424 lines
19 KiB
Fortran
424 lines
19 KiB
Fortran
!--------------------------------------------------------------------------------------------------
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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 spectral_thermal
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use prec, only: &
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pInt, &
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pReal
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use math, only: &
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math_I3
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use spectral_utilities, only: &
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tSolutionState, &
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tSolutionParams
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use numerics, only: &
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worldrank, &
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worldsize
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implicit none
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private
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#include <petsc/finclude/petsc.h90>
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character (len=*), parameter, public :: &
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spectral_thermal_label = 'spectralthermal'
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!--------------------------------------------------------------------------------------------------
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! derived types
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type(tSolutionParams), private :: params
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!--------------------------------------------------------------------------------------------------
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! PETSc data
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SNES, private :: thermal_snes
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Vec, private :: solution
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PetscInt, private :: xstart, xend, ystart, yend, zstart, zend
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real(pReal), private, dimension(:,:,:), allocatable :: &
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temperature_current, & !< field of current temperature
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temperature_lastInc, & !< field of previous temperature
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temperature_stagInc !< field of staggered temperature
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!--------------------------------------------------------------------------------------------------
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! reference diffusion tensor, mobility etc.
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integer(pInt), private :: totalIter = 0_pInt !< total iteration in current increment
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real(pReal), dimension(3,3), private :: D_ref
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real(pReal), private :: mobility_ref
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public :: &
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spectral_thermal_init, &
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spectral_thermal_solution, &
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spectral_thermal_forward, &
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spectral_thermal_destroy
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external :: &
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PETScFinalize, &
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MPI_Abort, &
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MPI_Bcast, &
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MPI_Allreduce
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contains
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!--------------------------------------------------------------------------------------------------
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!> @brief allocates all neccessary fields and fills them with data, potentially from restart info
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!--------------------------------------------------------------------------------------------------
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subroutine spectral_thermal_init
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment)
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use IO, only: &
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IO_intOut, &
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IO_read_realFile, &
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IO_timeStamp
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use spectral_utilities, only: &
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wgt
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use mesh, only: &
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grid, &
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grid3
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use thermal_conduction, only: &
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thermal_conduction_getConductivity33, &
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thermal_conduction_getMassDensity, &
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thermal_conduction_getSpecificHeat
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use material, only: &
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mappingHomogenization, &
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temperature, &
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thermalMapping
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implicit none
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integer(pInt), dimension(:), allocatable :: localK
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integer(pInt) :: proc
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integer(pInt) :: i, j, k, cell
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DM :: thermal_grid
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PetscScalar, dimension(:,:,:), pointer :: x_scal
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PetscErrorCode :: ierr
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external :: &
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SNESCreate, &
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SNESSetOptionsPrefix, &
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DMDACreate3D, &
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SNESSetDM, &
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DMDAGetCorners, &
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DMCreateGlobalVector, &
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DMDASNESSetFunctionLocal, &
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SNESSetFromOptions
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mainProcess: if (worldrank == 0_pInt) then
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write(6,'(/,a)') ' <<<+- spectral_thermal init -+>>>'
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write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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#include "compilation_info.f90"
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endif mainProcess
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!--------------------------------------------------------------------------------------------------
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! initialize solver specific parts of PETSc
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call SNESCreate(PETSC_COMM_WORLD,thermal_snes,ierr); CHKERRQ(ierr)
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call SNESSetOptionsPrefix(thermal_snes,'thermal_',ierr);CHKERRQ(ierr)
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allocate(localK(worldsize), source = 0); localK(worldrank+1) = grid3
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do proc = 1, worldsize
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call MPI_Bcast(localK(proc),1,MPI_INTEGER,proc-1,PETSC_COMM_WORLD,ierr)
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enddo
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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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grid(1),grid(2),grid(3), & ! global grid
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1, 1, worldsize, &
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1, 0, & ! #dof (temperature field), ghost boundary width (domain overlap)
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grid (1),grid(2),localK, & ! local grid
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thermal_grid,ierr) ! handle, error
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CHKERRQ(ierr)
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call SNESSetDM(thermal_snes,thermal_grid,ierr); CHKERRQ(ierr) ! connect snes to da
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call DMCreateGlobalVector(thermal_grid,solution ,ierr); CHKERRQ(ierr) ! global solution vector (grid x 1, i.e. every def grad tensor)
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call DMDASNESSetFunctionLocal(thermal_grid,INSERT_VALUES,spectral_thermal_formResidual,&
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PETSC_NULL_OBJECT,ierr) ! residual vector of same shape as solution vector
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CHKERRQ(ierr)
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call SNESSetFromOptions(thermal_snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
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!--------------------------------------------------------------------------------------------------
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! init fields
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call DMDAGetCorners(thermal_grid,xstart,ystart,zstart,xend,yend,zend,ierr)
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CHKERRQ(ierr)
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xend = xstart + xend - 1
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yend = ystart + yend - 1
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zend = zstart + zend - 1
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allocate(temperature_current(grid(1),grid(2),grid3), source=0.0_pReal)
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allocate(temperature_lastInc(grid(1),grid(2),grid3), source=0.0_pReal)
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allocate(temperature_stagInc(grid(1),grid(2),grid3), source=0.0_pReal)
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cell = 0_pInt
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do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt,grid(1)
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cell = cell + 1_pInt
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temperature_current(i,j,k) = temperature(mappingHomogenization(2,1,cell))% &
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p(thermalMapping(mappingHomogenization(2,1,cell))%p(1,cell))
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temperature_lastInc(i,j,k) = temperature_current(i,j,k)
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temperature_stagInc(i,j,k) = temperature_current(i,j,k)
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enddo; enddo; enddo
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call DMDAVecGetArrayF90(thermal_grid,solution,x_scal,ierr); CHKERRQ(ierr) !< get the data out of PETSc to work with
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x_scal(xstart:xend,ystart:yend,zstart:zend) = temperature_current
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call DMDAVecRestoreArrayF90(thermal_grid,solution,x_scal,ierr); CHKERRQ(ierr)
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!--------------------------------------------------------------------------------------------------
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! thermal reference diffusion update
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cell = 0_pInt
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D_ref = 0.0_pReal
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mobility_ref = 0.0_pReal
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do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt,grid(1)
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cell = cell + 1_pInt
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D_ref = D_ref + thermal_conduction_getConductivity33(1,cell)
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mobility_ref = mobility_ref + thermal_conduction_getMassDensity(1,cell)* &
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thermal_conduction_getSpecificHeat(1,cell)
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enddo; enddo; enddo
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D_ref = D_ref*wgt
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call MPI_Allreduce(MPI_IN_PLACE,D_ref,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
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mobility_ref = mobility_ref*wgt
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call MPI_Allreduce(MPI_IN_PLACE,mobility_ref,1,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
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end subroutine spectral_thermal_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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type(tSolutionState) function spectral_thermal_solution(guess,timeinc,timeinc_old,loadCaseTime)
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use numerics, only: &
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itmax, &
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err_thermal_tolAbs, &
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err_thermal_tolRel
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use mesh, only: &
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grid, &
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grid3
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use thermal_conduction, only: &
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thermal_conduction_putTemperatureAndItsRate
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implicit none
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!--------------------------------------------------------------------------------------------------
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! input data for solution
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real(pReal), intent(in) :: &
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timeinc, & !< increment in time for current solution
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timeinc_old, & !< increment in time of last increment
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loadCaseTime !< remaining time of current load case
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logical, intent(in) :: guess
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integer(pInt) :: i, j, k, cell
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PetscInt :: position
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PetscReal :: minTemperature, maxTemperature, stagNorm, solnNorm
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!--------------------------------------------------------------------------------------------------
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! PETSc Data
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PetscErrorCode :: ierr
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SNESConvergedReason :: reason
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external :: &
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VecMin, &
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VecMax, &
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SNESSolve, &
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SNESGetConvergedReason
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spectral_thermal_solution%converged =.false.
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!--------------------------------------------------------------------------------------------------
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! set module wide availabe data
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params%timeinc = timeinc
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params%timeincOld = timeinc_old
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call SNESSolve(thermal_snes,PETSC_NULL_OBJECT,solution,ierr); CHKERRQ(ierr)
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call SNESGetConvergedReason(thermal_snes,reason,ierr); CHKERRQ(ierr)
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if (reason < 1) then
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spectral_thermal_solution%converged = .false.
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spectral_thermal_solution%iterationsNeeded = itmax
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else
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spectral_thermal_solution%converged = .true.
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spectral_thermal_solution%iterationsNeeded = totalIter
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endif
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stagNorm = maxval(abs(temperature_current - temperature_stagInc))
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solnNorm = maxval(abs(temperature_current))
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call MPI_Allreduce(MPI_IN_PLACE,stagNorm,1,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr)
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call MPI_Allreduce(MPI_IN_PLACE,solnNorm,1,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr)
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temperature_stagInc = temperature_current
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spectral_thermal_solution%stagConverged = stagNorm < err_thermal_tolAbs &
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.or. stagNorm < err_thermal_tolRel*solnNorm
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!--------------------------------------------------------------------------------------------------
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! updating thermal state
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cell = 0_pInt !< material point = 0
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do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt,grid(1)
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cell = cell + 1_pInt !< material point increase
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call thermal_conduction_putTemperatureAndItsRate(temperature_current(i,j,k), &
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(temperature_current(i,j,k)-temperature_lastInc(i,j,k))/params%timeinc, &
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1,cell)
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enddo; enddo; enddo
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call VecMin(solution,position,minTemperature,ierr); CHKERRQ(ierr)
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call VecMax(solution,position,maxTemperature,ierr); CHKERRQ(ierr)
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if (worldrank == 0) then
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if (spectral_thermal_solution%converged) &
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write(6,'(/,a)') ' ... thermal conduction converged ..................................'
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write(6,'(/,a,f8.4,2x,f8.4,2x,f8.4,/)',advance='no') ' Minimum|Maximum|Delta Temperature / K = ',&
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minTemperature, maxTemperature, stagNorm
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write(6,'(/,a)') ' ==========================================================================='
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flush(6)
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endif
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end function spectral_thermal_solution
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!--------------------------------------------------------------------------------------------------
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!> @brief forms the spectral thermal residual vector
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!--------------------------------------------------------------------------------------------------
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subroutine spectral_thermal_formResidual(in,x_scal,f_scal,dummy,ierr)
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use mesh, only: &
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grid, &
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grid3
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use math, only: &
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math_mul33x3
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use spectral_utilities, only: &
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scalarField_real, &
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vectorField_real, &
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utilities_FFTvectorForward, &
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utilities_FFTvectorBackward, &
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utilities_FFTscalarForward, &
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utilities_FFTscalarBackward, &
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utilities_fourierGreenConvolution, &
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utilities_fourierScalarGradient, &
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utilities_fourierVectorDivergence
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use thermal_conduction, only: &
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thermal_conduction_getSourceAndItsTangent, &
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thermal_conduction_getConductivity33, &
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thermal_conduction_getMassDensity, &
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thermal_conduction_getSpecificHeat
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implicit none
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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) :: &
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x_scal
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PetscScalar, dimension( &
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X_RANGE,Y_RANGE,Z_RANGE) :: &
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f_scal
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PetscObject :: dummy
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PetscErrorCode :: ierr
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integer(pInt) :: i, j, k, cell
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real(pReal) :: Tdot, dTdot_dT
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temperature_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:grid(1),1:grid(2),1:grid3) = temperature_current
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call utilities_FFTscalarForward()
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call utilities_fourierScalarGradient() !< calculate gradient of damage field
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call utilities_FFTvectorBackward()
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cell = 0_pInt
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do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt,grid(1)
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cell = cell + 1_pInt
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vectorField_real(1:3,i,j,k) = math_mul33x3(thermal_conduction_getConductivity33(1,cell) - D_ref, &
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vectorField_real(1:3,i,j,k))
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enddo; enddo; enddo
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call utilities_FFTvectorForward()
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call utilities_fourierVectorDivergence() !< calculate damage divergence in fourier field
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call utilities_FFTscalarBackward()
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cell = 0_pInt
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do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt,grid(1)
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cell = cell + 1_pInt
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call thermal_conduction_getSourceAndItsTangent(Tdot, dTdot_dT, temperature_current(i,j,k), 1, cell)
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scalarField_real(i,j,k) = params%timeinc*scalarField_real(i,j,k) + &
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params%timeinc*Tdot + &
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thermal_conduction_getMassDensity (1,cell)* &
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thermal_conduction_getSpecificHeat(1,cell)*(temperature_lastInc(i,j,k) - &
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temperature_current(i,j,k)) + &
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mobility_ref*temperature_current(i,j,k)
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enddo; enddo; enddo
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!--------------------------------------------------------------------------------------------------
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! convolution of damage field with green operator
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call utilities_FFTscalarForward()
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call utilities_fourierGreenConvolution(D_ref, mobility_ref, params%timeinc)
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call utilities_FFTscalarBackward()
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!--------------------------------------------------------------------------------------------------
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! constructing residual
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f_scal = temperature_current - scalarField_real(1:grid(1),1:grid(2),1:grid3)
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end subroutine spectral_thermal_formResidual
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!--------------------------------------------------------------------------------------------------
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!> @brief forwarding routine
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!--------------------------------------------------------------------------------------------------
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subroutine spectral_thermal_forward(guess,timeinc,timeinc_old,loadCaseTime)
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use mesh, only: &
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grid, &
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grid3
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use spectral_utilities, only: &
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cutBack, &
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wgt
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use thermal_conduction, only: &
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thermal_conduction_putTemperatureAndItsRate, &
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thermal_conduction_getConductivity33, &
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thermal_conduction_getMassDensity, &
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thermal_conduction_getSpecificHeat
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implicit none
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real(pReal), intent(in) :: &
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timeinc_old, &
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timeinc, &
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loadCaseTime !< remaining time of current load case
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logical, intent(in) :: guess
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integer(pInt) :: i, j, k, cell
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DM :: dm_local
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PetscScalar, dimension(:,:,:), pointer :: x_scal
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PetscErrorCode :: ierr
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external :: &
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SNESGetDM
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if (cutBack) then
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temperature_current = temperature_lastInc
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temperature_stagInc = temperature_lastInc
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!--------------------------------------------------------------------------------------------------
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! reverting thermal field state
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cell = 0_pInt !< material point = 0
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call SNESGetDM(thermal_snes,dm_local,ierr); CHKERRQ(ierr)
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call DMDAVecGetArrayF90(dm_local,solution,x_scal,ierr); CHKERRQ(ierr) !< get the data out of PETSc to work with
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x_scal(xstart:xend,ystart:yend,zstart:zend) = temperature_current
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call DMDAVecRestoreArrayF90(dm_local,solution,x_scal,ierr); CHKERRQ(ierr)
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do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt,grid(1)
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cell = cell + 1_pInt !< material point increase
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call thermal_conduction_putTemperatureAndItsRate(temperature_current(i,j,k), &
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(temperature_current(i,j,k) - &
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temperature_lastInc(i,j,k))/params%timeinc, &
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1,cell)
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enddo; enddo; enddo
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else
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!--------------------------------------------------------------------------------------------------
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! update rate and forward last inc
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temperature_lastInc = temperature_current
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cell = 0_pInt
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D_ref = 0.0_pReal
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mobility_ref = 0.0_pReal
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do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt,grid(1)
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cell = cell + 1_pInt
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D_ref = D_ref + thermal_conduction_getConductivity33(1,cell)
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mobility_ref = mobility_ref + thermal_conduction_getMassDensity(1,cell)* &
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thermal_conduction_getSpecificHeat(1,cell)
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enddo; enddo; enddo
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D_ref = D_ref*wgt
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call MPI_Allreduce(MPI_IN_PLACE,D_ref,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
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mobility_ref = mobility_ref*wgt
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call MPI_Allreduce(MPI_IN_PLACE,mobility_ref,1,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
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endif
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end subroutine spectral_thermal_forward
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!--------------------------------------------------------------------------------------------------
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!> @brief destroy routine
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!--------------------------------------------------------------------------------------------------
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subroutine spectral_thermal_destroy()
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implicit none
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PetscErrorCode :: ierr
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external :: &
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VecDestroy, &
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SNESDestroy
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call VecDestroy(solution,ierr); CHKERRQ(ierr)
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call SNESDestroy(thermal_snes,ierr); CHKERRQ(ierr)
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end subroutine spectral_thermal_destroy
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end module spectral_thermal
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