Merge branch 'development' into 3-adding-plastic-constitutive-law-with-kinematic-hardening

This commit is contained in:
Martin Diehl 2018-05-04 16:07:15 +02:00
commit 9072179c61
5 changed files with 4 additions and 747 deletions

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@ -1 +1 @@
v2.0.1-1138-gfcac08c v2.0.1-1144-g5f28fa0

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@ -67,7 +67,7 @@ maxCutBack 3 # maximum cut back level (0: 1, 1: 0.5, 2
memory_efficient 1 # Precalculate Gamma-operator (81 double per point) memory_efficient 1 # Precalculate Gamma-operator (81 double per point)
update_gamma 0 # Update Gamma-operator with current dPdF (not possible if memory_efficient=1) update_gamma 0 # Update Gamma-operator with current dPdF (not possible if memory_efficient=1)
divergence_correction 2 # Use size-independent divergence criterion divergence_correction 2 # Use size-independent divergence criterion
spectralsolver basicPETSc # Type of spectral solver (basicPETSc: basic with PETSc, AL: augmented Lagrange) spectralsolver basicPETSc # Type of spectral solver (basicPETSc/polarisation)
spectralfilter none # Type of filtering method to mitigate Gibb's phenomenon (none, cosine, ...) spectralfilter none # Type of filtering method to mitigate Gibb's phenomenon (none, cosine, ...)
petsc_options -snes_type ngmres -snes_ngmres_anderson # PetSc solver options petsc_options -snes_type ngmres -snes_ngmres_anderson # PetSc solver options
regridMode 0 # 0: no regrid; 1: regrid if DAMASK doesn't converge; 2: regrid if DAMASK or BVP Solver doesn't converge regridMode 0 # 0: no regrid; 1: regrid if DAMASK doesn't converge; 2: regrid if DAMASK or BVP Solver doesn't converge

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@ -166,7 +166,6 @@ if ("${PROJECT_NAME}" STREQUAL "DAMASK_spectral")
add_library(SPECTRAL_SOLVER OBJECT add_library(SPECTRAL_SOLVER OBJECT
"spectral_thermal.f90" "spectral_thermal.f90"
"spectral_damage.f90" "spectral_damage.f90"
"spectral_mech_AL.f90"
"spectral_mech_Polarisation.f90" "spectral_mech_Polarisation.f90"
"spectral_mech_Basic.f90") "spectral_mech_Basic.f90")
add_dependencies(SPECTRAL_SOLVER SPECTRAL_UTILITIES) add_dependencies(SPECTRAL_SOLVER SPECTRAL_UTILITIES)

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@ -80,7 +80,6 @@ program DAMASK_spectral
FIELD_THERMAL_ID, & FIELD_THERMAL_ID, &
FIELD_DAMAGE_ID FIELD_DAMAGE_ID
use spectral_mech_Basic use spectral_mech_Basic
use spectral_mech_AL
use spectral_mech_Polarisation use spectral_mech_Polarisation
use spectral_damage use spectral_damage
use spectral_thermal use spectral_thermal
@ -367,10 +366,6 @@ program DAMASK_spectral
select case (spectral_solver) select case (spectral_solver)
case (DAMASK_spectral_SolverBasicPETSc_label) case (DAMASK_spectral_SolverBasicPETSc_label)
call basicPETSc_init call basicPETSc_init
case (DAMASK_spectral_SolverAL_label)
if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) &
call IO_warning(42_pInt, ext_msg='debug Divergence')
call AL_init
case (DAMASK_spectral_SolverPolarisation_label) case (DAMASK_spectral_SolverPolarisation_label)
if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) & if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) &
@ -534,12 +529,7 @@ program DAMASK_spectral
deformation_BC = loadCases(currentLoadCase)%deformation, & deformation_BC = loadCases(currentLoadCase)%deformation, &
stress_BC = loadCases(currentLoadCase)%stress, & stress_BC = loadCases(currentLoadCase)%stress, &
rotation_BC = loadCases(currentLoadCase)%rotation) rotation_BC = loadCases(currentLoadCase)%rotation)
case (DAMASK_spectral_SolverAL_label)
call AL_forward (&
guess,timeinc,timeIncOld,remainingLoadCaseTime, &
deformation_BC = loadCases(currentLoadCase)%deformation, &
stress_BC = loadCases(currentLoadCase)%stress, &
rotation_BC = loadCases(currentLoadCase)%rotation)
case (DAMASK_spectral_SolverPolarisation_label) case (DAMASK_spectral_SolverPolarisation_label)
call Polarisation_forward (& call Polarisation_forward (&
guess,timeinc,timeIncOld,remainingLoadCaseTime, & guess,timeinc,timeIncOld,remainingLoadCaseTime, &
@ -568,12 +558,6 @@ program DAMASK_spectral
stress_BC = loadCases(currentLoadCase)%stress, & stress_BC = loadCases(currentLoadCase)%stress, &
rotation_BC = loadCases(currentLoadCase)%rotation) rotation_BC = loadCases(currentLoadCase)%rotation)
case (DAMASK_spectral_SolverAL_label)
solres(field) = AL_solution (&
incInfo,timeinc,timeIncOld, &
stress_BC = loadCases(currentLoadCase)%stress, &
rotation_BC = loadCases(currentLoadCase)%rotation)
case (DAMASK_spectral_SolverPolarisation_label) case (DAMASK_spectral_SolverPolarisation_label)
solres(field) = Polarisation_solution (& solres(field) = Polarisation_solution (&
incInfo,timeinc,timeIncOld, & incInfo,timeinc,timeIncOld, &
@ -702,8 +686,6 @@ subroutine quit(stop_id)
pInt pInt
use spectral_mech_Basic, only: & use spectral_mech_Basic, only: &
BasicPETSC_destroy BasicPETSC_destroy
use spectral_mech_AL, only: &
AL_destroy
use spectral_mech_Polarisation, only: & use spectral_mech_Polarisation, only: &
Polarisation_destroy Polarisation_destroy
use spectral_damage, only: & use spectral_damage, only: &
@ -727,7 +709,6 @@ subroutine quit(stop_id)
MPI_finalize MPI_finalize
call BasicPETSC_destroy() call BasicPETSC_destroy()
call AL_destroy()
call Polarisation_destroy() call Polarisation_destroy()
call spectral_damage_destroy() call spectral_damage_destroy()
call spectral_thermal_destroy() call spectral_thermal_destroy()

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@ -1,723 +0,0 @@
!--------------------------------------------------------------------------------------------------
!> @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 AL scheme solver
!--------------------------------------------------------------------------------------------------
module spectral_mech_AL
use prec, only: &
pInt, &
pReal
use math, only: &
math_I3
use spectral_utilities, only: &
tSolutionState, &
tSolutionParams
implicit none
private
#include <petsc/finclude/petsc.h90>
character (len=*), parameter, public :: &
DAMASK_spectral_solverAL_label = 'al'
!--------------------------------------------------------------------------------------------------
! derived types
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_lambda_lastInc, & !< field of previous incompatible deformation gradient
Fdot, & !< field of assumed rate of compatible deformation gradient
F_lambdaDot !< field of assumed rate of incopatible deformation gradient
!--------------------------------------------------------------------------------------------------
! stress, stiffness and compliance average etc.
real(pReal), private, dimension(3,3) :: &
F_aimDot = 0.0_pReal, & !< assumed rate of average deformation gradient
F_aim = math_I3, & !< current prescribed deformation gradient
F_aim_lastInc = math_I3, & !< previous average deformation gradient
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
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
C_minMaxAvgLastInc = 0.0_pReal, & !< previous (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_BC, & !< deviation from stress BC
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
public :: &
AL_init, &
AL_solution, &
AL_forward, &
AL_destroy
external :: &
PETScFinalize, &
MPI_Abort, &
MPI_Bcast, &
MPI_Allreduce
contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates all necessary fields and fills them with data, potentially from restart info
!> @todo use sourced allocation, e.g. allocate(Fdot,source = F_lastInc)
!--------------------------------------------------------------------------------------------------
subroutine AL_init
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: &
IO_intOut, &
IO_read_realFile, &
IO_timeStamp
use debug, only: &
debug_level, &
debug_spectral, &
debug_spectralRestart
use FEsolving, only: &
restartInc
use numerics, only: &
worldrank, &
worldsize
use homogenization, only: &
materialpoint_F0
use DAMASK_interface, only: &
getSolverJobName
use spectral_utilities, only: &
Utilities_constitutiveResponse, &
Utilities_updateGamma, &
Utilities_updateIPcoords, &
wgt
use mesh, only: &
grid, &
grid3
use math, only: &
math_invSym3333
implicit none
real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: P
real(pReal), dimension(3,3) :: &
temp33_Real = 0.0_pReal
PetscErrorCode :: ierr
PetscScalar, pointer, dimension(:,:,:,:) :: &
FandF_lambda, & ! overall pointer to solution data
F, & ! specific (sub)pointer
F_lambda ! specific (sub)pointer
integer(pInt), dimension(:), allocatable :: localK
integer(pInt) :: proc
character(len=1024) :: rankStr
external :: &
SNESCreate, &
SNESSetOptionsPrefix, &
DMDACreate3D, &
SNESSetDM, &
DMCreateGlobalVector, &
DMDASNESSetFunctionLocal, &
SNESGetConvergedReason, &
SNESSetConvergenceTest, &
SNESSetFromOptions
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverAL init -+>>>'
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity, 66:3145, 2015'
write(6,'(/,a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
!--------------------------------------------------------------------------------------------------
! allocate global fields
allocate (F_lastInc (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
allocate (Fdot (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
allocate (F_lambda_lastInc(3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
allocate (F_lambdaDot (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
!--------------------------------------------------------------------------------------------------
! initialize solver specific parts of PETSc
call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr)
allocate(localK(worldsize), source = 0); localK(worldrank+1) = grid3
do proc = 1, worldsize
call MPI_Bcast(localK(proc),1,MPI_INTEGER,proc-1,PETSC_COMM_WORLD,ierr)
enddo
call DMDACreate3d(PETSC_COMM_WORLD, &
DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary
DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point
grid(1),grid(2),grid(3), & ! global grid
1 , 1, worldsize, &
18, 0, & ! #dof (F tensor), ghost boundary width (domain overlap)
grid(1),grid(2),localK, & ! local grid
da,ierr) ! handle, error
CHKERRQ(ierr)
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) ! connect snes to da
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,AL_formResidual,PETSC_NULL_OBJECT,ierr) ! residual vector of same shape as solution vector
CHKERRQ(ierr)
call SNESSetConvergenceTest(snes,AL_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
CHKERRQ(ierr)
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
!--------------------------------------------------------------------------------------------------
! init fields
call DMDAVecGetArrayF90(da,solution_vec,FandF_lambda,ierr); CHKERRQ(ierr) ! places pointer on PETSc data
F => FandF_lambda( 0: 8,:,:,:)
F_lambda => FandF_lambda( 9:17,:,:,:)
restart: if (restartInc > 0_pInt) then
if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0) then
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
'reading values of increment ', restartInc, ' from file'
flush(6)
endif
write(rankStr,'(a1,i0)')'_',worldrank
call IO_read_realFile(777,'F'//trim(rankStr),trim(getSolverJobName()),size(F))
read (777,rec=1) F; close (777)
call IO_read_realFile(777,'F_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lastInc))
read (777,rec=1) F_lastInc; close (777)
call IO_read_realFile(777,'F_lambda'//trim(rankStr),trim(getSolverJobName()),size(F_lambda))
read (777,rec=1) F_lambda; close (777)
call IO_read_realFile(777,'F_lambda_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lambda_lastInc))
read (777,rec=1) F_lambda_lastInc; close (777)
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(F_aimDot))
read (777,rec=1) F_aimDot; 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
elseif (restartInc == 0_pInt) 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_lambda = F
F_lambda_lastInc = F_lastInc
endif restart
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
reshape(F,shape(F_lastInc)), & ! target F
0.0_pReal, & ! time increment
math_I3) ! no rotation of boundary condition
nullify(F)
nullify(F_lambda)
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_lambda,ierr); CHKERRQ(ierr) ! write data back to PETSc
restartRead: if (restartInc > 0_pInt) then
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
'reading more values of increment ', restartInc, ' from file'
flush(6)
call IO_read_realFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg))
read (777,rec=1) C_volAvg; close (777)
call IO_read_realFile(777,'C_volAvgLastInc',trim(getSolverJobName()),size(C_volAvgLastInc))
read (777,rec=1) C_volAvgLastInc; close (777)
call IO_read_realFile(777,'C_ref',trim(getSolverJobName()),size(C_minMaxAvg))
read (777,rec=1) C_minMaxAvg; close (777)
endif restartRead
call Utilities_updateGamma(C_minMaxAvg,.true.)
C_scale = C_minMaxAvg
S_scale = math_invSym3333(C_minMaxAvg)
end subroutine AL_init
!--------------------------------------------------------------------------------------------------
!> @brief solution for the AL scheme with internal iterations
!--------------------------------------------------------------------------------------------------
type(tSolutionState) function AL_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC)
use IO, only: &
IO_error
use numerics, only: &
update_gamma
use math, only: &
math_invSym3333
use spectral_utilities, only: &
tBoundaryCondition, &
Utilities_maskedCompliance, &
Utilities_updateGamma
use FEsolving, only: &
restartWrite, &
terminallyIll
implicit none
!--------------------------------------------------------------------------------------------------
! input data for solution
character(len=*), intent(in) :: &
incInfoIn
real(pReal), intent(in) :: &
timeinc, & !< increment time for current solution
timeinc_old !< increment time of last successful increment
type(tBoundaryCondition), intent(in) :: &
stress_BC
real(pReal), dimension(3,3), intent(in) :: rotation_BC
!--------------------------------------------------------------------------------------------------
! PETSc Data
PetscErrorCode :: ierr
SNESConvergedReason :: reason
external :: &
SNESSolve, &
SNESGetConvergedReason
incInfo = incInfoIn
!--------------------------------------------------------------------------------------------------
! update stiffness (and gamma operator)
S = Utilities_maskedCompliance(rotation_BC,stress_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
!--------------------------------------------------------------------------------------------------
! set module wide availabe data
mask_stress = stress_BC%maskFloat
params%stress_BC = stress_BC%values
params%rotation_BC = rotation_BC
params%timeinc = timeinc
params%timeincOld = timeinc_old
!--------------------------------------------------------------------------------------------------
! solve BVP
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr); CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------
! check convergence
call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
AL_solution%converged = reason > 0
AL_solution%iterationsNeeded = totalIter
AL_solution%termIll = terminallyIll
terminallyIll = .false.
if (reason == -4) call IO_error(893_pInt) ! MPI error
end function AL_solution
!--------------------------------------------------------------------------------------------------
!> @brief forms the AL residual vector
!--------------------------------------------------------------------------------------------------
subroutine AL_formResidual(in,x_scal,f_scal,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_transpose33, &
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) :: x_scal !< what is this?
PetscScalar, &
target, dimension(3,3,2, X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: f_scal !< what is this?
PetscScalar, pointer, dimension(:,:,:,:,:) :: &
F, &
F_lambda, &
residual_F, &
residual_F_lambda
PetscInt :: &
PETScIter, &
nfuncs
PetscObject :: dummy
PetscErrorCode :: ierr
integer(pInt) :: &
i, j, k, e
external :: &
SNESGetNumberFunctionEvals, &
SNESGetIterationNumber
F => x_scal(1:3,1:3,1,&
XG_RANGE,YG_RANGE,ZG_RANGE)
F_lambda => 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_lambda => f_scal(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) =', 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 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_lambda(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 F_lambda residual
residual_F_lambda = polarBeta*F - tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) !< eq (16) in doi: 10.1016/j.ijplas.2014.02.006
!--------------------------------------------------------------------------------------------------
! evaluate constitutive response
P_avLastEval = P_av
call Utilities_constitutiveResponse(residual_F,P_av,C_volAvg,C_minMaxAvg, &
F - residual_F_lambda/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_lambda(1:3,1:3,i,j,k) - math_I3))) &
+ residual_F_lambda(1:3,1:3,i,j,k) !< eq (16) in doi: 10.1016/j.ijplas.2014.02.006
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_lambda)
nullify(residual_F)
nullify(residual_F_lambda)
end subroutine AL_formResidual
!--------------------------------------------------------------------------------------------------
!> @brief convergence check
!--------------------------------------------------------------------------------------------------
subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
use numerics, only: &
itmax, &
itmin, &
err_div_tolRel, &
err_div_tolAbs, &
err_curl_tolRel, &
err_curl_tolAbs, &
err_stress_tolRel, &
err_stress_tolAbs
use math, only: &
math_mul3333xx33
use FEsolving, only: &
terminallyIll
implicit none
SNES :: snes_local
PetscInt :: PETScIter
PetscReal :: &
xnorm, &
snorm, &
fnorm
SNESConvergedReason :: reason
PetscObject :: dummy
PetscErrorCode :: ierr
real(pReal) :: &
curlTol, &
divTol, &
BCTol
!--------------------------------------------------------------------------------------------------
! stress BC handling
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc
err_BC = maxval(abs((1.0_pReal-mask_stress) * math_mul3333xx33(C_scale,F_aim-F_av) + &
mask_stress * (P_av-params%stress_BC))) ! mask = 0.0 for no bc
!--------------------------------------------------------------------------------------------------
! error calculation
curlTol = max(maxval(abs(F_aim-math_I3))*err_curl_tolRel ,err_curl_tolAbs)
divTol = max(maxval(abs(P_av)) *err_div_tolRel ,err_div_tolAbs)
BCTol = max(maxval(abs(P_av)) *err_stress_tolRel,err_stress_tolAbs)
converged: if ((totalIter >= itmin .and. &
all([ err_div /divTol, &
err_curl/curlTol, &
err_BC /BCTol ] < 1.0_pReal)) &
.or. terminallyIll) then
reason = 1
elseif (totalIter >= itmax) then converged
reason = -1
else converged
reason = 0
endif converged
!--------------------------------------------------------------------------------------------------
! report
write(6,'(1/,a)') ' ... reporting .............................................................'
write(6,'(/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
err_div/divTol, ' (',err_div, ' / m, tol = ',divTol,')'
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', &
err_curl/curlTol,' (',err_curl,' -, tol = ',curlTol,')'
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', &
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
write(6,'(/,a)') ' ==========================================================================='
flush(6)
end subroutine AL_converged
!--------------------------------------------------------------------------------------------------
!> @brief forwarding routine
!> @details find new boundary conditions and best F estimate for end of current timestep
!> possibly writing restart information, triggering of state increment in DAMASK, and updating of IPcoordinates
!--------------------------------------------------------------------------------------------------
subroutine AL_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
use math, only: &
math_mul33x33, &
math_mul3333xx33, &
math_transpose33, &
math_rotate_backward33
use numerics, only: &
worldrank
use homogenization, only: &
materialpoint_F0
use mesh, only: &
grid, &
grid3
use CPFEM2, only: &
CPFEM_age
use spectral_utilities, only: &
Utilities_calculateRate, &
Utilities_forwardField, &
Utilities_updateIPcoords, &
tBoundaryCondition, &
cutBack
use IO, only: &
IO_write_JobRealFile
use FEsolving, only: &
restartWrite
implicit none
logical, intent(in) :: &
guess
real(pReal), intent(in) :: &
timeinc_old, &
timeinc, &
loadCaseTime !< remaining time of current load case
type(tBoundaryCondition), intent(in) :: &
stress_BC, &
deformation_BC
real(pReal), dimension(3,3), intent(in) ::&
rotation_BC
PetscErrorCode :: ierr
PetscScalar, dimension(:,:,:,:), pointer :: FandF_lambda, F, F_lambda
integer(pInt) :: i, j, k
real(pReal), dimension(3,3) :: F_lambda33
character(len=32) :: rankStr
!--------------------------------------------------------------------------------------------------
! update coordinates and rate and forward last inc
call DMDAVecGetArrayF90(da,solution_vec,FandF_lambda,ierr); CHKERRQ(ierr)
F => FandF_lambda( 0: 8,:,:,:)
F_lambda => FandF_lambda( 9:17,:,:,:)
if (cutBack) then
C_volAvg = C_volAvgLastInc ! QUESTION: where is this required?
C_minMaxAvg = C_minMaxAvgLastInc ! QUESTION: where is this required?
else
!--------------------------------------------------------------------------------------------------
! restart information for spectral solver
if (restartWrite) then ! QUESTION: where is this logical properly set?
write(6,'(/,a)') ' writing converged results for restart'
flush(6)
if (worldrank == 0_pInt) then
call IO_write_jobRealFile(777,'C_volAvg',size(C_volAvg))
write (777,rec=1) C_volAvg; close(777)
call IO_write_jobRealFile(777,'C_volAvgLastInc',size(C_volAvgLastInc))
write (777,rec=1) C_volAvgLastInc; close(777)
! call IO_write_jobRealFile(777,'C_minMaxAvg',size(C_volAvg))
! write (777,rec=1) C_minMaxAvg; close(777)
! call IO_write_jobRealFile(777,'C_minMaxAvgLastInc',size(C_volAvgLastInc))
! write (777,rec=1) C_minMaxAvgLastInc; close(777)
call IO_write_jobRealFile(777,'F_aimDot',size(F_aimDot))
write (777,rec=1) F_aimDot; close(777)
endif
write(rankStr,'(a1,i0)')'_',worldrank
call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file
write (777,rec=1) F; close (777)
call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file
write (777,rec=1) F_lastInc; close (777)
call IO_write_jobRealFile(777,'F_lambda'//trim(rankStr),size(F_lambda)) ! writing deformation gradient field to file
write (777,rec=1) F_lambda; close (777)
call IO_write_jobRealFile(777,'F_lambda_lastInc'//trim(rankStr),size(F_lambda_lastInc)) ! writing F_lastInc field to file
write (777,rec=1) F_lambda_lastInc; close (777)
endif
call CPFEM_age() ! age state and kinematics
call utilities_updateIPcoords(F)
C_volAvgLastInc = C_volAvg
C_minMaxAvgLastInc = C_minMaxAvg
if (guess) then ! QUESTION: better with a = L ? x:y
F_aimDot = stress_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old ! initialize with correction based on last inc
else
F_aimDot = 0.0_pReal
endif
F_aim_lastInc = F_aim
!--------------------------------------------------------------------------------------------------
! calculate rate for aim
if (deformation_BC%myType=='l') then ! calculate F_aimDot from given L and current F
F_aimDot = &
F_aimDot + deformation_BC%maskFloat * math_mul33x33(deformation_BC%values, F_aim_lastInc)
elseif(deformation_BC%myType=='fdot') then ! F_aimDot is prescribed
F_aimDot = &
F_aimDot + deformation_BC%maskFloat * deformation_BC%values
elseif (deformation_BC%myType=='f') then ! aim at end of load case is prescribed
F_aimDot = &
F_aimDot + deformation_BC%maskFloat * (deformation_BC%values - F_aim_lastInc)/loadCaseTime
endif
Fdot = Utilities_calculateRate(guess, &
F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]),timeinc_old, &
math_rotate_backward33(F_aimDot,rotation_BC))
F_lambdaDot = Utilities_calculateRate(guess, &
F_lambda_lastInc,reshape(F_lambda,[3,3,grid(1),grid(2),grid3]), timeinc_old, &
math_rotate_backward33(F_aimDot,rotation_BC))
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3]) ! winding F forward
F_lambda_lastInc = reshape(F_lambda, [3,3,grid(1),grid(2),grid3]) ! winding F_lambda forward
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
endif
!--------------------------------------------------------------------------------------------------
! update average and local deformation gradients
F_aim = F_aim_lastInc + F_aimDot * timeinc
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average
math_rotate_backward33(F_aim,rotation_BC)),&
[9,grid(1),grid(2),grid3])
if (guess) then
F_lambda = reshape(Utilities_forwardField(timeinc,F_lambda_lastInc,F_lambdadot), &
[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)
F_lambda33 = reshape(F_lambda(1:9,i,j,k),[3,3])
F_lambda33 = math_mul3333xx33(S_scale,math_mul33x33(F_lambda33, &
math_mul3333xx33(C_scale,&
math_mul33x33(math_transpose33(F_lambda33),&
F_lambda33) -math_I3))*0.5_pReal)&
+ math_I3
F_lambda(1:9,i,j,k) = reshape(F_lambda33,[9])
enddo; enddo; enddo
endif
nullify(F)
nullify(F_lambda)
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_lambda,ierr); CHKERRQ(ierr)
end subroutine AL_forward
!--------------------------------------------------------------------------------------------------
!> @brief destroy routine
!--------------------------------------------------------------------------------------------------
subroutine AL_destroy()
use spectral_utilities, only: &
Utilities_destroy
implicit none
PetscErrorCode :: ierr
external :: &
VecDestroy, &
SNESDestroy, &
DMDestroy
call VecDestroy(solution_vec,ierr); CHKERRQ(ierr)
call SNESDestroy(snes,ierr); CHKERRQ(ierr)
call DMDestroy(da,ierr); CHKERRQ(ierr)
end subroutine AL_destroy
end module spectral_mech_AL