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internal (private) functions at the end of the module

This commit is contained in:
Martin Diehl 2019-03-22 16:02:00 +01:00
parent de92469e26
commit 72476ae796
3 changed files with 281 additions and 286 deletions
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6
src/grid_damage_spectral.f90
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@ -170,7 +170,7 @@ function grid_damage_spectral_solution(timeinc,timeinc_old,loadCaseTime) result(
loadCaseTime !< remaining time of current load case
integer :: i, j, k, cell
type(tSolutionState) :: solution
PetscInt ::position
PetscInt :: devNull
PetscReal :: minDamage, maxDamage, stagNorm, solnNorm
PetscErrorCode :: ierr
@ -208,8 +208,8 @@ function grid_damage_spectral_solution(timeinc,timeinc_old,loadCaseTime) result(
call damage_nonlocal_putNonLocalDamage(damage_current(i,j,k),1,cell)
enddo; enddo; enddo
call VecMin(solution_vec,position,minDamage,ierr); CHKERRQ(ierr)
call VecMax(solution_vec,position,maxDamage,ierr); CHKERRQ(ierr)
call VecMin(solution_vec,devNull,minDamage,ierr); CHKERRQ(ierr)
call VecMax(solution_vec,devNull,maxDamage,ierr); CHKERRQ(ierr)
if (solution%converged) &
write(6,'(/,a)') ' ... nonlocal damage converged .....................................'
write(6,'(/,a,f8.6,2x,f8.6,2x,f8.6,/)',advance='no') ' Minimum|Maximum|Delta Damage = ',&

209
src/grid_mech_spectral_basic.f90
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@ -35,7 +35,9 @@ module grid_mech_spectral_basic
!--------------------------------------------------------------------------------------------------
! common pointwise data
real(pReal), private, dimension(:,:,:,:,:), allocatable :: F_lastInc, Fdot
real(pReal), private, dimension(:,:,:,:,:), allocatable :: &
F_lastInc, &
Fdot
!--------------------------------------------------------------------------------------------------
! stress, stiffness and compliance average etc.
@ -44,9 +46,8 @@ module grid_mech_spectral_basic
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
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
@ -65,6 +66,8 @@ module grid_mech_spectral_basic
grid_mech_spectral_basic_init, &
grid_mech_spectral_basic_solution, &
grid_mech_spectral_basic_forward
private :: &
formResidual
contains
@ -107,7 +110,8 @@ subroutine grid_mech_spectral_basic_init
temp33_Real = 0.0_pReal
PetscErrorCode :: ierr
PetscScalar, pointer, dimension(:,:,:,:) :: F
PetscScalar, pointer, dimension(:,:,:,:) :: &
F ! pointer to solution data
PetscInt, dimension(worldsize) :: localK
integer :: fileUnit
character(len=1024) :: rankStr
@ -152,7 +156,7 @@ subroutine grid_mech_spectral_basic_init
call DMsetFromOptions(da,ierr); CHKERRQ(ierr)
call DMsetUp(da,ierr); CHKERRQ(ierr)
call DMcreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
call DMDASNESsetFunctionLocal(da,INSERT_VALUES,grid_mech_spectral_basic_formResidual,PETSC_NULL_SNES,ierr)! residual vector of same shape as solution vector
call DMDASNESsetFunctionLocal(da,INSERT_VALUES,formResidual,PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector
CHKERRQ(ierr)
call SNESsetConvergenceTest(snes,grid_mech_spectral_basic_converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr)! specify custom convergence check function "_converged"
CHKERRQ(ierr)
@ -160,7 +164,7 @@ subroutine grid_mech_spectral_basic_init
!--------------------------------------------------------------------------------------------------
! init fields
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! get the data out of PETSc to work with
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! places pointer on PETSc data
restart: if (restartInc > 0) then
if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0) then
@ -196,11 +200,10 @@ subroutine grid_mech_spectral_basic_init
reshape(F,shape(F_lastInc)), & ! target F
0.0_pReal, & ! time increment
math_I3) ! no rotation of boundary condition
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! write data back to PETSc
! QUESTION: why not writing back right after reading (l.189)?
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! deassociate pointer
restartRead: if (restartInc > 0) then
if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0) &
if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0 .and. worldrank == 0) &
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
'reading more values of increment ', restartInc, ' from file'
flush(6)
@ -218,7 +221,7 @@ end subroutine grid_mech_spectral_basic_init
!--------------------------------------------------------------------------------------------------
!> @brief solution for the Basic scheme with internal iterations
!> @brief solution for the basic scheme with internal iterations
!--------------------------------------------------------------------------------------------------
function grid_mech_spectral_basic_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC) result(solution)
use numerics, only: &
@ -245,7 +248,6 @@ function grid_mech_spectral_basic_solution(incInfoIn,timeinc,timeinc_old,stress_
real(pReal), dimension(3,3), intent(in) :: rotation_BC
type(tSolutionState) :: &
solution
!--------------------------------------------------------------------------------------------------
! PETSc Data
PetscErrorCode :: ierr
@ -283,97 +285,6 @@ function grid_mech_spectral_basic_solution(incInfoIn,timeinc,timeinc_old,stress_
end function grid_mech_spectral_basic_solution
!--------------------------------------------------------------------------------------------------
!> @brief forms the basic residual vector
!--------------------------------------------------------------------------------------------------
subroutine grid_mech_spectral_basic_formResidual(in, F, &
residuum, dummy, ierr)
use numerics, only: &
itmax, &
itmin
use mesh, only: &
grid, &
grid3
use math, only: &
math_rotate_backward33, &
math_mul3333xx33
use debug, only: &
debug_level, &
debug_spectral, &
debug_spectralRotation
use spectral_utilities, only: &
tensorField_real, &
utilities_FFTtensorForward, &
utilities_fourierGammaConvolution, &
utilities_FFTtensorBackward, &
utilities_constitutiveResponse, &
utilities_divergenceRMS
use IO, only: &
IO_intOut
use FEsolving, only: &
terminallyIll
implicit none
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in !< DMDA info (needs to be named "in" for macros like XRANGE to work)
PetscScalar, dimension(3,3,XG_RANGE,YG_RANGE,ZG_RANGE), &
intent(in) :: F !< deformation gradient field
PetscScalar, dimension(3,3,X_RANGE,Y_RANGE,Z_RANGE), &
intent(out) :: residuum !< residuum field
real(pReal), dimension(3,3) :: &
deltaF_aim
PetscInt :: &
PETScIter, &
nfuncs
PetscObject :: dummy
PetscErrorCode :: ierr
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1 ! new increment
!--------------------------------------------------------------------------------------------------
! begin of new iteration
newIteration: if (totalIter <= PETScIter) then
totalIter = totalIter + 1
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') &
trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim (lab) =', transpose(math_rotate_backward33(F_aim,params%rotation_BC))
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim =', transpose(F_aim)
flush(6)
endif newIteration
!--------------------------------------------------------------------------------------------------
! evaluate constitutive response
call Utilities_constitutiveResponse(residuum, & ! "residuum" gets field of first PK stress (to save memory)
P_av,C_volAvg,C_minMaxAvg, &
F,params%timeinc,params%rotation_BC)
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
!--------------------------------------------------------------------------------------------------
! stress BC handling
deltaF_aim = math_mul3333xx33(S, P_av - params%stress_BC)
F_aim = F_aim - deltaF_aim
err_BC = maxval(abs(params%stress_mask * (P_av - params%stress_BC))) ! mask = 0.0 when no stress bc
!--------------------------------------------------------------------------------------------------
! updated deformation gradient using fix point algorithm of basic scheme
tensorField_real = 0.0_pReal
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residuum ! store fPK field for subsequent FFT forward transform
call utilities_FFTtensorForward ! FFT forward of global "tensorField_real"
err_div = Utilities_divergenceRMS() ! divRMS of tensorField_fourier for later use
call utilities_fourierGammaConvolution(math_rotate_backward33(deltaF_aim,params%rotation_BC)) ! convolution of Gamma and tensorField_fourier, with arg
call utilities_FFTtensorBackward ! FFT backward of global tensorField_fourier
!--------------------------------------------------------------------------------------------------
! constructing residual
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
end subroutine grid_mech_spectral_basic_formResidual
!--------------------------------------------------------------------------------------------------
!> @brief convergence check
!--------------------------------------------------------------------------------------------------
@ -542,4 +453,96 @@ subroutine grid_mech_spectral_basic_forward(guess,timeinc,timeinc_old,loadCaseTi
end subroutine grid_mech_spectral_basic_forward
!--------------------------------------------------------------------------------------------------
!> @brief forms the basic residual vector
!--------------------------------------------------------------------------------------------------
subroutine formResidual(in, F, &
residuum, dummy, ierr)
use numerics, only: &
itmax, &
itmin
use mesh, only: &
grid, &
grid3
use math, only: &
math_rotate_backward33, &
math_mul3333xx33
use debug, only: &
debug_level, &
debug_spectral, &
debug_spectralRotation
use spectral_utilities, only: &
tensorField_real, &
utilities_FFTtensorForward, &
utilities_fourierGammaConvolution, &
utilities_FFTtensorBackward, &
utilities_constitutiveResponse, &
utilities_divergenceRMS
use IO, only: &
IO_intOut
use FEsolving, only: &
terminallyIll
implicit none
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in !< DMDA info (needs to be named "in" for macros like XRANGE to work)
PetscScalar, dimension(3,3,XG_RANGE,YG_RANGE,ZG_RANGE), &
intent(in) :: F !< deformation gradient field
PetscScalar, dimension(3,3,X_RANGE,Y_RANGE,Z_RANGE), &
intent(out) :: residuum !< residuum field
real(pReal), dimension(3,3) :: &
deltaF_aim
PetscInt :: &
PETScIter, &
nfuncs
PetscObject :: dummy
PetscErrorCode :: ierr
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1 ! new increment
!--------------------------------------------------------------------------------------------------
! begin of new iteration
newIteration: if (totalIter <= PETScIter) then
totalIter = totalIter + 1
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') &
trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim (lab) =', transpose(math_rotate_backward33(F_aim,params%rotation_BC))
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim =', transpose(F_aim)
flush(6)
endif newIteration
!--------------------------------------------------------------------------------------------------
! evaluate constitutive response
call Utilities_constitutiveResponse(residuum, & ! "residuum" gets field of first PK stress (to save memory)
P_av,C_volAvg,C_minMaxAvg, &
F,params%timeinc,params%rotation_BC)
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
!--------------------------------------------------------------------------------------------------
! stress BC handling
deltaF_aim = math_mul3333xx33(S, P_av - params%stress_BC)
F_aim = F_aim - deltaF_aim
err_BC = maxval(abs(params%stress_mask * (P_av - params%stress_BC))) ! mask = 0.0 when no stress bc
!--------------------------------------------------------------------------------------------------
! updated deformation gradient using fix point algorithm of basic scheme
tensorField_real = 0.0_pReal
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residuum ! store fPK field for subsequent FFT forward transform
call utilities_FFTtensorForward ! FFT forward of global "tensorField_real"
err_div = Utilities_divergenceRMS() ! divRMS of tensorField_fourier for later use
call utilities_fourierGammaConvolution(math_rotate_backward33(deltaF_aim,params%rotation_BC)) ! convolution of Gamma and tensorField_fourier, with arg
call utilities_FFTtensorBackward ! FFT backward of global tensorField_fourier
!--------------------------------------------------------------------------------------------------
! constructing residual
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
end subroutine formResidual
end module grid_mech_spectral_basic

352
src/grid_mech_spectral_polarisation.f90
View File

@ -2,7 +2,7 @@
!> @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
!> @brief Grid solver for mechanics: Spectral Polarisation
!--------------------------------------------------------------------------------------------------
module grid_mech_spectral_polarisation
#include <petsc/finclude/petscsnes.h>
@ -10,7 +10,6 @@ module grid_mech_spectral_polarisation
use PETScdmda
use PETScsnes
use prec, only: &
pInt, &
pReal
use math, only: &
math_I3
@ -51,7 +50,8 @@ module grid_mech_spectral_polarisation
F_av = 0.0_pReal, & !< average incompatible def grad field
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
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
@ -66,13 +66,15 @@ module grid_mech_spectral_polarisation
err_curl, & !< RMS of curl of F
err_div !< RMS of div of P
integer(pInt), private :: &
totalIter = 0_pInt !< total iteration in current increment
integer, private :: &
totalIter = 0 !< total iteration in current increment
public :: &
grid_mech_spectral_polarisation_init, &
grid_mech_spectral_polarisation_solution, &
grid_mech_spectral_polarisation_forward
private :: &
formResidual
contains
@ -99,9 +101,9 @@ subroutine grid_mech_spectral_polarisation_init
use DAMASK_interface, only: &
getSolverJobName
use spectral_utilities, only: &
Utilities_constitutiveResponse, &
Utilities_updateGamma, &
Utilities_updateIPcoords, &
utilities_constitutiveResponse, &
utilities_updateGamma, &
utilities_updateIPcoords, &
wgt
use mesh, only: &
grid, &
@ -123,7 +125,7 @@ subroutine grid_mech_spectral_polarisation_init
integer :: fileUnit
character(len=1024) :: rankStr
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverPolarisation init -+>>>'
write(6,'(/,a)') ' <<<+- grid_mech_spectral_polarisation init -+>>>'
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
@ -189,7 +191,6 @@ subroutine grid_mech_spectral_polarisation_init
read(fileUnit) F; close (fileUnit)
fileUnit = IO_open_jobFile_binary('F_lastInc'//trim(rankStr))
read(fileUnit) F_lastInc; close (fileUnit)
fileUnit = IO_open_jobFile_binary('F_tau'//trim(rankStr))
read(fileUnit) F_tau; close (fileUnit)
fileUnit = IO_open_jobFile_binary('F_tau_lastInc'//trim(rankStr))
@ -197,11 +198,11 @@ subroutine grid_mech_spectral_polarisation_init
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
call MPI_Allreduce(MPI_IN_PLACE,F_aim,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='F_aim')
if(ierr /=0) call IO_error(894, ext_msg='F_aim')
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
call MPI_Allreduce(MPI_IN_PLACE,F_aim_lastInc,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='F_aim_lastInc')
elseif (restartInc == 0_pInt) then restart
if(ierr /=0) call IO_error(894, ext_msg='F_aim_lastInc')
elseif (restartInc == 0) then restart
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
F_tau = 2.0_pReal*F
@ -214,12 +215,10 @@ subroutine grid_mech_spectral_polarisation_init
reshape(F,shape(F_lastInc)), & ! target F
0.0_pReal, & ! time increment
math_I3) ! no rotation of boundary condition
nullify(F)
nullify(F_tau)
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) ! write data back to PETSc
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) ! deassociate pointer
restartRead: if (restartInc > 0_pInt) then
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
restartRead: if (restartInc > 0) then
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0) &
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
'reading more values of increment ', restartInc, ' from file'
flush(6)
@ -250,8 +249,8 @@ function grid_mech_spectral_polarisation_solution(incInfoIn,timeinc,timeinc_old,
math_invSym3333
use spectral_utilities, only: &
tBoundaryCondition, &
Utilities_maskedCompliance, &
Utilities_updateGamma
utilities_maskedCompliance, &
utilities_updateGamma
use FEsolving, only: &
restartWrite, &
terminallyIll
@ -287,7 +286,7 @@ function grid_mech_spectral_polarisation_solution(incInfoIn,timeinc,timeinc_old,
endif
!--------------------------------------------------------------------------------------------------
! set module wide availabe data
! set module wide available data
params%stress_mask = stress_BC%maskFloat
params%stress_BC = stress_BC%values
params%rotation_BC = rotation_BC
@ -306,161 +305,10 @@ function grid_mech_spectral_polarisation_solution(incInfoIn,timeinc,timeinc_old,
solution%iterationsNeeded = totalIter
solution%termIll = terminallyIll
terminallyIll = .false.
if (reason == -4) call IO_error(893_pInt) ! MPI error
end function grid_mech_spectral_polarisation_solution
!--------------------------------------------------------------------------------------------------
!> @brief forms the Polarisation residual vector
!--------------------------------------------------------------------------------------------------
subroutine formResidual(in, & ! DMDA info (needs to be named "in" for XRANGE, etc. macros to work)
FandF_tau, & ! defgrad fields on grid
residuum, & ! residuum fields on grid
dummy, &
ierr)
use numerics, only: &
itmax, &
itmin, &
polarAlpha, &
polarBeta
use mesh, only: &
grid, &
grid3
use IO, only: &
IO_intOut
use math, only: &
math_rotate_backward33, &
math_mul3333xx33, &
math_invSym3333, &
math_mul33x33
use debug, only: &
debug_level, &
debug_spectral, &
debug_spectralRotation
use spectral_utilities, only: &
wgt, &
tensorField_real, &
utilities_FFTtensorForward, &
utilities_fourierGammaConvolution, &
utilities_FFTtensorBackward, &
Utilities_constitutiveResponse, &
Utilities_divergenceRMS, &
Utilities_curlRMS
use homogenization, only: &
materialpoint_dPdF
use FEsolving, only: &
terminallyIll
implicit none
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in
PetscScalar, &
target, dimension(3,3,2, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: FandF_tau
PetscScalar, &
target, dimension(3,3,2, X_RANGE, Y_RANGE, Z_RANGE), intent(out) :: residuum
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 => FandF_tau(1:3,1:3,1,&
XG_RANGE,YG_RANGE,ZG_RANGE)
F_tau => FandF_tau(1:3,1:3,2,&
XG_RANGE,YG_RANGE,ZG_RANGE)
residual_F => residuum(1:3,1:3,1,&
X_RANGE, Y_RANGE, Z_RANGE)
residual_F_tau => residuum(1:3,1:3,2,&
X_RANGE, Y_RANGE, Z_RANGE)
F_av = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt
call MPI_Allreduce(MPI_IN_PLACE,F_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
!--------------------------------------------------------------------------------------------------
! begin of new iteration
newIteration: if (totalIter <= PETScIter) then
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) =', transpose(math_rotate_backward33(F_aim,params%rotation_BC))
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim =', transpose(F_aim)
flush(6)
endif newIteration
!--------------------------------------------------------------------------------------------------
!
tensorField_real = 0.0_pReal
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
tensorField_real(1:3,1:3,i,j,k) = &
polarBeta*math_mul3333xx33(C_scale,F(1:3,1:3,i,j,k) - math_I3) -&
polarAlpha*math_mul33x33(F(1:3,1:3,i,j,k), &
math_mul3333xx33(C_scale,F_tau(1:3,1:3,i,j,k) - F(1:3,1:3,i,j,k) - math_I3))
enddo; enddo; enddo
!--------------------------------------------------------------------------------------------------
! doing convolution in Fourier space
call utilities_FFTtensorForward()
call utilities_fourierGammaConvolution(math_rotate_backward33(polarBeta*F_aim,params%rotation_BC))
call utilities_FFTtensorBackward()
!--------------------------------------------------------------------------------------------------
! constructing residual
residual_F_tau = polarBeta*F - tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3)
!--------------------------------------------------------------------------------------------------
! evaluate constitutive response
P_avLastEval = P_av
call Utilities_constitutiveResponse(residual_F,P_av,C_volAvg,C_minMaxAvg, &
F - residual_F_tau/polarBeta,params%timeinc,params%rotation_BC)
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
!--------------------------------------------------------------------------------------------------
! calculate divergence
tensorField_real = 0.0_pReal
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residual_F !< stress field in disguise
call utilities_FFTtensorForward()
err_div = Utilities_divergenceRMS() !< root mean squared error in divergence of stress
!--------------------------------------------------------------------------------------------------
! constructing residual
e = 0_pInt
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
e = e + 1_pInt
residual_F(1:3,1:3,i,j,k) = &
math_mul3333xx33(math_invSym3333(materialpoint_dPdF(1:3,1:3,1:3,1:3,1,e) + C_scale), &
residual_F(1:3,1:3,i,j,k) - math_mul33x33(F(1:3,1:3,i,j,k), &
math_mul3333xx33(C_scale,F_tau(1:3,1:3,i,j,k) - F(1:3,1:3,i,j,k) - math_I3))) &
+ residual_F_tau(1:3,1:3,i,j,k)
enddo; enddo; enddo
!--------------------------------------------------------------------------------------------------
! calculating curl
tensorField_real = 0.0_pReal
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = F
call utilities_FFTtensorForward()
err_curl = Utilities_curlRMS()
nullify(F)
nullify(F_tau)
nullify(residual_F)
nullify(residual_F_tau)
end subroutine formResidual
!--------------------------------------------------------------------------------------------------
!> @brief convergence check
!--------------------------------------------------------------------------------------------------
@ -483,9 +331,9 @@ subroutine grid_mech_spectral_polarisation_converged(snes_local,PETScIter,xnorm,
SNES :: snes_local
PetscInt :: PETScIter
PetscReal :: &
xnorm, &
snorm, &
fnorm
xnorm, & ! not used
snorm, & ! not used
fnorm ! not used
SNESConvergedReason :: reason
PetscObject :: dummy
PetscErrorCode :: ierr
@ -552,9 +400,9 @@ subroutine grid_mech_spectral_polarisation_forward(guess,timeinc,timeinc_old,loa
use CPFEM2, only: &
CPFEM_age
use spectral_utilities, only: &
Utilities_calculateRate, &
Utilities_forwardField, &
Utilities_updateIPcoords, &
utilities_calculateRate, &
utilities_forwardField, &
utilities_updateIPcoords, &
tBoundaryCondition, &
cutBack
use IO, only: &
@ -576,7 +424,7 @@ subroutine grid_mech_spectral_polarisation_forward(guess,timeinc,timeinc_old,loa
rotation_BC
PetscErrorCode :: ierr
PetscScalar, dimension(:,:,:,:), pointer :: FandF_tau, F, F_tau
integer(pInt) :: i, j, k
integer :: i, j, k
real(pReal), dimension(3,3) :: F_lambda33
integer :: fileUnit
@ -664,7 +512,7 @@ subroutine grid_mech_spectral_polarisation_forward(guess,timeinc,timeinc_old,loa
F_tau = reshape(Utilities_forwardField(timeinc,F_tau_lastInc,F_taudot), &
[9,grid(1),grid(2),grid3]) ! does not have any average value as boundary condition
else
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
do k = 1, grid3; do j = 1, grid(2); do i = 1, grid(1)
F_lambda33 = reshape(F_tau(1:9,i,j,k)-F(1:9,i,j,k),[3,3])
F_lambda33 = math_mul3333xx33(S_scale,math_mul33x33(F_lambda33, &
math_mul3333xx33(C_scale,&
@ -681,4 +529,148 @@ subroutine grid_mech_spectral_polarisation_forward(guess,timeinc,timeinc_old,loa
end subroutine grid_mech_spectral_polarisation_forward
!--------------------------------------------------------------------------------------------------
!> @brief forms the polarisation residual vector
!--------------------------------------------------------------------------------------------------
subroutine formResidual(in, FandF_tau, &
residuum, dummy,ierr)
use numerics, only: &
itmax, &
itmin, &
polarAlpha, &
polarBeta
use mesh, only: &
grid, &
grid3
use IO, only: &
IO_intOut
use math, only: &
math_rotate_backward33, &
math_mul3333xx33, &
math_invSym3333, &
math_mul33x33
use debug, only: &
debug_level, &
debug_spectral, &
debug_spectralRotation
use spectral_utilities, only: &
wgt, &
tensorField_real, &
utilities_FFTtensorForward, &
utilities_fourierGammaConvolution, &
utilities_FFTtensorBackward, &
Utilities_constitutiveResponse, &
Utilities_divergenceRMS, &
Utilities_curlRMS
use homogenization, only: &
materialpoint_dPdF
use FEsolving, only: &
terminallyIll
implicit none
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in !< DMDA info (needs to be named "in" for macros like XRANGE to work)
PetscScalar, dimension(3,3,2, XG_RANGE,YG_RANGE,ZG_RANGE), &
target, intent(in) :: FandF_tau
PetscScalar, dimension(3,3,2, X_RANGE, Y_RANGE, Z_RANGE),&
target, intent(out) :: residuum !< residuum field
PetscScalar, pointer, dimension(:,:,:,:,:) :: &
F, &
F_tau, &
residual_F, &
residual_F_tau
PetscInt :: &
PETScIter, &
nfuncs
PetscObject :: dummy
PetscErrorCode :: ierr
integer :: &
i, j, k, e
F => FandF_tau(1:3,1:3,1,&
XG_RANGE,YG_RANGE,ZG_RANGE)
F_tau => FandF_tau(1:3,1:3,2,&
XG_RANGE,YG_RANGE,ZG_RANGE)
residual_F => residuum(1:3,1:3,1,&
X_RANGE, Y_RANGE, Z_RANGE)
residual_F_tau => residuum(1:3,1:3,2,&
X_RANGE, Y_RANGE, Z_RANGE)
F_av = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt
call MPI_Allreduce(MPI_IN_PLACE,F_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1 ! new increment
!--------------------------------------------------------------------------------------------------
! begin of new iteration
newIteration: if (totalIter <= PETScIter) then
totalIter = totalIter + 1
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') &
trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim (lab) =', transpose(math_rotate_backward33(F_aim,params%rotation_BC))
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim =', transpose(F_aim)
flush(6)
endif newIteration
!--------------------------------------------------------------------------------------------------
!
tensorField_real = 0.0_pReal
do k = 1, grid3; do j = 1, grid(2); do i = 1, grid(1)
tensorField_real(1:3,1:3,i,j,k) = &
polarBeta*math_mul3333xx33(C_scale,F(1:3,1:3,i,j,k) - math_I3) -&
polarAlpha*math_mul33x33(F(1:3,1:3,i,j,k), &
math_mul3333xx33(C_scale,F_tau(1:3,1:3,i,j,k) - F(1:3,1:3,i,j,k) - math_I3))
enddo; enddo; enddo
!--------------------------------------------------------------------------------------------------
! doing convolution in Fourier space
call utilities_FFTtensorForward()
call utilities_fourierGammaConvolution(math_rotate_backward33(polarBeta*F_aim,params%rotation_BC))
call utilities_FFTtensorBackward()
!--------------------------------------------------------------------------------------------------
! constructing residual
residual_F_tau = polarBeta*F - tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3)
!--------------------------------------------------------------------------------------------------
! evaluate constitutive response
P_avLastEval = P_av
call Utilities_constitutiveResponse(residual_F, & ! "residuum" gets field of first PK stress (to save memory)
P_av,C_volAvg,C_minMaxAvg, &
F - residual_F_tau/polarBeta,params%timeinc,params%rotation_BC)
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
!--------------------------------------------------------------------------------------------------
! calculate divergence
tensorField_real = 0.0_pReal
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residual_F !< stress field in disguise
call utilities_FFTtensorForward()
err_div = Utilities_divergenceRMS() !< root mean squared error in divergence of stress
!--------------------------------------------------------------------------------------------------
! constructing residual
e = 0
do k = 1, grid3; do j = 1, grid(2); do i = 1, grid(1)
e = e + 1
residual_F(1:3,1:3,i,j,k) = &
math_mul3333xx33(math_invSym3333(materialpoint_dPdF(1:3,1:3,1:3,1:3,1,e) + C_scale), &
residual_F(1:3,1:3,i,j,k) - math_mul33x33(F(1:3,1:3,i,j,k), &
math_mul3333xx33(C_scale,F_tau(1:3,1:3,i,j,k) - F(1:3,1:3,i,j,k) - math_I3))) &
+ residual_F_tau(1:3,1:3,i,j,k)
enddo; enddo; enddo
!--------------------------------------------------------------------------------------------------
! calculating curl
tensorField_real = 0.0_pReal
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = F
call utilities_FFTtensorForward()
err_curl = Utilities_curlRMS()
end subroutine formResidual
end module grid_mech_spectral_polarisation