added Polarisation scheme as solver
This commit is contained in:
Martin Diehl
parent
4f7cd76b29
commit
216063fe36
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@ -82,6 +82,7 @@ program DAMASK_spectral_Driver
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#ifdef PETSc
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use DAMASK_spectral_SolverBasicPETSC
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use DAMASK_spectral_SolverAL
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use DAMASK_spectral_SolverPolarisation
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#endif
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implicit none
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@ -337,6 +338,10 @@ program DAMASK_spectral_Driver
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if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) &
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call IO_warning(42_pInt, ext_msg='debug Divergence')
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call AL_init(loadCases(1)%temperature)
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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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call IO_warning(42_pInt, ext_msg='debug Divergence')
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call Polarisation_init(loadCases(1)%temperature)
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#endif
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case default
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call IO_error(error_ID = 891, ext_msg = trim(myspectralsolver))
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@ -459,7 +464,6 @@ program DAMASK_spectral_Driver
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F_BC = loadCases(currentLoadCase)%deformation, &
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temperature_bc = loadCases(currentLoadCase)%temperature, &
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rotation_BC = loadCases(currentLoadCase)%rotation)
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case (DAMASK_spectral_SolverAL_label)
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solres = AL_solution (&
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incInfo,guess,timeinc,timeIncOld,remainingLoadCaseTime, &
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@ -467,6 +471,13 @@ program DAMASK_spectral_Driver
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F_BC = loadCases(currentLoadCase)%deformation, &
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temperature_bc = loadCases(currentLoadCase)%temperature, &
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rotation_BC = loadCases(currentLoadCase)%rotation)
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case (DAMASK_spectral_SolverPolarisation_label)
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solres = Polarisation_solution (&
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incInfo,guess,timeinc,timeIncOld,remainingLoadCaseTime, &
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P_BC = loadCases(currentLoadCase)%P, &
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F_BC = loadCases(currentLoadCase)%deformation, &
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temperature_bc = loadCases(currentLoadCase)%temperature, &
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rotation_BC = loadCases(currentLoadCase)%rotation)
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#endif
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end select
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@ -525,15 +536,15 @@ program DAMASK_spectral_Driver
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enddo loadCaseLooping
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select case (myspectralsolver)
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case (DAMASK_spectral_SolverBasic_label)
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call basic_destroy()
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#ifdef PETSc
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case (DAMASK_spectral_SolverBasicPETSC_label)
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call BasicPETSC_destroy()
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case (DAMASK_spectral_SolverAL_label)
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call AL_destroy()
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case (DAMASK_spectral_SolverPolarisation_label)
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call Polarisation_destroy()
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#endif
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end select
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@ -17,7 +17,7 @@
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! along with DAMASK. If not, see <http://www.gnu.org/licenses/>.
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!
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!--------------------------------------------------------------------------------------------------
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! $Id$
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! $Id: DAMASK_spectral_solverAL.f90 2487 2013-06-14 09:49:33Z MPIE\f.roters $
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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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@ -40,7 +40,7 @@ module DAMASK_spectral_solverAL
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#include <finclude/petscsnes.h>
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character (len=*), parameter, public :: &
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DAMASK_spectral_SolverAL_label = 'al'
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DAMASK_spectral_solverAL_label = 'al'
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!--------------------------------------------------------------------------------------------------
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! derived types
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@ -63,9 +63,9 @@ module DAMASK_spectral_solverAL
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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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F_lambda_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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F_lambdaDot !< 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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@ -162,11 +162,11 @@ subroutine AL_init(temperature)
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PetscErrorCode :: ierr
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PetscObject :: dummy
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PetscScalar, pointer, dimension(:,:,:,:) :: xx_psc, F, F_tau
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PetscScalar, pointer, dimension(:,:,:,:) :: xx_psc, F, F_lambda
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call Utilities_init()
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write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverAL init -+>>>'
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write(6,'(a)') ' $Id$'
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write(6,'(a)') ' $Id: DAMASK_spectral_solverAL.f90 2487 2013-06-14 09:49:33Z MPIE\f.roters $'
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write(6,'(a16,a)') ' Current time : ',IO_timeStamp()
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#include "compilation_info.f90"
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@ -175,8 +175,8 @@ subroutine AL_init(temperature)
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! allocate global fields
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allocate (F_lastInc (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
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allocate (Fdot (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
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allocate (F_tau_lastInc(3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
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allocate (F_tauDot (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
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allocate (F_lambda_lastInc(3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
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allocate (F_lambdaDot (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
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!--------------------------------------------------------------------------------------------------
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! PETSc Init
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@ -197,12 +197,12 @@ subroutine AL_init(temperature)
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! init fields
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call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! places pointer xx_psc on PETSc data
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F => xx_psc(0:8,:,:,:)
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F_tau => xx_psc(9:17,:,:,:)
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F_lambda => xx_psc(9:17,:,:,:)
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if (restartInc == 1_pInt) then ! no deformation (no restart)
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F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid(3)) ! initialize to identity
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F_tau_lastInc = F_lastInc
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F_lambda_lastInc = F_lastInc
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F = reshape(F_lastInc,[9,grid(1),grid(2),grid(3)])
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F_tau = F
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F_lambda = F
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elseif (restartInc > 1_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-1_pInt)//',a)') &
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@ -218,13 +218,13 @@ subroutine AL_init(temperature)
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close (777)
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F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
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F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
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call IO_read_jobBinaryFile(777,'F_tau',&
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trim(getSolverJobName()),size(F_tau))
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read (777,rec=1) F_tau
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call IO_read_jobBinaryFile(777,'F_lambda',&
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trim(getSolverJobName()),size(F_lambda))
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read (777,rec=1) F_lambda
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close (777)
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call IO_read_jobBinaryFile(777,'F_tau_lastInc',&
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trim(getSolverJobName()),size(F_tau_lastInc))
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read (777,rec=1) F_tau_lastInc
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call IO_read_jobBinaryFile(777,'F_lambda_lastInc',&
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trim(getSolverJobName()),size(F_lambda_lastInc))
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read (777,rec=1) F_lambda_lastInc
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close (777)
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call IO_read_jobBinaryFile(777,'F_aimDot',trim(getSolverJobName()),size(f_aimDot))
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read (777,rec=1) f_aimDot
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@ -274,7 +274,7 @@ type(tSolutionState) function &
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math_mul3333xx33, &
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math_rotate_backward33, &
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math_invSym3333
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use mesh, only: &
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use mesh, only: &
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mesh_ipCoordinates, &
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mesh_deformedCoordsFFT
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use IO, only: &
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@ -311,17 +311,18 @@ type(tSolutionState) function &
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character(len=*), intent(in) :: &
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incInfoIn
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real(pReal), dimension(3,3), intent(in) :: rotation_BC
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real(pReal) :: err_stress_tol
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!--------------------------------------------------------------------------------------------------
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! PETSc Data
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PetscScalar, dimension(:,:,:,:), pointer :: xx_psc, F, F_tau
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PetscScalar, dimension(:,:,:,:), pointer :: xx_psc, F, F_lambda
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PetscErrorCode :: ierr
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SNESConvergedReason :: reason
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SNESConvergedReason ::reason
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incInfo = incInfoIn ! set global variable to incoming one
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incInfo = incInfoIn
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call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr)
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F => xx_psc(0:8,:,:,:)
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F_tau => xx_psc(9:17,:,:,:)
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F_lambda => xx_psc(9:17,:,:,:)
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!--------------------------------------------------------------------------------------------------
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! restart information for spectral solver
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@ -334,11 +335,11 @@ type(tSolutionState) function &
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call IO_write_jobBinaryFile(777,'F_lastInc',size(F_lastInc)) ! writing F_lastInc field to file
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write (777,rec=1) F_lastInc
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close (777)
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call IO_write_jobBinaryFile(777,'F_tau',size(F_tau)) ! writing deformation gradient field to file
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write (777,rec=1) F_tau
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call IO_write_jobBinaryFile(777,'F_lambda',size(F_lambda)) ! writing deformation gradient field to file
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write (777,rec=1) F_lambda
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close (777)
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call IO_write_jobBinaryFile(777,'F_tau_lastInc',size(F_tau_lastInc)) ! writing F_lastInc field to file
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write (777,rec=1) F_tau_lastInc
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call IO_write_jobBinaryFile(777,'F_lambda_lastInc',size(F_lambda_lastInc)) ! writing F_lastInc field to file
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write (777,rec=1) F_lambda_lastInc
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close (777)
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call IO_write_jobBinaryFile(777,'F_aimDot',size(F_aimDot))
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write (777,rec=1) F_aimDot
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@ -354,7 +355,7 @@ type(tSolutionState) function &
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if (cutBack) then
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F_aim = F_aim_lastInc
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F_tau= reshape(F_tau_lastInc,[9,grid(1),grid(2),grid(3)])
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F_lambda= reshape(F_lambda_lastInc,[9,grid(1),grid(2),grid(3)])
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F = reshape(F_lastInc, [9,grid(1),grid(2),grid(3)])
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C_volAvg = C_volAvgLastInc
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else
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@ -377,11 +378,11 @@ type(tSolutionState) function &
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F,[3,3,grid(1),grid(2),grid(3)])),[3,1,product(grid)])
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Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
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timeinc_old,guess,F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid(3)]))
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F_tauDot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
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timeinc_old,guess,F_tau_lastInc,reshape(F_tau,[3,3,grid(1),grid(2),grid(3)]))
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F_lambdaDot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
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timeinc_old,guess,F_lambda_lastInc,reshape(F_lambda,[3,3,grid(1),grid(2),grid(3)]))
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F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid(3)])
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F_tau_lastInc = reshape(F_tau,[3,3,grid(1),grid(2),grid(3)])
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F_lambda_lastInc = reshape(F_lambda,[3,3,grid(1),grid(2),grid(3)])
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endif
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F_aim = F_aim + f_aimDot * timeinc
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@ -389,7 +390,7 @@ type(tSolutionState) function &
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! update local deformation gradient
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F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! ensure that it matches rotated F_aim
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math_rotate_backward33(F_aim,rotation_BC)),[9,grid(1),grid(2),grid(3)])
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F_tau = reshape(Utilities_forwardField(timeinc,F_tau_lastInc,F_taudot), [9,grid(1),grid(2),grid(3)]) ! does not have any average value as boundary condition
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F_lambda = reshape(Utilities_forwardField(timeinc,F_lambda_lastInc,F_lambdadot), [9,grid(1),grid(2),grid(3)]) ! does not have any average value as boundary condition
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call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr)
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CHKERRQ(ierr)
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@ -415,9 +416,8 @@ type(tSolutionState) function &
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!--------------------------------------------------------------------------------------------------
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! solve BVP
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call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
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CHKERRQ(ierr)
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call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
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CHKERRQ(ierr)
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!--------------------------------------------------------------------------------------------------
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! stress BC handling
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err_stress = maxval(abs(mask_stress * (P_av - params%P_BC))) ! mask = 0.0 for no bc
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@ -430,11 +430,11 @@ type(tSolutionState) function &
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!--------------------------------------------------------------------------------------------------
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! check convergence
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call SNESGetConvergedReason(snes,reason,ierr)
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CHKERRQ(ierr)
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call SNESGetConvergedReason(snes,reason,ierr)
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CHKERRQ(ierr)
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AL_solution%termIll = terminallyIll
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terminallyIll = .false.
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AL_solution%termIll = terminallyIll
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terminallyIll = .false.
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AL_solution%converged = .true.
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if (reason < 1 ) AL_solution%converged = .false.
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AL_solution%iterationsNeeded = totalIter
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@ -489,24 +489,24 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
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f_scal
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PetscScalar, pointer, dimension(:,:,:,:,:) :: &
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F, &
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F_tau, &
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F_lambda, &
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residual_F, &
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residual_F_tau
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residual_F_lambda
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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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integer(pInt) :: &
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i, j, k, e
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i, j, k
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F => x_scal(1:3,1:3,1,&
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XG_RANGE,YG_RANGE,ZG_RANGE)
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F_tau => x_scal(1:3,1:3,2,&
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F_lambda => x_scal(1:3,1:3,2,&
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XG_RANGE,YG_RANGE,ZG_RANGE)
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residual_F => f_scal(1:3,1:3,1,&
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X_RANGE,Y_RANGE,Z_RANGE)
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residual_F_tau => f_scal(1:3,1:3,2,&
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residual_F_lambda => f_scal(1:3,1:3,2,&
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X_RANGE,Y_RANGE,Z_RANGE)
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call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
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@ -533,8 +533,8 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
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!
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field_real = 0.0_pReal
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do k = 1_pInt, grid(3); do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
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field_real(i,j,k,1:3,1:3) = math_mul3333xx33(C_scale,(polarAlpha + polarBeta)*F(1:3,1:3,i,j,k) - &
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(polarAlpha)*F_tau(1:3,1:3,i,j,k))
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field_real(i,j,k,1:3,1:3) = math_mul3333xx33(C_scale,polarBeta*F(1:3,1:3,i,j,k) - &
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polarAlpha*F_lambda(1:3,1:3,i,j,k))
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enddo; enddo; enddo
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!--------------------------------------------------------------------------------------------------
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@ -545,33 +545,30 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
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!--------------------------------------------------------------------------------------------------
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! constructing residual
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residual_F_tau = polarBeta*F - reshape(field_real(1:grid(1),1:grid(2),1:grid(3),1:3,1:3),&
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residual_F_lambda = polarBeta*F - reshape(field_real(1:grid(1),1:grid(2),1:grid(3),1:3,1:3),&
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[3,3,grid(1),grid(2),grid(3)],order=[3,4,5,1,2])
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!--------------------------------------------------------------------------------------------------
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! evaluate constitutive response
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call Utilities_constitutiveResponse(F_lastInc,F - residual_F_tau/polarBeta,params%temperature,params%timeinc, &
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call Utilities_constitutiveResponse(F_lastInc,F - residual_F_lambda/polarBeta,params%temperature,params%timeinc, &
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residual_F,C_volAvg,C_minMaxAvg,P_av,ForwardData,params%rotation_BC)
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ForwardData = .False.
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!--------------------------------------------------------------------------------------------------
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! constructing residual
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e = 0_pInt
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err_p = 0.0_pReal
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do k = 1_pInt, grid(3); do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
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e = e + 1_pInt
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err_p = err_p + sum((math_mul3333xx33(S_scale,residual_F(1:3,1:3,i,j,k)) - &
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(F_tau(1:3,1:3,i,j,k) - &
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F(1:3,1:3,i,j,k) + residual_F_tau(1:3,1:3,i,j,k)/polarBeta))**2.0_pReal)
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residual_F(1:3,1:3,i,j,k) = math_mul3333xx33(math_invSym3333(materialpoint_dPdF(:,:,:,:,1,e) + C_scale), &
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residual_F(1:3,1:3,i,j,k) - &
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math_mul3333xx33(C_scale,F_tau(1:3,1:3,i,j,k) - F(1:3,1:3,i,j,k))) &
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+ residual_F_tau(1:3,1:3,i,j,k)
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err_p = err_p + sum((math_I3 + math_mul3333xx33(S_scale,residual_F(1:3,1:3,i,j,k)) - &
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F_lambda(1:3,1:3,i,j,k))**2.0_pReal)
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residual_F(1:3,1:3,i,j,k) = math_I3 + math_mul3333xx33(S_scale,residual_F(1:3,1:3,i,j,k)) - &
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F_lambda(1:3,1:3,i,j,k) &
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+ residual_F_lambda(1:3,1:3,i,j,k)
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enddo; enddo; enddo
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!--------------------------------------------------------------------------------------------------
|
||||
! calculating errors
|
||||
err_f = wgt*sqrt(sum(residual_F_tau**2.0_pReal))/polarBeta
|
||||
err_f = wgt*sqrt(sum(residual_F_lambda**2.0_pReal))/polarBeta
|
||||
err_p = wgt*sqrt(err_p)
|
||||
|
||||
end subroutine AL_formResidual
|
||||
|
|
@ -601,19 +598,7 @@ subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr
|
|||
SNESConvergedReason :: reason
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode ::ierr
|
||||
logical :: Converged
|
||||
Converged = (totalIter >= itmin .and. &
|
||||
all([ err_f/err_f_tol, &
|
||||
err_p/err_p_tol ] < 1.0_pReal)) &
|
||||
.or. terminallyIll
|
||||
|
||||
if (Converged) then
|
||||
reason = 1
|
||||
elseif (totalIter >= itmax) then
|
||||
reason = -1
|
||||
else
|
||||
reason = 0
|
||||
endif
|
||||
|
||||
write(6,'(1/,a)') ' ... reporting .............................................................'
|
||||
write(6,'(/,a,f8.2,a,es11.5,a,es11.4,a)') ' mismatch F = ', &
|
||||
err_f/err_f_tol, &
|
||||
|
|
@ -621,8 +606,18 @@ subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr
|
|||
write(6,'(a,f8.2,a,es11.5,a,es11.4,a)') ' mismatch P = ', &
|
||||
err_p/err_p_tol, &
|
||||
' (',err_p,' -, tol =',err_p_tol,')'
|
||||
if(err_p/err_p_tol>1.0_pReal .or. err_f/err_f_tol>1.0_pReal) & ! if not converged, write line for end of iteration (otherwise stress BC check will be done)
|
||||
write(6,'(/,a)') ' ==========================================================================='
|
||||
converged: if ((totalIter >= itmin .and. &
|
||||
all([ err_f/err_f_tol, &
|
||||
err_p/err_p_tol ] < 1.0_pReal)) &
|
||||
.or. terminallyIll) then
|
||||
reason = 1
|
||||
elseif (totalIter >= itmax) then converged
|
||||
reason = -1
|
||||
write(6,'(/,a)') ' ===========================================================================' ! if leaving, write line for end of iteration (otherwise stress BC check will be done)
|
||||
else converged
|
||||
reason = 0
|
||||
write(6,'(/,a)') ' ===========================================================================' ! if leaving, write line for end of iteration (otherwise stress BC check will be done)
|
||||
endif converged
|
||||
flush(6)
|
||||
|
||||
end subroutine AL_converged
|
||||
|
|
|
|||
|
|
@ -0,0 +1,648 @@
|
|||
! Copyright 2011-13 Max-Planck-Institut für Eisenforschung GmbH
|
||||
!
|
||||
! This file is part of DAMASK,
|
||||
! the Düsseldorf Advanced MAterial Simulation Kit.
|
||||
!
|
||||
! DAMASK is free software: you can redistribute it and/or modify
|
||||
! it under the terms of the GNU General Public License as published by
|
||||
! the Free Software Foundation, either version 3 of the License, or
|
||||
! (at your option) any later version.
|
||||
!
|
||||
! DAMASK is distributed in the hope that it will be useful,
|
||||
! but WITHOUT ANY WARRANTY; without even the implied warranty of
|
||||
! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
|
||||
! GNU General Public License for more details.
|
||||
!
|
||||
! You should have received a copy of the GNU General Public License
|
||||
! along with DAMASK. If not, see <http://www.gnu.org/licenses/>.
|
||||
!
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! $Id$
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
|
||||
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
|
||||
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
|
||||
!> @brief Polarisation scheme solver
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
module DAMASK_spectral_solverPolarisation
|
||||
use prec, only: &
|
||||
pInt, &
|
||||
pReal
|
||||
use math, only: &
|
||||
math_I3
|
||||
use DAMASK_spectral_utilities, only: &
|
||||
tSolutionState
|
||||
|
||||
implicit none
|
||||
private
|
||||
#include <finclude/petscsys.h>
|
||||
#include <finclude/petscdmda.h>
|
||||
#include <finclude/petscsnes.h>
|
||||
|
||||
character (len=*), parameter, public :: &
|
||||
DAMASK_spectral_solverPolarisation_label = 'polarisation'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! derived types
|
||||
type tSolutionParams !< @todo use here the type definition for a full loadcase including mask
|
||||
real(pReal), dimension(3,3) :: P_BC, rotation_BC
|
||||
real(pReal) :: timeinc
|
||||
real(pReal) :: temperature
|
||||
end type tSolutionParams
|
||||
|
||||
type(tSolutionParams), private :: params
|
||||
real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! PETSc data
|
||||
DM, private :: da
|
||||
SNES, private :: snes
|
||||
Vec, private :: solution_vec
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! common pointwise data
|
||||
real(pReal), private, dimension(:,:,:,:,:), allocatable :: &
|
||||
F_lastInc, & !< field of previous compatible deformation gradients
|
||||
F_tau_lastInc, & !< field of previous incompatible deformation gradient
|
||||
Fdot, & !< field of assumed rate of compatible deformation gradient
|
||||
F_tauDot !< field of assumed rate of incopatible deformation gradient
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! stress, stiffness and compliance average etc.
|
||||
real(pReal), private, dimension(3,3) :: &
|
||||
F_aimDot, & !< assumed rate of average deformation gradient
|
||||
F_aim = math_I3, & !< current prescribed deformation gradient
|
||||
F_aim_lastInc = math_I3, & !< previous average deformation gradient
|
||||
P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress
|
||||
character(len=1024), private :: incInfo !< time and increment information
|
||||
real(pReal), private, dimension(3,3,3,3) :: &
|
||||
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
||||
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
||||
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
|
||||
S = 0.0_pReal, & !< current compliance (filled up with zeros)
|
||||
C_scale = 0.0_pReal, &
|
||||
S_scale = 0.0_pReal
|
||||
|
||||
real(pReal), private :: &
|
||||
err_stress, & !< deviation from stress BC
|
||||
err_f, & !< difference between compatible and incompatible deformation gradient
|
||||
err_p !< difference of stress resulting from compatible and incompatible F
|
||||
logical, private :: ForwardData
|
||||
integer(pInt), private :: &
|
||||
currIter = 0_pInt, & !< helper to count total iteration correctly
|
||||
totalIter = 0_pInt !< total iteration in current increment
|
||||
|
||||
public :: &
|
||||
Polarisation_init, &
|
||||
Polarisation_solution, &
|
||||
Polarisation_destroy
|
||||
external :: &
|
||||
VecDestroy, &
|
||||
DMDestroy, &
|
||||
DMDACreate3D, &
|
||||
DMCreateGlobalVector, &
|
||||
DMDASetLocalFunction, &
|
||||
PETScFinalize, &
|
||||
SNESDestroy, &
|
||||
SNESGetNumberFunctionEvals, &
|
||||
SNESGetIterationNumber, &
|
||||
SNESSolve, &
|
||||
SNESSetDM, &
|
||||
SNESGetConvergedReason, &
|
||||
SNESSetConvergenceTest, &
|
||||
SNESSetFromOptions, &
|
||||
SNESCreate, &
|
||||
MPI_Abort
|
||||
|
||||
contains
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief allocates all neccessary fields and fills them with data, potentially from restart info
|
||||
!> @todo use sourced allocation, e.g. allocate(Fdot,source = F_lastInc)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine Polarisation_init(temperature)
|
||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment)
|
||||
use IO, only: &
|
||||
IO_intOut, &
|
||||
IO_read_JobBinaryFile, &
|
||||
IO_write_JobBinaryFile, &
|
||||
IO_timeStamp
|
||||
use debug, only : &
|
||||
debug_level, &
|
||||
debug_spectral, &
|
||||
debug_spectralRestart
|
||||
use FEsolving, only: &
|
||||
restartInc
|
||||
use DAMASK_interface, only: &
|
||||
getSolverJobName
|
||||
use DAMASK_spectral_Utilities, only: &
|
||||
Utilities_init, &
|
||||
Utilities_constitutiveResponse, &
|
||||
Utilities_updateGamma, &
|
||||
grid, &
|
||||
geomSize, &
|
||||
wgt
|
||||
use mesh, only: &
|
||||
mesh_ipCoordinates, &
|
||||
mesh_deformedCoordsFFT
|
||||
use math, only: &
|
||||
math_invSym3333
|
||||
|
||||
implicit none
|
||||
real(pReal), intent(inout) :: &
|
||||
temperature
|
||||
#include <finclude/petscdmda.h90>
|
||||
#include <finclude/petscsnes.h90>
|
||||
real(pReal), dimension(:,:,:,:,:), allocatable :: P
|
||||
real(pReal), dimension(3,3) :: &
|
||||
temp33_Real = 0.0_pReal
|
||||
real(pReal), dimension(3,3,3,3) :: &
|
||||
temp3333_Real = 0.0_pReal, &
|
||||
temp3333_Real2 = 0.0_pReal
|
||||
|
||||
PetscErrorCode :: ierr
|
||||
PetscObject :: dummy
|
||||
PetscScalar, pointer, dimension(:,:,:,:) :: xx_psc, F, F_tau
|
||||
|
||||
call Utilities_init()
|
||||
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverPolarisation init -+>>>'
|
||||
write(6,'(a)') ' $Id$'
|
||||
write(6,'(a16,a)') ' Current time : ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
|
||||
allocate (P (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! allocate global fields
|
||||
allocate (F_lastInc (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
|
||||
allocate (Fdot (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
|
||||
allocate (F_tau_lastInc(3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
|
||||
allocate (F_tauDot (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! PETSc Init
|
||||
call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
|
||||
call DMDACreate3d(PETSC_COMM_WORLD, &
|
||||
DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, &
|
||||
DMDA_STENCIL_BOX,grid(1),grid(2),grid(3),PETSC_DECIDE,PETSC_DECIDE,PETSC_DECIDE, &
|
||||
18,1,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,da,ierr)
|
||||
CHKERRQ(ierr)
|
||||
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr)
|
||||
call DMDASetLocalFunction(da,Polarisation_formResidual,ierr); CHKERRQ(ierr)
|
||||
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
|
||||
call SNESSetConvergenceTest(snes,Polarisation_converged,dummy,PETSC_NULL_FUNCTION,ierr)
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! init fields
|
||||
call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! places pointer xx_psc on PETSc data
|
||||
F => xx_psc(0:8,:,:,:)
|
||||
F_tau => xx_psc(9:17,:,:,:)
|
||||
if (restartInc == 1_pInt) then ! no deformation (no restart)
|
||||
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid(3)) ! initialize to identity
|
||||
F_tau_lastInc = F_lastInc
|
||||
F = reshape(F_lastInc,[9,grid(1),grid(2),grid(3)])
|
||||
F_tau = F
|
||||
elseif (restartInc > 1_pInt) then
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0) &
|
||||
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
|
||||
'reading values of increment', restartInc - 1_pInt, 'from file'
|
||||
flush(6)
|
||||
call IO_read_jobBinaryFile(777,'F',&
|
||||
trim(getSolverJobName()),size(F))
|
||||
read (777,rec=1) F
|
||||
close (777)
|
||||
call IO_read_jobBinaryFile(777,'F_lastInc',&
|
||||
trim(getSolverJobName()),size(F_lastInc))
|
||||
read (777,rec=1) F_lastInc
|
||||
close (777)
|
||||
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
|
||||
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
|
||||
call IO_read_jobBinaryFile(777,'F_tau',&
|
||||
trim(getSolverJobName()),size(F_tau))
|
||||
read (777,rec=1) F_tau
|
||||
close (777)
|
||||
call IO_read_jobBinaryFile(777,'F_tau_lastInc',&
|
||||
trim(getSolverJobName()),size(F_tau_lastInc))
|
||||
read (777,rec=1) F_tau_lastInc
|
||||
close (777)
|
||||
call IO_read_jobBinaryFile(777,'F_aimDot',trim(getSolverJobName()),size(f_aimDot))
|
||||
read (777,rec=1) f_aimDot
|
||||
close (777)
|
||||
call IO_read_jobBinaryFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg))
|
||||
read (777,rec=1) C_volAvg
|
||||
close (777)
|
||||
call IO_read_jobBinaryFile(777,'C_volAvgLastInc',trim(getSolverJobName()),size(C_volAvgLastInc))
|
||||
read (777,rec=1) C_volAvgLastInc
|
||||
close (777)
|
||||
call IO_read_jobBinaryFile(777,'C_ref',trim(getSolverJobName()),size(temp3333_Real))
|
||||
read (777,rec=1) C_minMaxAvg
|
||||
close (777)
|
||||
endif
|
||||
mesh_ipCoordinates = reshape(mesh_deformedCoordsFFT(geomSize,reshape(&
|
||||
F,[3,3,grid(1),grid(2),grid(3)])),[3,1,product(grid)])
|
||||
call Utilities_constitutiveResponse(F,F,temperature,0.0_pReal,P,temp3333_Real,temp3333_Real2,&
|
||||
temp33_Real,.false.,math_I3)
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! reference stiffness
|
||||
if (restartInc == 1_pInt) then ! use initial stiffness as reference stiffness
|
||||
C_minMaxAvg = temp3333_Real2
|
||||
C_volAvg = temp3333_Real
|
||||
endif
|
||||
|
||||
call Utilities_updateGamma(temp3333_Real2,.True.)
|
||||
C_scale = temp3333_Real2
|
||||
S_scale = math_invSym3333(temp3333_Real2)
|
||||
|
||||
end subroutine Polarisation_init
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief solution for the Polarisation scheme with internal iterations
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
type(tSolutionState) function &
|
||||
Polarisation_solution(incInfoIn,guess,timeinc,timeinc_old,loadCaseTime,P_BC,F_BC,temperature_bc,rotation_BC)
|
||||
use numerics, only: &
|
||||
update_gamma, &
|
||||
itmax, &
|
||||
err_stress_tolrel, &
|
||||
err_stress_tolabs
|
||||
use math, only: &
|
||||
math_mul33x33 ,&
|
||||
math_mul3333xx33, &
|
||||
math_rotate_backward33, &
|
||||
math_invSym3333
|
||||
use mesh, only: &
|
||||
mesh_ipCoordinates, &
|
||||
mesh_deformedCoordsFFT
|
||||
use IO, only: &
|
||||
IO_write_JobBinaryFile
|
||||
use DAMASK_spectral_Utilities, only: &
|
||||
grid, &
|
||||
geomSize, &
|
||||
tBoundaryCondition, &
|
||||
Utilities_forwardField, &
|
||||
Utilities_calculateRate, &
|
||||
Utilities_maskedCompliance, &
|
||||
Utilities_updateGamma, &
|
||||
cutBack
|
||||
use FEsolving, only: &
|
||||
restartWrite, &
|
||||
terminallyIll
|
||||
|
||||
implicit none
|
||||
#include <finclude/petscdmda.h90>
|
||||
#include <finclude/petscsnes.h90>
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! input data for solution
|
||||
real(pReal), intent(in) :: &
|
||||
timeinc, & !< increment in time for current solution
|
||||
timeinc_old, & !< increment in time of last increment
|
||||
loadCaseTime, & !< remaining time of current load case
|
||||
temperature_bc
|
||||
logical, intent(in) :: &
|
||||
guess
|
||||
type(tBoundaryCondition), intent(in) :: &
|
||||
P_BC, &
|
||||
F_BC
|
||||
character(len=*), intent(in) :: &
|
||||
incInfoIn
|
||||
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
||||
real(pReal) :: err_stress_tol
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! PETSc Data
|
||||
PetscScalar, dimension(:,:,:,:), pointer :: xx_psc, F, F_tau
|
||||
PetscErrorCode :: ierr
|
||||
SNESConvergedReason :: reason
|
||||
|
||||
incInfo = incInfoIn ! set global variable to incoming one
|
||||
call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr)
|
||||
F => xx_psc(0:8,:,:,:)
|
||||
F_tau => xx_psc(9:17,:,:,:)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! restart information for spectral solver
|
||||
if (restartWrite) then
|
||||
write(6,'(/,a)') ' writing converged results for restart'
|
||||
flush(6)
|
||||
call IO_write_jobBinaryFile(777,'F',size(F)) ! writing deformation gradient field to file
|
||||
write (777,rec=1) F
|
||||
close (777)
|
||||
call IO_write_jobBinaryFile(777,'F_lastInc',size(F_lastInc)) ! writing F_lastInc field to file
|
||||
write (777,rec=1) F_lastInc
|
||||
close (777)
|
||||
call IO_write_jobBinaryFile(777,'F_tau',size(F_tau)) ! writing deformation gradient field to file
|
||||
write (777,rec=1) F_tau
|
||||
close (777)
|
||||
call IO_write_jobBinaryFile(777,'F_tau_lastInc',size(F_tau_lastInc)) ! writing F_lastInc field to file
|
||||
write (777,rec=1) F_tau_lastInc
|
||||
close (777)
|
||||
call IO_write_jobBinaryFile(777,'F_aimDot',size(F_aimDot))
|
||||
write (777,rec=1) F_aimDot
|
||||
close(777)
|
||||
call IO_write_jobBinaryFile(777,'C_volAvg',size(C_volAvg))
|
||||
write (777,rec=1) C_volAvg
|
||||
close(777)
|
||||
call IO_write_jobBinaryFile(777,'C_volAvgLastInc',size(C_volAvgLastInc))
|
||||
write (777,rec=1) C_volAvgLastInc
|
||||
close(777)
|
||||
endif
|
||||
Polarisation_solution%converged =.false.
|
||||
|
||||
if (cutBack) then
|
||||
F_aim = F_aim_lastInc
|
||||
F_tau= reshape(F_tau_lastInc,[9,grid(1),grid(2),grid(3)])
|
||||
F = reshape(F_lastInc, [9,grid(1),grid(2),grid(3)])
|
||||
C_volAvg = C_volAvgLastInc
|
||||
else
|
||||
C_volAvgLastInc = C_volAvg
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate rate for aim
|
||||
if (F_BC%myType=='l') then ! calculate f_aimDot from given L and current F
|
||||
f_aimDot = F_BC%maskFloat * math_mul33x33(F_BC%values, F_aim)
|
||||
elseif(F_BC%myType=='fdot') then ! f_aimDot is prescribed
|
||||
f_aimDot = F_BC%maskFloat * F_BC%values
|
||||
elseif(F_BC%myType=='f') then ! aim at end of load case is prescribed
|
||||
f_aimDot = F_BC%maskFloat * (F_BC%values -F_aim)/loadCaseTime
|
||||
endif
|
||||
if (guess) f_aimDot = f_aimDot + P_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old
|
||||
F_aim_lastInc = F_aim
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! update coordinates and rate and forward last inc
|
||||
mesh_ipCoordinates = reshape(mesh_deformedCoordsFFT(geomSize,reshape(&
|
||||
F,[3,3,grid(1),grid(2),grid(3)])),[3,1,product(grid)])
|
||||
Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
|
||||
timeinc_old,guess,F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid(3)]))
|
||||
F_tauDot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
|
||||
timeinc_old,guess,F_tau_lastInc,reshape(F_tau,[3,3,grid(1),grid(2),grid(3)]))
|
||||
|
||||
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid(3)])
|
||||
F_tau_lastInc = reshape(F_tau,[3,3,grid(1),grid(2),grid(3)])
|
||||
endif
|
||||
F_aim = F_aim + f_aimDot * timeinc
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! update local deformation gradient
|
||||
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! ensure that it matches rotated F_aim
|
||||
math_rotate_backward33(F_aim,rotation_BC)),[9,grid(1),grid(2),grid(3)])
|
||||
F_tau = reshape(Utilities_forwardField(timeinc,F_tau_lastInc,F_taudot), [9,grid(1),grid(2),grid(3)]) ! does not have any average value as boundary condition
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr)
|
||||
CHKERRQ(ierr)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! update stiffness (and gamma operator)
|
||||
S = Utilities_maskedCompliance(rotation_BC,P_BC%maskLogical,C_volAvg)
|
||||
if (update_gamma) then
|
||||
call Utilities_updateGamma(C_minMaxAvg,restartWrite)
|
||||
C_scale = C_minMaxAvg
|
||||
S_scale = math_invSym3333(C_minMaxAvg)
|
||||
endif
|
||||
|
||||
ForwardData = .True.
|
||||
mask_stress = P_BC%maskFloat
|
||||
params%P_BC = P_BC%values
|
||||
params%rotation_BC = rotation_BC
|
||||
params%timeinc = timeinc
|
||||
params%temperature = temperature_bc
|
||||
|
||||
err_stress_tol = 1.0_pReal; err_stress = 2.0_pReal * err_stress_tol ! ensure to start loop
|
||||
totalIter = -1_pInt
|
||||
do while(err_stress/err_stress_tol > 1.0_pReal) ! solve BVP and Stress RB
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! solve BVP
|
||||
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
|
||||
CHKERRQ(ierr)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! stress BC handling
|
||||
err_stress = maxval(abs(mask_stress * (P_av - params%P_BC))) ! mask = 0.0 for no bc
|
||||
err_stress_tol = max(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs)
|
||||
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%P_BC))) ! S = 0.0 for no bc
|
||||
write(6,'(1/,a)') ' ... correcting stress boundary condition .................................'
|
||||
write(6,'(1/,a,f8.2,a,es11.5,a,es11.4,a)') ' error stress BC = ', &
|
||||
err_stress/err_stress_tol, ' (',err_stress, ' Pa, tol =',err_stress_tol,')'
|
||||
write(6,'(/,a)') ' ==========================================================================='
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! check convergence
|
||||
call SNESGetConvergedReason(snes,reason,ierr)
|
||||
CHKERRQ(ierr)
|
||||
|
||||
Polarisation_solution%termIll = terminallyIll
|
||||
terminallyIll = .false.
|
||||
Polarisation_solution%converged = .true.
|
||||
if (reason < 1 ) Polarisation_solution%converged = .false.
|
||||
Polarisation_solution%iterationsNeeded = totalIter
|
||||
end do
|
||||
|
||||
end function Polarisation_solution
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief forms the Polarisation residual vector
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||
use numerics, only: &
|
||||
itmax, &
|
||||
itmin, &
|
||||
polarAlpha, &
|
||||
polarBeta
|
||||
use IO, only: &
|
||||
IO_intOut
|
||||
use math, only: &
|
||||
math_rotate_backward33, &
|
||||
math_transpose33, &
|
||||
math_mul3333xx33, &
|
||||
math_invSym3333
|
||||
use DAMASK_spectral_Utilities, only: &
|
||||
grid, &
|
||||
wgt, &
|
||||
field_real, &
|
||||
Utilities_FFTforward, &
|
||||
Utilities_fourierConvolution, &
|
||||
Utilities_FFTbackward, &
|
||||
Utilities_constitutiveResponse
|
||||
use debug, only: &
|
||||
debug_level, &
|
||||
debug_spectral, &
|
||||
debug_spectralRotation
|
||||
use homogenization, only: &
|
||||
materialpoint_P, &
|
||||
materialpoint_dPdF
|
||||
|
||||
implicit none
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! strange syntax in the next line because otherwise macros expand beyond 132 character limit
|
||||
DMDALocalInfo, dimension(&
|
||||
DMDA_LOCAL_INFO_SIZE) :: &
|
||||
in
|
||||
PetscScalar, target, dimension(3,3,2, &
|
||||
XG_RANGE,YG_RANGE,ZG_RANGE) :: &
|
||||
x_scal
|
||||
PetscScalar, target, dimension(3,3,2, &
|
||||
X_RANGE,Y_RANGE,Z_RANGE) :: &
|
||||
f_scal
|
||||
PetscScalar, pointer, dimension(:,:,:,:,:) :: &
|
||||
F, &
|
||||
F_tau, &
|
||||
residual_F, &
|
||||
residual_F_tau
|
||||
PetscInt :: &
|
||||
PETScIter, &
|
||||
nfuncs
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode :: ierr
|
||||
integer(pInt) :: &
|
||||
i, j, k, e
|
||||
|
||||
F => x_scal(1:3,1:3,1,&
|
||||
XG_RANGE,YG_RANGE,ZG_RANGE)
|
||||
F_tau => x_scal(1:3,1:3,2,&
|
||||
XG_RANGE,YG_RANGE,ZG_RANGE)
|
||||
residual_F => f_scal(1:3,1:3,1,&
|
||||
X_RANGE,Y_RANGE,Z_RANGE)
|
||||
residual_F_tau => f_scal(1:3,1:3,2,&
|
||||
X_RANGE,Y_RANGE,Z_RANGE)
|
||||
|
||||
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
||||
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
||||
|
||||
if(nfuncs== 0 .and. PETScIter == 0) currIter = -1_pInt ! new increment
|
||||
|
||||
if (PETScIter == currIter .or. currIter == -1 ) then ! new iteration
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! report begin of new iteration
|
||||
currIter = currIter + 1_pInt
|
||||
totalIter = totalIter + 1_pInt
|
||||
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) =', &
|
||||
math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim =', &
|
||||
math_transpose33(F_aim)
|
||||
flush(6)
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!
|
||||
field_real = 0.0_pReal
|
||||
do k = 1_pInt, grid(3); do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
|
||||
field_real(i,j,k,1:3,1:3) = math_mul3333xx33(C_scale,(polarAlpha + polarBeta)*F(1:3,1:3,i,j,k) - &
|
||||
(polarAlpha)*F_tau(1:3,1:3,i,j,k))
|
||||
enddo; enddo; enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! doing convolution in Fourier space
|
||||
call Utilities_FFTforward()
|
||||
call Utilities_fourierConvolution(math_rotate_backward33(polarBeta*F_aim,params%rotation_BC))
|
||||
call Utilities_FFTbackward()
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! constructing residual
|
||||
residual_F_tau = polarBeta*F - reshape(field_real(1:grid(1),1:grid(2),1:grid(3),1:3,1:3),&
|
||||
[3,3,grid(1),grid(2),grid(3)],order=[3,4,5,1,2])
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! evaluate constitutive response
|
||||
call Utilities_constitutiveResponse(F_lastInc,F - residual_F_tau/polarBeta,params%temperature,params%timeinc, &
|
||||
residual_F,C_volAvg,C_minMaxAvg,P_av,ForwardData,params%rotation_BC)
|
||||
ForwardData = .False.
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! constructing residual
|
||||
e = 0_pInt
|
||||
err_p = 0.0_pReal
|
||||
do k = 1_pInt, grid(3); do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
|
||||
e = e + 1_pInt
|
||||
err_p = err_p + sum((math_mul3333xx33(S_scale,residual_F(1:3,1:3,i,j,k)) - &
|
||||
(F_tau(1:3,1:3,i,j,k) - &
|
||||
F(1:3,1:3,i,j,k) + residual_F_tau(1:3,1:3,i,j,k)/polarBeta))**2.0_pReal)
|
||||
residual_F(1:3,1:3,i,j,k) = math_mul3333xx33(math_invSym3333(materialpoint_dPdF(:,:,:,:,1,e) + C_scale), &
|
||||
residual_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))) &
|
||||
+ residual_F_tau(1:3,1:3,i,j,k)
|
||||
enddo; enddo; enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculating errors
|
||||
err_f = wgt*sqrt(sum(residual_F_tau**2.0_pReal))/polarBeta
|
||||
err_p = wgt*sqrt(err_p)
|
||||
|
||||
end subroutine Polarisation_formResidual
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief convergence check
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
|
||||
use numerics, only: &
|
||||
itmax, &
|
||||
itmin, &
|
||||
err_f_tol, &
|
||||
err_p_tol, &
|
||||
err_stress_tolrel, &
|
||||
err_stress_tolabs
|
||||
use FEsolving, only: &
|
||||
terminallyIll
|
||||
|
||||
implicit none
|
||||
SNES :: snes_local
|
||||
PetscInt :: PETScIter
|
||||
PetscReal :: &
|
||||
xnorm, &
|
||||
snorm, &
|
||||
fnorm
|
||||
SNESConvergedReason :: reason
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode ::ierr
|
||||
logical :: Converged
|
||||
Converged = (totalIter >= itmin .and. &
|
||||
all([ err_f/err_f_tol, &
|
||||
err_p/err_p_tol ] < 1.0_pReal)) &
|
||||
.or. terminallyIll
|
||||
|
||||
if (Converged) then
|
||||
reason = 1
|
||||
elseif (totalIter >= itmax) then
|
||||
reason = -1
|
||||
else
|
||||
reason = 0
|
||||
endif
|
||||
write(6,'(1/,a)') ' ... reporting .............................................................'
|
||||
write(6,'(/,a,f8.2,a,es11.5,a,es11.4,a)') ' mismatch F = ', &
|
||||
err_f/err_f_tol, &
|
||||
' (',err_f,' -, tol =',err_f_tol,')'
|
||||
write(6,'(a,f8.2,a,es11.5,a,es11.4,a)') ' mismatch P = ', &
|
||||
err_p/err_p_tol, &
|
||||
' (',err_p,' -, tol =',err_p_tol,')'
|
||||
if(err_p/err_p_tol>1.0_pReal .or. err_f/err_f_tol>1.0_pReal) & ! if not converged, write line for end of iteration (otherwise stress BC check will be done)
|
||||
write(6,'(/,a)') ' ==========================================================================='
|
||||
flush(6)
|
||||
|
||||
end subroutine Polarisation_converged
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief destroy routine
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine Polarisation_destroy()
|
||||
use DAMASK_spectral_Utilities, only: &
|
||||
Utilities_destroy
|
||||
|
||||
implicit none
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
call VecDestroy(solution_vec,ierr); CHKERRQ(ierr)
|
||||
call SNESDestroy(snes,ierr); CHKERRQ(ierr)
|
||||
call DMDestroy(da,ierr); CHKERRQ(ierr)
|
||||
call PetscFinalize(ierr); CHKERRQ(ierr)
|
||||
call Utilities_destroy()
|
||||
|
||||
end subroutine Polarisation_destroy
|
||||
|
||||
end module DAMASK_spectral_SolverPolarisation
|
||||
|
|
@ -350,7 +350,9 @@ COMPILED_FILES = prec.o DAMASK_spectral_interface.o IO.o libs.o numerics.o debug
|
|||
DAMASK_spectral_utilities.o DAMASK_spectral_solverBasic.o
|
||||
|
||||
ifdef PETSC_DIR
|
||||
PETSC_FILES = DAMASK_spectral_solverAL.o DAMASK_spectral_solverBasicPETSc.o
|
||||
PETSC_FILES = DAMASK_spectral_solverAL.o \
|
||||
DAMASK_spectral_solverBasicPETSc.o \
|
||||
DAMASK_spectral_solverPolarisation.o
|
||||
COMPILED_FILES += $(PETSC_FILES)
|
||||
endif
|
||||
|
||||
|
|
@ -369,6 +371,9 @@ DAMASK_spectral_solverAL.o: DAMASK_spectral_solverAL.f90\
|
|||
DAMASK_spectral_solverBasic.o: DAMASK_spectral_solverBasic.f90\
|
||||
DAMASK_spectral_utilities.o
|
||||
|
||||
DAMASK_spectral_solverPolarisation.o: DAMASK_spectral_solverPolarisation.f90\
|
||||
DAMASK_spectral_utilities.o
|
||||
|
||||
DAMASK_spectral_solverBasicPETSc.o: DAMASK_spectral_solverBasicPETSc.f90\
|
||||
DAMASK_spectral_utilities.o
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue