using new names
This commit is contained in:
Martin Diehl
parent
c57bfd34e9
commit
2353545779
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@ -71,7 +71,7 @@ program DAMASK_spectral
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FIELD_MECH_ID, &
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FIELD_THERMAL_ID, &
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FIELD_DAMAGE_ID
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use spectral_mech_Basic
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use grid_mech_spectral_basic
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use spectral_mech_Polarisation
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use grid_damage_spectral
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use grid_thermal_spectral
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@ -135,11 +135,11 @@ program DAMASK_spectral
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integer(pInt), parameter :: maxRealOut = maxByteOut/pReal
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integer(pLongInt), dimension(2) :: outputIndex
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PetscErrorCode :: ierr
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procedure(basic_init), pointer :: &
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procedure(grid_mech_spectral_basic_init), pointer :: &
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mech_init
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procedure(basic_forward), pointer :: &
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procedure(grid_mech_spectral_basic_forward), pointer :: &
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mech_forward
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procedure(basic_solution), pointer :: &
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procedure(grid_mech_spectral_basic_solution), pointer :: &
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mech_solution
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external :: &
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@ -166,10 +166,10 @@ program DAMASK_spectral
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!--------------------------------------------------------------------------------------------------
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! assign mechanics solver depending on selected type
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select case (spectral_solver)
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case (DAMASK_spectral_SolverBasic_label)
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mech_init => basic_init
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mech_forward => basic_forward
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mech_solution => basic_solution
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case (GRID_MECH_SPECTRAL_BASIC_LABEL)
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mech_init => grid_mech_spectral_basic_init
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mech_forward => grid_mech_spectral_basic_forward
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mech_solution => grid_mech_spectral_basic_solution
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case (DAMASK_spectral_SolverPolarisation_label)
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if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) &
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@ -2,14 +2,14 @@
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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 Basic scheme solver
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!> @brief Grid solver for mechanics: Spectral basic
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!--------------------------------------------------------------------------------------------------
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module spectral_mech_basic
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module grid_mech_spectral_basic
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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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use prec, only: &
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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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@ -22,7 +22,7 @@ module spectral_mech_basic
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private
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character (len=*), parameter, public :: &
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DAMASK_spectral_SolverBasic_label = 'basic'
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GRID_MECH_SPECTRAL_BASIC_LABEL = 'spectral_basic'
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!--------------------------------------------------------------------------------------------------
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! derived types
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@ -63,16 +63,16 @@ module spectral_mech_basic
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totalIter = 0_pInt !< total iteration in current increment
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public :: &
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basic_init, &
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basic_solution, &
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basic_forward
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grid_mech_spectral_basic_init, &
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grid_mech_spectral_basic_solution, &
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grid_mech_spectral_basic_forward
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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 basic_init
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subroutine grid_mech_spectral_basic_init
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use IO, only: &
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IO_intOut, &
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IO_error, &
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@ -85,15 +85,16 @@ subroutine basic_init
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restartInc
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use numerics, only: &
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worldrank, &
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worldsize
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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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utilities_constitutiveResponse, &
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utilities_updateGamma, &
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utilities_updateIPcoords, &
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wgt
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use mesh, only: &
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grid, &
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@ -111,8 +112,8 @@ subroutine basic_init
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PetscInt, dimension(worldsize) :: localK
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integer :: fileUnit
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character(len=1024) :: rankStr
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write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverBasic init -+>>>'
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write(6,'(/,a)') ' <<<+- grid_mech_spectral_basic init -+>>>'
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write(6,'(/,a)') ' Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
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write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2012.09.012'
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@ -120,6 +121,13 @@ subroutine basic_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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!--------------------------------------------------------------------------------------------------
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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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@ -145,9 +153,9 @@ subroutine basic_init
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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 9, i.e. every def grad tensor)
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call DMDASNESsetFunctionLocal(da,INSERT_VALUES,Basic_formResidual,PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector
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call DMDASNESsetFunctionLocal(da,INSERT_VALUES,grid_mech_spectral_basic_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,Basic_converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
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call SNESsetConvergenceTest(snes,grid_mech_spectral_basic_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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@ -192,8 +200,8 @@ subroutine basic_init
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call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! write data back to PETSc
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! QUESTION: why not writing back right after reading (l.189)?
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restartRead: if (restartInc > 0_pInt) then ! QUESTION: are those values not calc'ed by constitutiveResponse? why reading from file?
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if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0 .and. worldrank == 0_pInt) &
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restartRead: if (restartInc > 0_pInt) then
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if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0) &
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write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
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'reading more values of increment ', restartInc, ' from file'
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flush(6)
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@ -207,20 +215,19 @@ subroutine basic_init
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call Utilities_updateGamma(C_minMaxAvg,.true.)
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end subroutine basic_init
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end subroutine grid_mech_spectral_basic_init
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!--------------------------------------------------------------------------------------------------
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!> @brief solution for the Basic scheme with internal iterations
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!--------------------------------------------------------------------------------------------------
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type(tSolutionState) function basic_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC)
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use IO, only: &
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IO_error
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function grid_mech_spectral_basic_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC) result(solution)
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use numerics, only: &
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update_gamma
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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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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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@ -232,15 +239,17 @@ type(tSolutionState) function basic_solution(incInfoIn,timeinc,timeinc_old,stres
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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, & !< increment time for current solution
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timeinc_old !< increment time of last successful increment
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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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PetscErrorCode :: ierr
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SNESConvergedReason :: reason
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incInfo = incInfoIn
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@ -250,9 +259,8 @@ type(tSolutionState) function basic_solution(incInfoIn,timeinc,timeinc_old,stres
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S = Utilities_maskedCompliance(rotation_BC,stress_BC%maskLogical,C_volAvg)
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if (update_gamma) call Utilities_updateGamma(C_minMaxAvg,restartWrite)
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!--------------------------------------------------------------------------------------------------
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! set module wide availabe data
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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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@ -267,19 +275,19 @@ type(tSolutionState) function basic_solution(incInfoIn,timeinc,timeinc_old,stres
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! check convergence
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call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
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basic_solution%converged = reason > 0
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basic_solution%iterationsNeeded = totalIter
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basic_solution%termIll = terminallyIll
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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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if (reason == -4) call IO_error(893_pInt) ! MPI error
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end function basic_solution
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end function grid_mech_spectral_basic_solution
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!--------------------------------------------------------------------------------------------------
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!> @brief forms the basic residual vector
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!--------------------------------------------------------------------------------------------------
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subroutine Basic_formResidual(in, & ! DMDA info (needs to be named "in" for XRANGE, etc. macros to work)
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subroutine grid_mech_spectral_basic_formResidual(in, & ! DMDA info (needs to be named "in" for XRANGE, etc. macros to work)
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F, & ! defgrad field on grid
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residuum, & ! residuum field on grid
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dummy, &
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@ -302,8 +310,8 @@ subroutine Basic_formResidual(in, &
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utilities_FFTtensorForward, &
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utilities_fourierGammaConvolution, &
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utilities_FFTtensorBackward, &
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Utilities_constitutiveResponse, &
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Utilities_divergenceRMS
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utilities_constitutiveResponse, &
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utilities_divergenceRMS
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use IO, only: &
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IO_intOut
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use FEsolving, only: &
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@ -315,13 +323,13 @@ subroutine Basic_formResidual(in, &
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dimension(3,3, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: F
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PetscScalar, &
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dimension(3,3, X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: residuum
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real(pReal), dimension(3,3) :: &
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deltaF_aim
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PetscInt :: &
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PETScIter, &
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nfuncs
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PetscObject :: dummy
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PetscErrorCode :: ierr
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real(pReal), dimension(3,3) :: &
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deltaF_aim
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call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
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call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
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@ -367,13 +375,13 @@ subroutine Basic_formResidual(in, &
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! constructing residual
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residuum = tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) ! Gamma*P gives correction towards div(P) = 0, so needs to be zero, too
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end subroutine Basic_formResidual
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end subroutine grid_mech_spectral_basic_formResidual
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!--------------------------------------------------------------------------------------------------
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!> @brief convergence check
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!--------------------------------------------------------------------------------------------------
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subroutine Basic_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
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subroutine grid_mech_spectral_basic_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
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use numerics, only: &
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itmax, &
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itmin, &
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@ -420,21 +428,21 @@ subroutine Basic_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,i
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write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
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err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
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write(6,'(/,a)') ' ==========================================================================='
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flush(6)
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flush(6)
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end subroutine Basic_converged
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end subroutine grid_mech_spectral_basic_converged
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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 Basic_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
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subroutine grid_mech_spectral_basic_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
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use math, only: &
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math_mul33x33 ,&
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math_rotate_backward33
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use numerics, only: &
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worldrank
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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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@ -443,9 +451,9 @@ subroutine Basic_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,s
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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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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: &
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@ -465,7 +473,7 @@ subroutine Basic_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,s
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deformation_BC
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real(pReal), dimension(3,3), intent(in) :: &
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rotation_BC
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PetscErrorCode :: ierr
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PetscErrorCode :: ierr
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PetscScalar, dimension(:,:,:,:), pointer :: F
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integer :: fileUnit
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@ -536,6 +544,6 @@ subroutine Basic_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,s
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math_rotate_backward33(F_aim,rotation_BC)),[9,grid(1),grid(2),grid3])
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call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
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end subroutine Basic_forward
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end subroutine grid_mech_spectral_basic_forward
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end module spectral_mech_basic
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end module grid_mech_spectral_basic
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