223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

decoupled compatibility/equilibrium calculation from stress BC correction. needs more iteration for mildly contrasted materials, but there the basic scheme is better suited anyway. but now converges better for highly contrasted VEs

This commit is contained in:
Martin Diehl 2013-07-23 17:42:15 +00:00
parent d2ccc06aee
commit ebe8361af0
1 changed files with 79 additions and 68 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

147
code/DAMASK_spectral_solverAL.f90
View File

@ -76,8 +76,9 @@ module DAMASK_spectral_solverAL
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 = 0.0_pReal, C_minmaxAvg = 0.0_pReal, & !< current average stiffness
C_lastInc = 0.0_pReal, & !< previous average stiffness
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
@ -87,7 +88,9 @@ module DAMASK_spectral_solverAL
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 :: reportIter = 0_pInt
integer(pInt), private :: &
currIter = 0_pInt, & !< helper to count total iteration correctly
totalIter = 0_pInt !< total iteration in current increment
public :: &
AL_init, &
@ -226,14 +229,14 @@ subroutine AL_init(temperature)
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',trim(getSolverJobName()),size(C))
read (777,rec=1) C
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_lastInc',trim(getSolverJobName()),size(C_lastInc))
read (777,rec=1) C_lastInc
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
read (777,rec=1) C_minMaxAvg
close (777)
endif
mesh_ipCoordinates = reshape(mesh_deformedCoordsFFT(geomSize,reshape(&
@ -245,8 +248,8 @@ subroutine AL_init(temperature)
!--------------------------------------------------------------------------------------------------
! reference stiffness
if (restartInc == 1_pInt) then ! use initial stiffness as reference stiffness
C_minmaxAvg = temp3333_Real2
C = temp3333_Real
C_minMaxAvg = temp3333_Real2
C_volAvg = temp3333_Real
endif
call Utilities_updateGamma(temp3333_Real2,.True.)
@ -263,12 +266,15 @@ type(tSolutionState) function &
AL_solution(incInfoIn,guess,timeinc,timeinc_old,loadCaseTime,P_BC,F_BC,temperature_bc,rotation_BC)
use numerics, only: &
update_gamma, &
itmax
itmax, &
err_stress_tolrel, &
err_stress_tolabs
use math, only: &
math_mul33x33 ,&
math_mul3333xx33, &
math_rotate_backward33, &
math_invSym3333
use mesh, only: &
use mesh, only: &
mesh_ipCoordinates, &
mesh_deformedCoordsFFT
use IO, only: &
@ -305,15 +311,14 @@ use mesh, only: &
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
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,:,:,:)
@ -338,11 +343,11 @@ use mesh, only: &
call IO_write_jobBinaryFile(777,'F_aimDot',size(F_aimDot))
write (777,rec=1) F_aimDot
close(777)
call IO_write_jobBinaryFile(777,'C',size(C))
write (777,rec=1) C
call IO_write_jobBinaryFile(777,'C_volAvg',size(C_volAvg))
write (777,rec=1) C_volAvg
close(777)
call IO_write_jobBinaryFile(777,'C_lastInc',size(C_lastInc))
write (777,rec=1) C_lastInc
call IO_write_jobBinaryFile(777,'C_volAvgLastInc',size(C_volAvgLastInc))
write (777,rec=1) C_volAvgLastInc
close(777)
endif
AL_solution%converged =.false.
@ -351,9 +356,9 @@ use mesh, only: &
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 = C_lastInc
C_volAvg = C_volAvgLastInc
else
C_lastInc = C
C_volAvgLastInc = C_volAvg
!--------------------------------------------------------------------------------------------------
! calculate rate for aim
if (F_BC%myType=='l') then ! calculate f_aimDot from given L and current F
@ -390,11 +395,11 @@ use mesh, only: &
!--------------------------------------------------------------------------------------------------
! update stiffness (and gamma operator)
S = Utilities_maskedCompliance(rotation_BC,P_BC%maskLogical,C)
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)
call Utilities_updateGamma(C_minMaxAvg,restartWrite)
C_scale = C_minMaxAvg
S_scale = math_invSym3333(C_minMaxAvg)
endif
ForwardData = .True.
@ -404,20 +409,36 @@ use mesh, only: &
params%timeinc = timeinc
params%temperature = temperature_bc
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
CHKERRQ(ierr)
call SNESGetConvergedReason(snes,reason,ierr)
CHKERRQ(ierr)
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)
AL_solution%termIll = terminallyIll
terminallyIll = .false.
if (reason < 1 ) then
AL_solution%converged = .false.
AL_solution%iterationsNeeded = itmax
else
AL_solution%termIll = terminallyIll
terminallyIll = .false.
AL_solution%converged = .true.
AL_solution%iterationsNeeded = reportIter
endif
if (reason < 1 ) AL_solution%converged = .false.
AL_solution%iterationsNeeded = totalIter
end do
end function AL_solution
@ -472,12 +493,12 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
residual_F, &
residual_F_tau
PetscInt :: &
iter, &
PETScIter, &
nfuncs
PetscObject :: dummy
PetscErrorCode :: ierr
integer(pInt) :: &
i, j, k, n_ele
i, j, k, e
F => x_scal(1:3,1:3,1,&
XG_RANGE,YG_RANGE,ZG_RANGE)
@ -489,17 +510,17 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
X_RANGE,Y_RANGE,Z_RANGE)
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
call SNESGetIterationNumber(snes,iter,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
if (iter == 0 .and. nfuncs == 0) then ! new increment
reportIter = -1_pInt
endif
if (reportIter <= iter) then ! new iteration
reportIter = reportIter + 1_pInt
currIter = currIter + 1_pInt
totalIter = totalIter + 1_pInt
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
' @ Iteration ', itmin, '≤',reportIter, '≤', itmax
' @ 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))
@ -530,24 +551,19 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
!--------------------------------------------------------------------------------------------------
! evaluate constitutive response
call Utilities_constitutiveResponse(F_lastInc,F - residual_F_tau/polarBeta,params%temperature,params%timeinc, &
residual_F,C,C_minmaxAvg,P_av,ForwardData,params%rotation_BC)
residual_F,C_volAvg,C_minMaxAvg,P_av,ForwardData,params%rotation_BC)
ForwardData = .False.
!--------------------------------------------------------------------------------------------------
! stress BC handling
F_aim = F_aim - 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
n_ele = 0_pInt
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)
n_ele = n_ele + 1_pInt
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,n_ele) + C_scale), &
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)
@ -564,7 +580,7 @@ end subroutine AL_formResidual
!--------------------------------------------------------------------------------------------------
!> @brief convergence check
!--------------------------------------------------------------------------------------------------
subroutine AL_converged(snes_local,it,xnorm,snorm,fnorm,reason,dummy,ierr)
subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
use numerics, only: &
itmax, &
itmin, &
@ -577,7 +593,7 @@ subroutine AL_converged(snes_local,it,xnorm,snorm,fnorm,reason,dummy,ierr)
implicit none
SNES :: snes_local
PetscInt :: it
PetscInt :: PETScIter
PetscReal :: &
xnorm, &
snorm, &
@ -586,32 +602,27 @@ subroutine AL_converged(snes_local,it,xnorm,snorm,fnorm,reason,dummy,ierr)
PetscObject :: dummy
PetscErrorCode ::ierr
logical :: Converged
real(pReal) :: err_stress_tol
err_stress_tol = max(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs)
Converged = (it >= itmin .and. &
Converged = (totalIter >= itmin .and. &
all([ err_f/err_f_tol, &
err_p/err_p_tol, &
err_stress/err_stress_tol] < 1.0_pReal)) &
err_p/err_p_tol ] < 1.0_pReal)) &
.or. terminallyIll
if (Converged) then
reason = 1
elseif (it >= itmax) then
elseif (totalIter >= itmax) then
reason = -1
else
reason = 0
endif
write(6,'(1/,a)') ' ... reporting ....................................................'
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,')'
write(6,'(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)') ' =========================================================================='
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 AL_converged