641 lines
30 KiB
Fortran
641 lines
30 KiB
Fortran
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!--------------------------------------------------------------------------------------------------
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!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief Grid solver for mechanics: Spectral Polarisation
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!--------------------------------------------------------------------------------------------------
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module grid_mech_spectral_polarisation
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#include <petsc/finclude/petscsnes.h>
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#include <petsc/finclude/petscdmda.h>
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use DAMASK_interface
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use HDF5_utilities
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use PETScdmda
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use PETScsnes
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use prec, only: &
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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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implicit none
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private
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!--------------------------------------------------------------------------------------------------
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! derived types
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type(tSolutionParams), private :: params
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type, private :: tNumerics
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logical :: update_gamma !< update gamma operator with current stiffness
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end type tNumerics
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type(tNumerics) :: num ! numerics parameters. Better name?
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!--------------------------------------------------------------------------------------------------
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! PETSc data
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DM, private :: da
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SNES, private :: snes
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Vec, private :: solution_vec
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!--------------------------------------------------------------------------------------------------
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! common pointwise data
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real(pReal), private, dimension(:,:,:,:,:), allocatable :: &
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F_lastInc, & !< field of previous compatible deformation gradients
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F_tau_lastInc, & !< field of previous incompatible deformation gradient
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Fdot, & !< field of assumed rate of compatible deformation gradient
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F_tauDot !< field of assumed rate of incopatible deformation gradient
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!--------------------------------------------------------------------------------------------------
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! stress, stiffness and compliance average etc.
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real(pReal), private, dimension(3,3) :: &
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F_aimDot = 0.0_pReal, & !< assumed rate of average deformation gradient
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F_aim = math_I3, & !< current prescribed deformation gradient
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F_aim_lastInc = math_I3, & !< previous average deformation gradient
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F_av = 0.0_pReal, & !< average incompatible def grad field
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P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress
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character(len=1024), private :: incInfo !< time and increment information
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real(pReal), private, dimension(3,3,3,3) :: &
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C_volAvg = 0.0_pReal, & !< current volume average stiffness
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C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
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C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
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C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness
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S = 0.0_pReal, & !< current compliance (filled up with zeros)
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C_scale = 0.0_pReal, &
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S_scale = 0.0_pReal
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real(pReal), private :: &
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err_BC, & !< deviation from stress BC
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err_curl, & !< RMS of curl of F
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err_div !< RMS of div of P
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integer, private :: &
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totalIter = 0 !< total iteration in current increment
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public :: &
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grid_mech_spectral_polarisation_init, &
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grid_mech_spectral_polarisation_solution, &
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grid_mech_spectral_polarisation_forward
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private :: &
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converged, &
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formResidual
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contains
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!--------------------------------------------------------------------------------------------------
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!> @brief allocates all necessary fields and fills them with data, potentially from restart info
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!--------------------------------------------------------------------------------------------------
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subroutine grid_mech_spectral_polarisation_init
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use IO, only: &
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IO_intOut, &
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IO_error, &
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IO_open_jobFile_binary
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use FEsolving, only: &
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restartInc
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use config, only :&
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config_numerics
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use numerics, only: &
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worldrank, &
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worldsize, &
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petsc_options
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use homogenization, only: &
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materialpoint_F0
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use DAMASK_interface, only: &
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getSolverJobName
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use spectral_utilities, only: &
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utilities_constitutiveResponse, &
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utilities_updateGamma, &
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utilities_updateIPcoords
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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_invSym3333
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real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: P
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real(pReal), dimension(3,3) :: &
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temp33_Real = 0.0_pReal
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PetscErrorCode :: ierr
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PetscScalar, pointer, dimension(:,:,:,:) :: &
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FandF_tau, & ! overall pointer to solution data
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F, & ! specific (sub)pointer
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F_tau ! specific (sub)pointer
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PetscInt, dimension(worldsize) :: localK
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integer(HID_T) :: fileHandle
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integer :: fileUnit
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character(len=1024) :: rankStr
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write(6,'(/,a)') ' <<<+- grid_mech_spectral_polarisation init -+>>>'
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write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
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write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
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num%update_gamma = config_numerics%getInt('update_gamma',defaultVal=0) > 0
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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,'-mech_snes_type ngmres',ierr)
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CHKERRQ(ierr)
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call PETScOptionsInsertString(PETSC_NULL_OPTIONS,trim(petsc_options),ierr)
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CHKERRQ(ierr)
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!--------------------------------------------------------------------------------------------------
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! allocate global fields
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allocate(F_lastInc (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
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allocate(Fdot (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
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allocate(F_tau_lastInc(3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
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allocate(F_tauDot (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
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!--------------------------------------------------------------------------------------------------
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! initialize solver specific parts of PETSc
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call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
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call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr)
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localK = 0
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localK(worldrank+1) = grid3
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call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
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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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18, 0, & ! #dof (F tensor), ghost boundary width (domain overlap)
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[grid(1)],[grid(2)],localK, & ! local grid
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da,ierr) ! handle, error
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CHKERRQ(ierr)
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call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) ! connect snes to da
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call DMsetFromOptions(da,ierr); CHKERRQ(ierr)
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call DMsetUp(da,ierr); CHKERRQ(ierr)
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call DMcreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 18, i.e. every def grad tensor)
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call DMDASNESsetFunctionLocal(da,INSERT_VALUES,formResidual,PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector
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CHKERRQ(ierr)
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call SNESsetConvergenceTest(snes,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "converged"
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CHKERRQ(ierr)
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call SNESsetFromOptions(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 DMDAVecGetArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) ! places pointer on PETSc data
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F => FandF_tau( 0: 8,:,:,:)
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F_tau => FandF_tau( 9:17,:,:,:)
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restart: if (restartInc > 0) then
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write(6,'(/,a,'//IO_intOut(restartInc)//',a)') ' reading values of increment ', restartInc, ' from file'
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write(rankStr,'(a1,i0)')'_',worldrank
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fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5')
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call HDF5_read(fileHandle,F_aim, 'F_aim')
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call HDF5_read(fileHandle,F_aim_lastInc,'F_aim_lastInc')
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call HDF5_read(fileHandle,F_aimDot, 'F_aimDot')
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call HDF5_read(fileHandle,F, 'F')
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call HDF5_read(fileHandle,F_lastInc, 'F_lastInc')
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call HDF5_read(fileHandle,F_tau, 'F_tau')
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call HDF5_read(fileHandle,F_tau_lastInc,'F_tau_lastInc')
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elseif (restartInc == 0) then restart
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F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
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F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
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F_tau = 2.0_pReal*F
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F_tau_lastInc = 2.0_pReal*F_lastInc
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endif restart
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materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
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call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
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call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
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reshape(F,shape(F_lastInc)), & ! target F
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0.0_pReal, & ! time increment
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math_I3) ! no rotation of boundary condition
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call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) ! deassociate pointer
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restartRead: if (restartInc > 0) then
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write(6,'(/,a,'//IO_intOut(restartInc)//',a)') ' reading more values of increment ', restartInc, ' from file'
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call HDF5_read(fileHandle,C_volAvg, 'C_volAvg')
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call HDF5_read(fileHandle,C_volAvgLastInc,'C_volAvgLastInc')
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call HDF5_closeFile(fileHandle)
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fileUnit = IO_open_jobFile_binary('C_ref')
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read(fileUnit) C_minMaxAvg; close(fileUnit)
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endif restartRead
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call utilities_updateGamma(C_minMaxAvg,.true.)
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C_scale = C_minMaxAvg
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S_scale = math_invSym3333(C_minMaxAvg)
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end subroutine grid_mech_spectral_polarisation_init
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!--------------------------------------------------------------------------------------------------
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!> @brief solution for the Polarisation scheme with internal iterations
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!--------------------------------------------------------------------------------------------------
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function grid_mech_spectral_polarisation_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC) result(solution)
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use math, only: &
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math_invSym3333
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use spectral_utilities, only: &
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tBoundaryCondition, &
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utilities_maskedCompliance, &
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utilities_updateGamma
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use FEsolving, only: &
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restartWrite, &
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terminallyIll
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!--------------------------------------------------------------------------------------------------
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! input data for solution
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character(len=*), intent(in) :: &
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incInfoIn
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real(pReal), intent(in) :: &
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timeinc, & !< time increment of current solution
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timeinc_old !< time increment of last successful increment
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type(tBoundaryCondition), intent(in) :: &
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stress_BC
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real(pReal), dimension(3,3), intent(in) :: rotation_BC
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type(tSolutionState) :: &
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solution
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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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incInfo = incInfoIn
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!--------------------------------------------------------------------------------------------------
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! update stiffness (and gamma operator)
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S = utilities_maskedCompliance(rotation_BC,stress_BC%maskLogical,C_volAvg)
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if (num%update_gamma) then
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call utilities_updateGamma(C_minMaxAvg,restartWrite)
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C_scale = C_minMaxAvg
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S_scale = math_invSym3333(C_minMaxAvg)
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endif
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!--------------------------------------------------------------------------------------------------
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! set module wide available data
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params%stress_mask = stress_BC%maskFloat
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params%stress_BC = stress_BC%values
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params%rotation_BC = rotation_BC
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params%timeinc = timeinc
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params%timeincOld = timeinc_old
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!--------------------------------------------------------------------------------------------------
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! solve BVP
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call SNESsolve(snes,PETSC_NULL_VEC,solution_vec,ierr); CHKERRQ(ierr)
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!--------------------------------------------------------------------------------------------------
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! check convergence
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call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
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solution%converged = reason > 0
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solution%iterationsNeeded = totalIter
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solution%termIll = terminallyIll
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terminallyIll = .false.
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end function grid_mech_spectral_polarisation_solution
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!--------------------------------------------------------------------------------------------------
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!> @brief forwarding routine
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!> @details find new boundary conditions and best F estimate for end of current timestep
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!> possibly writing restart information, triggering of state increment in DAMASK, and updating of IPcoordinates
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!--------------------------------------------------------------------------------------------------
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subroutine grid_mech_spectral_polarisation_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
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use math, only: &
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math_mul3333xx33, &
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math_rotate_backward33
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use numerics, only: &
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worldrank
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use homogenization, only: &
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materialpoint_F0
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use mesh, only: &
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grid, &
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grid3
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use CPFEM2, only: &
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CPFEM_age
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use spectral_utilities, only: &
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utilities_calculateRate, &
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utilities_forwardField, &
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utilities_updateIPcoords, &
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tBoundaryCondition, &
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cutBack
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use IO, only: &
|
|||
|
|
IO_open_jobFile_binary
|
|||
|
|
use FEsolving, only: &
|
|||
|
|
restartWrite
|
|||
|
|
|
|||
|
|
logical, intent(in) :: &
|
|||
|
|
guess
|
|||
|
|
real(pReal), intent(in) :: &
|
|||
|
|
timeinc_old, &
|
|||
|
|
timeinc, &
|
|||
|
|
loadCaseTime !< remaining time of current load case
|
|||
|
|
type(tBoundaryCondition), intent(in) :: &
|
|||
|
|
stress_BC, &
|
|||
|
|
deformation_BC
|
|||
|
|
real(pReal), dimension(3,3), intent(in) ::&
|
|||
|
|
rotation_BC
|
|||
|
|
PetscErrorCode :: ierr
|
|||
|
|
PetscScalar, dimension(:,:,:,:), pointer :: FandF_tau, F, F_tau
|
|||
|
|
integer :: i, j, k
|
|||
|
|
real(pReal), dimension(3,3) :: F_lambda33
|
|||
|
|
|
|||
|
|
integer(HID_T) :: fileHandle
|
|||
|
|
character(len=32) :: rankStr
|
|||
|
|
|
|||
|
|
call DMDAVecGetArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr)
|
|||
|
|
F => FandF_tau( 0: 8,:,:,:)
|
|||
|
|
F_tau => FandF_tau( 9:17,:,:,:)
|
|||
|
|
|
|||
|
|
if (cutBack) then
|
|||
|
|
C_volAvg = C_volAvgLastInc ! QUESTION: where is this required?
|
|||
|
|
C_minMaxAvg = C_minMaxAvgLastInc ! QUESTION: where is this required?
|
|||
|
|
else
|
|||
|
|
!--------------------------------------------------------------------------------------------------
|
|||
|
|
! restart information for spectral solver
|
|||
|
|
if (restartWrite) then
|
|||
|
|
write(6,'(/,a)') ' writing converged results for restart';flush(6)
|
|||
|
|
|
|||
|
|
write(rankStr,'(a1,i0)')'_',worldrank
|
|||
|
|
fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5','w')
|
|||
|
|
|
|||
|
|
call HDF5_write(fileHandle,F_aim, 'F_aim')
|
|||
|
|
call HDF5_write(fileHandle,F_aim_lastInc, 'F_aim_lastInc')
|
|||
|
|
call HDF5_write(fileHandle,F_aimDot, 'F_aimDot')
|
|||
|
|
call HDF5_write(fileHandle,F, 'F')
|
|||
|
|
call HDF5_write(fileHandle,F_lastInc, 'F_lastInc')
|
|||
|
|
call HDF5_write(fileHandle,F_tau, 'F_tau')
|
|||
|
|
call HDF5_write(fileHandle,F_tau_lastInc, 'F_tau_lastInc')
|
|||
|
|
|
|||
|
|
call HDF5_write(fileHandle,C_volAvg, 'C_volAvg')
|
|||
|
|
call HDF5_write(fileHandle,C_volAvgLastInc,'C_volAvgLastInc')
|
|||
|
|
|
|||
|
|
call HDF5_closeFile(fileHandle)
|
|||
|
|
endif
|
|||
|
|
|
|||
|
|
call CPFEM_age ! age state and kinematics
|
|||
|
|
call utilities_updateIPcoords(F)
|
|||
|
|
|
|||
|
|
C_volAvgLastInc = C_volAvg
|
|||
|
|
C_minMaxAvgLastInc = C_minMaxAvg
|
|||
|
|
|
|||
|
|
F_aimDot = merge(stress_BC%maskFloat*(F_aim-F_aim_lastInc)/timeinc_old, 0.0_pReal, guess)
|
|||
|
|
F_aim_lastInc = F_aim
|
|||
|
|
|
|||
|
|
!--------------------------------------------------------------------------------------------------
|
|||
|
|
! calculate rate for aim
|
|||
|
|
if (deformation_BC%myType=='l') then ! calculate F_aimDot from given L and current F
|
|||
|
|
F_aimDot = &
|
|||
|
|
F_aimDot + deformation_BC%maskFloat * matmul(deformation_BC%values, F_aim_lastInc)
|
|||
|
|
elseif(deformation_BC%myType=='fdot') then ! F_aimDot is prescribed
|
|||
|
|
F_aimDot = &
|
|||
|
|
F_aimDot + deformation_BC%maskFloat * deformation_BC%values
|
|||
|
|
elseif (deformation_BC%myType=='f') then ! aim at end of load case is prescribed
|
|||
|
|
F_aimDot = &
|
|||
|
|
F_aimDot + deformation_BC%maskFloat * (deformation_BC%values - F_aim_lastInc)/loadCaseTime
|
|||
|
|
endif
|
|||
|
|
|
|||
|
|
|
|||
|
|
Fdot = utilities_calculateRate(guess, &
|
|||
|
|
F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]),timeinc_old, &
|
|||
|
|
math_rotate_backward33(F_aimDot,rotation_BC))
|
|||
|
|
F_tauDot = utilities_calculateRate(guess, &
|
|||
|
|
F_tau_lastInc,reshape(F_tau,[3,3,grid(1),grid(2),grid3]), timeinc_old, &
|
|||
|
|
math_rotate_backward33(F_aimDot,rotation_BC))
|
|||
|
|
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3]) ! winding F forward
|
|||
|
|
F_tau_lastInc = reshape(F_tau, [3,3,grid(1),grid(2),grid3]) ! winding F_tau forward
|
|||
|
|
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
|
|||
|
|
endif
|
|||
|
|
|
|||
|
|
!--------------------------------------------------------------------------------------------------
|
|||
|
|
! update average and local deformation gradients
|
|||
|
|
F_aim = F_aim_lastInc + F_aimDot * timeinc
|
|||
|
|
F = reshape(utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average
|
|||
|
|
math_rotate_backward33(F_aim,rotation_BC)),&
|
|||
|
|
[9,grid(1),grid(2),grid3])
|
|||
|
|
if (guess) then
|
|||
|
|
F_tau = reshape(Utilities_forwardField(timeinc,F_tau_lastInc,F_taudot), &
|
|||
|
|
[9,grid(1),grid(2),grid3]) ! does not have any average value as boundary condition
|
|||
|
|
else
|
|||
|
|
do k = 1, grid3; do j = 1, grid(2); do i = 1, grid(1)
|
|||
|
|
F_lambda33 = reshape(F_tau(1:9,i,j,k)-F(1:9,i,j,k),[3,3])
|
|||
|
|
F_lambda33 = math_mul3333xx33(S_scale,matmul(F_lambda33, &
|
|||
|
|
math_mul3333xx33(C_scale,&
|
|||
|
|
matmul(transpose(F_lambda33),&
|
|||
|
|
F_lambda33)-math_I3))*0.5_pReal)&
|
|||
|
|
+ math_I3
|
|||
|
|
F_tau(1:9,i,j,k) = reshape(F_lambda33,[9])+F(1:9,i,j,k)
|
|||
|
|
enddo; enddo; enddo
|
|||
|
|
endif
|
|||
|
|
|
|||
|
|
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr)
|
|||
|
|
|
|||
|
|
end subroutine grid_mech_spectral_polarisation_forward
|
|||
|
|
|
|||
|
|
|
|||
|
|
!--------------------------------------------------------------------------------------------------
|
|||
|
|
!> @brief convergence check
|
|||
|
|
!--------------------------------------------------------------------------------------------------
|
|||
|
|
subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dummy,ierr)
|
|||
|
|
use numerics, only: &
|
|||
|
|
itmax, &
|
|||
|
|
itmin, &
|
|||
|
|
err_div_tolRel, &
|
|||
|
|
err_div_tolAbs, &
|
|||
|
|
err_curl_tolRel, &
|
|||
|
|
err_curl_tolAbs, &
|
|||
|
|
err_stress_tolRel, &
|
|||
|
|
err_stress_tolAbs
|
|||
|
|
use FEsolving, only: &
|
|||
|
|
terminallyIll
|
|||
|
|
|
|||
|
|
SNES :: snes_local
|
|||
|
|
PetscInt, intent(in) :: PETScIter
|
|||
|
|
PetscReal, intent(in) :: &
|
|||
|
|
devNull1, &
|
|||
|
|
devNull2, &
|
|||
|
|
devNull3
|
|||
|
|
SNESConvergedReason :: reason
|
|||
|
|
PetscObject :: dummy
|
|||
|
|
PetscErrorCode :: ierr
|
|||
|
|
real(pReal) :: &
|
|||
|
|
curlTol, &
|
|||
|
|
divTol, &
|
|||
|
|
BCTol
|
|||
|
|
|
|||
|
|
curlTol = max(maxval(abs(F_aim-math_I3))*err_curl_tolRel ,err_curl_tolAbs)
|
|||
|
|
divTol = max(maxval(abs(P_av)) *err_div_tolRel ,err_div_tolAbs)
|
|||
|
|
BCTol = max(maxval(abs(P_av)) *err_stress_tolRel,err_stress_tolAbs)
|
|||
|
|
|
|||
|
|
if ((totalIter >= itmin .and. &
|
|||
|
|
all([ err_div /divTol, &
|
|||
|
|
err_curl/curlTol, &
|
|||
|
|
err_BC /BCTol ] < 1.0_pReal)) &
|
|||
|
|
.or. terminallyIll) then
|
|||
|
|
reason = 1
|
|||
|
|
elseif (totalIter >= itmax) then
|
|||
|
|
reason = -1
|
|||
|
|
else
|
|||
|
|
reason = 0
|
|||
|
|
endif
|
|||
|
|
|
|||
|
|
!--------------------------------------------------------------------------------------------------
|
|||
|
|
! report
|
|||
|
|
write(6,'(1/,a)') ' ... reporting .............................................................'
|
|||
|
|
write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
|||
|
|
err_div/divTol, ' (',err_div, ' / m, tol = ',divTol,')'
|
|||
|
|
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', &
|
|||
|
|
err_curl/curlTol,' (',err_curl,' -, tol = ',curlTol,')'
|
|||
|
|
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', &
|
|||
|
|
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
|
|||
|
|
write(6,'(/,a)') ' ==========================================================================='
|
|||
|
|
flush(6)
|
|||
|
|
|
|||
|
|
end subroutine converged
|
|||
|
|
|
|||
|
|
|
|||
|
|
!--------------------------------------------------------------------------------------------------
|
|||
|
|
!> @brief forms the residual vector
|
|||
|
|
!--------------------------------------------------------------------------------------------------
|
|||
|
|
subroutine formResidual(in, FandF_tau, &
|
|||
|
|
residuum, dummy,ierr)
|
|||
|
|
use numerics, only: &
|
|||
|
|
itmax, &
|
|||
|
|
itmin, &
|
|||
|
|
polarAlpha, &
|
|||
|
|
polarBeta
|
|||
|
|
use mesh, only: &
|
|||
|
|
grid, &
|
|||
|
|
grid3
|
|||
|
|
use math, only: &
|
|||
|
|
math_rotate_forward33, &
|
|||
|
|
math_rotate_backward33, &
|
|||
|
|
math_mul3333xx33, &
|
|||
|
|
math_invSym3333
|
|||
|
|
use debug, only: &
|
|||
|
|
debug_level, &
|
|||
|
|
debug_spectral, &
|
|||
|
|
debug_spectralRotation
|
|||
|
|
use spectral_utilities, only: &
|
|||
|
|
wgt, &
|
|||
|
|
tensorField_real, &
|
|||
|
|
utilities_FFTtensorForward, &
|
|||
|
|
utilities_fourierGammaConvolution, &
|
|||
|
|
utilities_FFTtensorBackward, &
|
|||
|
|
utilities_constitutiveResponse, &
|
|||
|
|
utilities_divergenceRMS, &
|
|||
|
|
utilities_curlRMS
|
|||
|
|
use IO, only: &
|
|||
|
|
IO_intOut
|
|||
|
|
use homogenization, only: &
|
|||
|
|
materialpoint_dPdF
|
|||
|
|
use FEsolving, only: &
|
|||
|
|
terminallyIll
|
|||
|
|
|
|||
|
|
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in !< DMDA info (needs to be named "in" for macros like XRANGE to work)
|
|||
|
|
PetscScalar, dimension(3,3,2,XG_RANGE,YG_RANGE,ZG_RANGE), &
|
|||
|
|
target, intent(in) :: FandF_tau
|
|||
|
|
PetscScalar, dimension(3,3,2,X_RANGE,Y_RANGE,Z_RANGE),&
|
|||
|
|
target, intent(out) :: residuum !< residuum field
|
|||
|
|
PetscScalar, pointer, dimension(:,:,:,:,:) :: &
|
|||
|
|
F, &
|
|||
|
|
F_tau, &
|
|||
|
|
residual_F, &
|
|||
|
|
residual_F_tau
|
|||
|
|
PetscInt :: &
|
|||
|
|
PETScIter, &
|
|||
|
|
nfuncs
|
|||
|
|
PetscObject :: dummy
|
|||
|
|
PetscErrorCode :: ierr
|
|||
|
|
integer :: &
|
|||
|
|
i, j, k, e
|
|||
|
|
|
|||
|
|
F => FandF_tau(1:3,1:3,1,&
|
|||
|
|
XG_RANGE,YG_RANGE,ZG_RANGE)
|
|||
|
|
F_tau => FandF_tau(1:3,1:3,2,&
|
|||
|
|
XG_RANGE,YG_RANGE,ZG_RANGE)
|
|||
|
|
residual_F => residuum(1:3,1:3,1,&
|
|||
|
|
X_RANGE, Y_RANGE, Z_RANGE)
|
|||
|
|
residual_F_tau => residuum(1:3,1:3,2,&
|
|||
|
|
X_RANGE, Y_RANGE, Z_RANGE)
|
|||
|
|
|
|||
|
|
F_av = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt
|
|||
|
|
call MPI_Allreduce(MPI_IN_PLACE,F_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
|||
|
|
|
|||
|
|
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
|||
|
|
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
|||
|
|
|
|||
|
|
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1 ! new increment
|
|||
|
|
!--------------------------------------------------------------------------------------------------
|
|||
|
|
! begin of new iteration
|
|||
|
|
newIteration: if (totalIter <= PETScIter) then
|
|||
|
|
totalIter = totalIter + 1
|
|||
|
|
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') &
|
|||
|
|
trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
|||
|
|
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
|||
|
|
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
|||
|
|
' deformation gradient aim (lab) =', transpose(math_rotate_backward33(F_aim,params%rotation_BC))
|
|||
|
|
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
|||
|
|
' deformation gradient aim =', transpose(F_aim)
|
|||
|
|
flush(6)
|
|||
|
|
endif newIteration
|
|||
|
|
|
|||
|
|
!--------------------------------------------------------------------------------------------------
|
|||
|
|
!
|
|||
|
|
tensorField_real = 0.0_pReal
|
|||
|
|
do k = 1, grid3; do j = 1, grid(2); do i = 1, grid(1)
|
|||
|
|
tensorField_real(1:3,1:3,i,j,k) = &
|
|||
|
|
polarBeta*math_mul3333xx33(C_scale,F(1:3,1:3,i,j,k) - math_I3) -&
|
|||
|
|
polarAlpha*matmul(F(1:3,1:3,i,j,k), &
|
|||
|
|
math_mul3333xx33(C_scale,F_tau(1:3,1:3,i,j,k) - F(1:3,1:3,i,j,k) - math_I3))
|
|||
|
|
enddo; enddo; enddo
|
|||
|
|
|
|||
|
|
!--------------------------------------------------------------------------------------------------
|
|||
|
|
! doing convolution in Fourier space
|
|||
|
|
call utilities_FFTtensorForward
|
|||
|
|
call utilities_fourierGammaConvolution(math_rotate_backward33(polarBeta*F_aim,params%rotation_BC))
|
|||
|
|
call utilities_FFTtensorBackward
|
|||
|
|
|
|||
|
|
!--------------------------------------------------------------------------------------------------
|
|||
|
|
! constructing residual
|
|||
|
|
residual_F_tau = polarBeta*F - tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3)
|
|||
|
|
|
|||
|
|
!--------------------------------------------------------------------------------------------------
|
|||
|
|
! evaluate constitutive response
|
|||
|
|
call utilities_constitutiveResponse(residual_F, & ! "residuum" gets field of first PK stress (to save memory)
|
|||
|
|
P_av,C_volAvg,C_minMaxAvg, &
|
|||
|
|
F - residual_F_tau/polarBeta,params%timeinc,params%rotation_BC)
|
|||
|
|
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
|
|||
|
|
|
|||
|
|
!--------------------------------------------------------------------------------------------------
|
|||
|
|
! stress BC handling
|
|||
|
|
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc
|
|||
|
|
err_BC = maxval(abs((1.0_pReal-params%stress_mask) * math_mul3333xx33(C_scale,F_aim &
|
|||
|
|
-math_rotate_forward33(F_av,params%rotation_BC)) + &
|
|||
|
|
params%stress_mask * (P_av-params%stress_BC))) ! mask = 0.0 for no bc
|
|||
|
|
! calculate divergence
|
|||
|
|
tensorField_real = 0.0_pReal
|
|||
|
|
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residual_F !< stress field in disguise
|
|||
|
|
call utilities_FFTtensorForward
|
|||
|
|
err_div = Utilities_divergenceRMS() !< root mean squared error in divergence of stress
|
|||
|
|
|
|||
|
|
!--------------------------------------------------------------------------------------------------
|
|||
|
|
! constructing residual
|
|||
|
|
e = 0
|
|||
|
|
do k = 1, grid3; do j = 1, grid(2); do i = 1, grid(1)
|
|||
|
|
e = e + 1
|
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|
|
residual_F(1:3,1:3,i,j,k) = &
|
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|
|
math_mul3333xx33(math_invSym3333(materialpoint_dPdF(1:3,1:3,1:3,1:3,1,e) + C_scale), &
|
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|
|
residual_F(1:3,1:3,i,j,k) - matmul(F(1:3,1:3,i,j,k), &
|
|||
|
|
math_mul3333xx33(C_scale,F_tau(1:3,1:3,i,j,k) - F(1:3,1:3,i,j,k) - math_I3))) &
|
|||
|
|
+ residual_F_tau(1:3,1:3,i,j,k)
|
|||
|
|
enddo; enddo; enddo
|
|||
|
|
|
|||
|
|
!--------------------------------------------------------------------------------------------------
|
|||
|
|
! calculating curl
|
|||
|
|
tensorField_real = 0.0_pReal
|
|||
|
|
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = F
|
|||
|
|
call utilities_FFTtensorForward
|
|||
|
|
err_curl = Utilities_curlRMS()
|
|||
|
|
|
|||
|
|
end subroutine formResidual
|
|||
|
|
|
|||
|
|
end module grid_mech_spectral_polarisation
|