! 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) :: timeincOld
real(pReal) :: temperature
real(pReal) :: density
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_lastInc2, & !< field of 2nd 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
complex(pReal),private, dimension(:,:,:,:,:), allocatable :: inertiaField_fourier
!--------------------------------------------------------------------------------------------------
! 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
P_avLastEval = 0.0_pReal !< average 1st Piola--Kirchhoff stress last call of CPFEM_general
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 :: &
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, &
grid1Red, &
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 (F_lastInc2 (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)
allocate (inertiaField_fourier (grid1Red,grid(2),grid(3),3,3),source = cmplx(0.0_pReal,0.0_pReal,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_lastInc2 = F_lastInc
F_tau_lastInc = 2.0_pReal*F_lastInc
F = reshape(F_lastInc,[9,grid(1),grid(2),grid(3)])
F_tau = 2.0_pReal* 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)
call IO_read_jobBinaryFile(777,'F_lastInc2',&
trim(getSolverJobName()),size(F_lastInc2))
read (777,rec=1) F_lastInc2
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,density)
use numerics, only: &
update_gamma
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, &
density
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
!--------------------------------------------------------------------------------------------------
! 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(2.0_pReal*f_aimDot,rotation_BC), &
timeinc_old,guess,F_tau_lastInc,reshape(F_tau,[3,3,grid(1),grid(2),grid(3)]))
F_lastInc2 = F_lastInc
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%timeincOld = timeinc_old
params%temperature = temperature_bc
params%density = density
!--------------------------------------------------------------------------------------------------
! solve BVP
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------
! 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 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, &
err_stress_tolrel, &
err_stress_tolabs, &
err_f_tolabs, &
err_p_tolabs, &
err_f_p_tolrel, &
err_stress_tolabs
use IO, only: &
IO_intOut
use math, only: &
math_rotate_backward33, &
math_transpose33, &
math_mul3333xx33, &
math_invSym3333, &
PI
use DAMASK_spectral_Utilities, only: &
grid, &
geomSize, &
wgt, &
field_real, &
field_fourier, &
Utilities_FFTforward, &
Utilities_fourierConvolution, &
Utilities_inverseLaplace, &
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
real(pReal) :: correctionFactor
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) totalIter = -1_pInt ! new increment
if (totalIter <= PETScIter) then ! new iteration
!--------------------------------------------------------------------------------------------------
! report begin of new iteration
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
!--------------------------------------------------------------------------------------------------
! evaluate inertia
dynamic: if (params%density > 0.0_pReal) then
residual_F = ((F - F_lastInc)/params%timeinc - (F_lastInc - F_lastInc2)/params%timeincOld)/&
((params%timeinc + params%timeincOld)/2.0_pReal)
residual_F = params%density*product(geomSize/grid)*residual_F
field_real = 0.0_pReal
field_real(1:grid(1),1:grid(2),1:grid(3),1:3,1:3) = reshape(residual_F,[grid(1),grid(2),grid(3),3,3],&
order=[4,5,1,2,3]) ! field real has a different order
call Utilities_FFTforward()
call Utilities_inverseLaplace()
inertiaField_fourier = field_fourier
else dynamic
inertiaField_fourier = cmplx(0.0_pReal,0.0_pReal,pReal)
endif dynamic
!--------------------------------------------------------------------------------------------------
!
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()
field_fourier = field_fourier + polarAlpha*inertiaField_fourier
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
P_avLastEval = P_av
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.
!--------------------------------------------------------------------------------------------------
! stress BC handling
write(6,'(/,a)') ' ... correcting F to fullfill stress BC ....................................'
correctionFactor = (cos((1.0-10000.0_pReal**(-sum((P_av-P_avLastEval)**2.0_pReal)/& ! only correct when averages stress of last two calls doesn't strongly deviate
sum(P_av**2.0_pReal)))*PI)+1.0)/2.0_pReal
write(6,'(/,a,f10.4)') ' stress BC correction factor = ', correctionFactor
F_aim = F_aim - correctionFactor *math_mul3333xx33(S, ((P_av - params%P_BC))) ! S = 0.0 for no bc
err_stress = maxval(abs(mask_stress * (P_av - params%P_BC))) ! mask = 0.0 for no bc
!--------------------------------------------------------------------------------------------------
! 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(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)/polarBeta -&
math_I3) - &
residual_F(1:3,1:3,i,j,k))**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) - math_I3)) &
+ 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_tolabs, &
err_p_tolabs, &
err_f_p_tolrel, &
err_stress_tolabs, &
err_stress_tolrel
use FEsolving, only: &
terminallyIll
implicit none
SNES :: snes_local
PetscInt :: PETScIter
PetscReal :: &
xnorm, &
snorm, &
fnorm
SNESConvergedReason :: reason
PetscObject :: dummy
PetscErrorCode ::ierr
real(pReal) :: &
mismatch_f_tol, &
mismatch_p_tol, &
stressBC_tol
mismatch_f_tol = max(maxval(abs(F_aim-math_I3))*err_f_p_tolrel,err_f_tolabs)
mismatch_p_tol = max(maxval(abs(P_av)) *err_f_p_tolrel,err_p_tolabs)
stressBC_tol = max(maxval(abs(P_av)) *err_stress_tolrel,err_stress_tolabs)
write(6,'(1/,a)') ' ... reporting .............................................................'
write(6,'(/,a,f8.2,a,es11.5,a,es11.4,a)') ' mismatch F = ', &
err_f/mismatch_f_tol, &
' (',err_f,' -, tol =',mismatch_f_tol,')'
write(6,'(a,f8.2,a,es11.5,a,es11.4,a)') ' mismatch P = ', &
err_p/mismatch_p_tol, &
' (',err_p,' -, tol =',mismatch_p_tol,')'
write(6,'(a,f8.2,a,es11.5,a,es11.4,a)') ' error stress BC = ', &
err_stress/stressBC_tol, ' (',err_stress, ' Pa, tol =',stressBC_tol,')'
write(6,'(/,a)') ' ==========================================================================='
flush(6)
converged: if ((totalIter >= itmin .and. &
all([ err_f/mismatch_f_tol, &
err_p/mismatch_p_tol, &
err_stress/stressBC_tol] < 1.0_pReal)) &
.or. terminallyIll) then
reason = 1
elseif (totalIter >= itmax) then converged
reason = -1
else converged
reason = 0
endif converged
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