f8.4)', 'Minimum|Maximum|Delta Temperature / K = ', T_min, T_max, stagNorm
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print'(/,1x,a)', '==========================================================================='
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flush(IO_STDOUT)
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end function grid_thermal_spectral_solution
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!--------------------------------------------------------------------------------------------------
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!> @brief forwarding routine
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!--------------------------------------------------------------------------------------------------
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subroutine grid_thermal_spectral_forward(cutBack)
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logical, intent(in) :: cutBack
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integer :: i, j, k, ce
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DM :: dm_local
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PetscScalar, dimension(:,:,:), pointer :: T_PETSc
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PetscErrorCode :: err_PETSc
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if (cutBack) then
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T_current = T_lastInc
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T_stagInc = T_lastInc
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!--------------------------------------------------------------------------------------------------
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! reverting thermal field state
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call SNESGetDM(SNES_thermal,dm_local,err_PETSc)
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CHKERRQ(err_PETSc)
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call DMDAVecGetArrayF90(dm_local,solution_vec,T_PETSc,err_PETSc) !< get the data out of PETSc to work with
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CHKERRQ(err_PETSc)
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T_PETSc = T_current
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call DMDAVecRestoreArrayF90(dm_local,solution_vec,T_PETSc,err_PETSc)
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CHKERRQ(err_PETSc)
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ce = 0
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do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1)
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ce = ce + 1
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call homogenization_thermal_setField(T_current(i,j,k),(T_current(i,j,k)-T_lastInc(i,j,k))/params%Delta_t,ce)
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end do; end do; end do
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else
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T_lastInc = T_current
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call updateReference
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end if
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end subroutine grid_thermal_spectral_forward
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!--------------------------------------------------------------------------------------------------
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!> @brief Write current solver and constitutive data for restart to file
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!--------------------------------------------------------------------------------------------------
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subroutine grid_thermal_spectral_restartWrite
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PetscErrorCode :: err_PETSc
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DM :: dm_local
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integer(HID_T) :: fileHandle, groupHandle
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PetscScalar, dimension(:,:,:), pointer :: T
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call SNESGetDM(SNES_thermal,dm_local,err_PETSc);
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CHKERRQ(err_PETSc)
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call DMDAVecGetArrayF90(dm_local,solution_vec,T,err_PETSc);
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CHKERRQ(err_PETSc)
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print'(1x,a)', 'writing thermal solver data required for restart to file'; flush(IO_STDOUT)
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fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','a')
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groupHandle = HDF5_openGroup(fileHandle,'solver')
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call HDF5_write(T,groupHandle,'T')
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call HDF5_write(T_lastInc,groupHandle,'T_lastInc')
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call HDF5_closeGroup(groupHandle)
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call HDF5_closeFile(fileHandle)
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call DMDAVecRestoreArrayF90(dm_local,solution_vec,T,err_PETSc);
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CHKERRQ(err_PETSc)
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end subroutine grid_thermal_spectral_restartWrite
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!--------------------------------------------------------------------------------------------------
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!> @brief forms the spectral thermal residual vector
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!--------------------------------------------------------------------------------------------------
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subroutine formResidual(in,x_scal,r,dummy,err_PETSc)
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DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: &
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in
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PetscScalar, dimension( &
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XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: &
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x_scal
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PetscScalar, dimension( &
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X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: &
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r
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PetscObject :: dummy
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PetscErrorCode :: err_PETSc
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integer :: i, j, k, ce
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T_current = x_scal
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!--------------------------------------------------------------------------------------------------
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! evaluate polarization field
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scalarField_real = 0.0_pReal
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scalarField_real(1:cells(1),1:cells(2),1:cells3) = T_current
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call utilities_FFTscalarForward
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call utilities_fourierScalarGradient !< calculate gradient of temperature field
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call utilities_FFTvectorBackward
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ce = 0
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do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1)
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ce = ce + 1
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vectorField_real(1:3,i,j,k) = matmul(homogenization_K_T(ce) - K_ref, vectorField_real(1:3,i,j,k))
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end do; end do; end do
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call utilities_FFTvectorForward
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call utilities_fourierVectorDivergence !< calculate temperature divergence in fourier field
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call utilities_FFTscalarBackward
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ce = 0
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do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1)
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ce = ce + 1
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scalarField_real(i,j,k) = params%Delta_t*(scalarField_real(i,j,k) + homogenization_f_T(ce)) &
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+ homogenization_mu_T(ce) * (T_lastInc(i,j,k) - T_current(i,j,k)) &
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+ mu_ref*T_current(i,j,k)
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end do; end do; end do
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!--------------------------------------------------------------------------------------------------
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! convolution of temperature field with green operator
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call utilities_FFTscalarForward
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call utilities_fourierGreenConvolution(K_ref, mu_ref, params%Delta_t)
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call utilities_FFTscalarBackward
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!--------------------------------------------------------------------------------------------------
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! constructing residual
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r = T_current - scalarField_real(1:cells(1),1:cells(2),1:cells3)
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err_PETSc = 0
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end subroutine formResidual
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!--------------------------------------------------------------------------------------------------
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!> @brief update reference viscosity and conductivity
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!--------------------------------------------------------------------------------------------------
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subroutine updateReference()
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integer :: ce
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integer(MPI_INTEGER_KIND) :: err_MPI
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K_ref = 0.0_pReal
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mu_ref = 0.0_pReal
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do ce = 1, product(cells(1:2))*cells3
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K_ref = K_ref + homogenization_K_T(ce)
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mu_ref = mu_ref + homogenization_mu_T(ce)
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end do
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K_ref = K_ref*wgt
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call MPI_Allreduce(MPI_IN_PLACE,K_ref,9_MPI_INTEGER_KIND,MPI_DOUBLE,MPI_SUM,MPI_COMM_WORLD,err_MPI)
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if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
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mu_ref = mu_ref*wgt
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call MPI_Allreduce(MPI_IN_PLACE,mu_ref,1_MPI_INTEGER_KIND,MPI_DOUBLE,MPI_SUM,MPI_COMM_WORLD,err_MPI)
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if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
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end subroutine updateReference
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end module grid_thermal_spectral
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