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fixed some buggy last minute changes in the last commit

This commit is contained in:
Martin Diehl 2013-08-08 09:13:29 +00:00
parent 4cb6c0a706
commit 7f3c24e1f1
6 changed files with 113 additions and 99 deletions
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2
code/DAMASK_spectral_driver.f90
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@ -557,7 +557,7 @@ program DAMASK_spectral_Driver
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! report summary of whole calculation ! report summary of whole calculation
write(6,'(/,a)') ' ##################################################################' write(6,'(/,a)') ' ###########################################################################'
write(6,'(1x,i6.6,a,i6.6,a,f5.1,a)') convergedCounter, ' out of ', & write(6,'(1x,i6.6,a,i6.6,a,f5.1,a)') convergedCounter, ' out of ', &
notConvergedCounter + convergedCounter, ' (', & notConvergedCounter + convergedCounter, ' (', &
real(convergedCounter, pReal)/& real(convergedCounter, pReal)/&

38
code/DAMASK_spectral_solverAL.f90
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@ -131,7 +131,7 @@ subroutine AL_init(temperature)
IO_read_JobBinaryFile, & IO_read_JobBinaryFile, &
IO_write_JobBinaryFile, & IO_write_JobBinaryFile, &
IO_timeStamp IO_timeStamp
use debug, only : & use debug, only: &
debug_level, & debug_level, &
debug_spectral, & debug_spectral, &
debug_spectralRestart debug_spectralRestart
@ -172,7 +172,7 @@ subroutine AL_init(temperature)
call Utilities_init() call Utilities_init()
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverAL init -+>>>' write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverAL init -+>>>'
write(6,'(a)') ' $Id$' write(6,'(a)') ' $Id$'
write(6,'(a16,a)') ' Current time : ',IO_timeStamp() write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90" #include "compilation_info.f90"
allocate (P (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal) allocate (P (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
@ -308,7 +308,7 @@ use mesh, only: &
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! input data for solution ! input data for solution
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
timeinc, & !< increment in time for current solution timeinc, & !< increment in time for current solution
timeinc_old, & !< increment in time of last increment timeinc_old, & !< increment in time of last increment
loadCaseTime, & !< remaining time of current load case loadCaseTime, & !< remaining time of current load case
@ -327,7 +327,7 @@ use mesh, only: &
! PETSc Data ! PETSc Data
PetscScalar, dimension(:,:,:,:), pointer :: xx_psc, F, F_lambda PetscScalar, dimension(:,:,:,:), pointer :: xx_psc, F, F_lambda
PetscErrorCode :: ierr PetscErrorCode :: ierr
SNESConvergedReason ::reason SNESConvergedReason :: reason
integer(pInt) :: i, j, k integer(pInt) :: i, j, k
real(pReal), dimension(3,3) :: F_lambda33 real(pReal), dimension(3,3) :: F_lambda33
@ -381,7 +381,7 @@ use mesh, only: &
f_aimDot = F_BC%maskFloat * F_BC%values f_aimDot = F_BC%maskFloat * F_BC%values
elseif(F_BC%myType=='f') then ! aim at end of load case is prescribed 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 f_aimDot = F_BC%maskFloat * (F_BC%values -F_aim)/loadCaseTime
endif endif
if (guess) f_aimDot = f_aimDot + P_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old if (guess) f_aimDot = f_aimDot + P_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old
F_aim_lastInc = F_aim F_aim_lastInc = F_aim
@ -403,7 +403,8 @@ use mesh, only: &
! update local deformation gradient ! update local deformation gradient
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! ensure that it matches rotated F_aim 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)]) math_rotate_backward33(F_aim,rotation_BC)),[9,grid(1),grid(2),grid(3)])
F_lambda = reshape(Utilities_forwardField(timeinc,F_lambda_lastInc,F_lambdadot), [9,grid(1),grid(2),grid(3)]) ! does not have any average value as boundary condition F_lambda = reshape(Utilities_forwardField(timeinc,F_lambda_lastInc,F_lambdadot), &
[9,grid(1),grid(2),grid(3)]) ! does not have any average value as boundary condition
if (.not. guess) then ! large strain forwarding if (.not. guess) then ! large strain forwarding
do k = 1_pInt, grid(3); do j = 1_pInt, grid(2); do i = 1_pInt, grid(1) do k = 1_pInt, grid(3); do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
F_lambda33 = reshape(F_lambda(:,i,j,k),[3,3]) F_lambda33 = reshape(F_lambda(:,i,j,k),[3,3])
@ -548,11 +549,11 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
! evaluate inertia ! evaluate inertia
dynamic: if (params%density > 0.0_pReal) then dynamic: if (params%density > 0.0_pReal) then
residual_F = ((F - F_lastInc)/params%timeinc - (F_lastInc - F_lastInc2)/params%timeincOld)/& residual_F = ((F - F_lastInc)/params%timeinc - (F_lastInc - F_lastInc2)/params%timeincOld)/&
((params%timeinc + params%timeincOld)/2.0_pReal) ((params%timeinc + params%timeincOld)/2.0_pReal)
residual_F = params%density*product(geomSize/grid)*residual_F residual_F = params%density*product(geomSize/grid)*residual_F
field_real = 0.0_pReal 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],& 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 order=[4,5,1,2,3]) ! field real has a different order
call Utilities_FFTforward() call Utilities_FFTforward()
call Utilities_inverseLaplace() call Utilities_inverseLaplace()
inertiaField_fourier = field_fourier inertiaField_fourier = field_fourier
@ -625,8 +626,6 @@ end subroutine AL_formResidual
!> @brief convergence check !> @brief convergence check
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr) subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
use math, only: &
math_mul3333xx33
use numerics, only: & use numerics, only: &
itmax, & itmax, &
itmin, & itmin, &
@ -634,8 +633,10 @@ subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr
err_div_tolAbs, & err_div_tolAbs, &
err_curl_tolRel, & err_curl_tolRel, &
err_curl_tolAbs, & err_curl_tolAbs, &
err_stress_tolabs, & err_stress_tolAbs, &
err_stress_tolrel err_stress_tolRel
use math, only: &
math_mul3333xx33
use FEsolving, only: & use FEsolving, only: &
terminallyIll terminallyIll
@ -658,15 +659,18 @@ subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr
! stress BC handling ! stress BC handling
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%P_BC))) ! S = 0.0 for no bc 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 err_stress = maxval(abs(mask_stress * (P_av - params%P_BC))) ! mask = 0.0 for no bc
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) !--------------------------------------------------------------------------------------------------
stressTol = max(maxval(abs(P_av)) *err_stress_tolrel,err_stress_tolabs) ! 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)
stressTol = max(maxval(abs(P_av)) *err_stress_tolrel,err_stress_tolabs)
converged: if ((totalIter >= itmin .and. & converged: if ((totalIter >= itmin .and. &
all([ err_div/divTol, & all([ err_div/divTol, &
err_curl/curlTol, & err_curl/curlTol, &
err_stress/err_stress_tol ] < 1.0_pReal)) & err_stress/stressTol ] < 1.0_pReal)) &
.or. terminallyIll) .or. terminallyIll) then
reason = 1 reason = 1
elseif (totalIter >= itmax) then converged elseif (totalIter >= itmax) then converged
reason = -1 reason = -1

106
code/DAMASK_spectral_solverBasicPETSc.f90
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@ -74,12 +74,14 @@ module DAMASK_spectral_SolverBasicPETSc
F_aimDot=0.0_pReal F_aimDot=0.0_pReal
character(len=1024), private :: incInfo character(len=1024), private :: incInfo
real(pReal), private, dimension(3,3,3,3) :: & real(pReal), private, dimension(3,3,3,3) :: &
C = 0.0_pReal, C_minmaxAvg = 0.0_pReal, C_lastInc= 0.0_pReal, & C_volAvg = 0.0_pReal, & !< current volume average stiffness
S = 0.0_pReal 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)
real(pReal), private :: err_stress, err_div real(pReal), private :: err_stress, err_div
logical, private :: ForwardData logical, private :: ForwardData
integer(pInt), private :: reportIter = 0_pInt integer(pInt), private :: &
totalIter = 0_pInt !< total iteration in current increment
real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
public :: & public :: &
@ -112,9 +114,9 @@ contains
subroutine basicPETSc_init(temperature) subroutine basicPETSc_init(temperature)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment) use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment)
use IO, only: & use IO, only: &
IO_intOut, &
IO_read_JobBinaryFile, & IO_read_JobBinaryFile, &
IO_write_JobBinaryFile, & IO_write_JobBinaryFile, &
IO_intOut, &
IO_timeStamp IO_timeStamp
use debug, only: & use debug, only: &
debug_level, & debug_level, &
@ -212,11 +214,11 @@ subroutine basicPETSc_init(temperature)
call IO_read_jobBinaryFile(777,'F_aimDot',trim(getSolverJobName()),size(f_aimDot)) call IO_read_jobBinaryFile(777,'F_aimDot',trim(getSolverJobName()),size(f_aimDot))
read (777,rec=1) f_aimDot read (777,rec=1) f_aimDot
close (777) close (777)
call IO_read_jobBinaryFile(777,'C',trim(getSolverJobName()),size(C)) call IO_read_jobBinaryFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg))
read (777,rec=1) C read (777,rec=1) C_volAvg
close (777) close (777)
call IO_read_jobBinaryFile(777,'C_lastInc',trim(getSolverJobName()),size(C_lastInc)) call IO_read_jobBinaryFile(777,'C_volAvgLastInc',trim(getSolverJobName()),size(C_volAvgLastInc))
read (777,rec=1) C_lastInc read (777,rec=1) C_volAvgLastInc
close (777) close (777)
call IO_read_jobBinaryFile(777,'C_ref',trim(getSolverJobName()),size(temp3333_Real)) call IO_read_jobBinaryFile(777,'C_ref',trim(getSolverJobName()),size(temp3333_Real))
read (777,rec=1) temp3333_Real read (777,rec=1) temp3333_Real
@ -227,10 +229,10 @@ subroutine basicPETSc_init(temperature)
call Utilities_constitutiveResponse(& call Utilities_constitutiveResponse(&
reshape(F(0:8,0:grid(1)-1_pInt,0:grid(2)-1_pInt,0:grid(3)-1_pInt),[3,3,grid(1),grid(2),grid(3)]),& reshape(F(0:8,0:grid(1)-1_pInt,0:grid(2)-1_pInt,0:grid(3)-1_pInt),[3,3,grid(1),grid(2),grid(3)]),&
reshape(F(0:8,0:grid(1)-1_pInt,0:grid(2)-1_pInt,0:grid(3)-1_pInt),[3,3,grid(1),grid(2),grid(3)]),& reshape(F(0:8,0:grid(1)-1_pInt,0:grid(2)-1_pInt,0:grid(3)-1_pInt),[3,3,grid(1),grid(2),grid(3)]),&
temperature,0.0_pReal,P,C,C_minmaxAvg,temp33_Real,.false.,math_I3) temperature,0.0_pReal,P,C_volAvg,C_minmaxAvg,temp33_Real,.false.,math_I3)
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! write data back into PETSc call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! write data back into PETSc
if (restartInc == 1_pInt) then ! use initial stiffness as reference stiffness if (restartInc == 1_pInt) then ! use initial stiffness as reference stiffness
temp3333_Real = C_minmaxAvg temp3333_Real = C_minMaxAvg
endif endif
call Utilities_updateGamma(temp3333_Real,.True.) call Utilities_updateGamma(temp3333_Real,.True.)
@ -257,8 +259,8 @@ type(tSolutionState) function basicPETSc_solution( &
grid, & grid, &
geomSize, & geomSize, &
tBoundaryCondition, & tBoundaryCondition, &
Utilities_calculateRate, &
Utilities_forwardField, & Utilities_forwardField, &
Utilities_calculateRate, &
Utilities_maskedCompliance, & Utilities_maskedCompliance, &
Utilities_updateGamma, & Utilities_updateGamma, &
cutBack cutBack
@ -269,21 +271,26 @@ type(tSolutionState) function basicPETSc_solution( &
implicit none implicit none
#include <finclude/petscdmda.h90> #include <finclude/petscdmda.h90>
#include <finclude/petscsnes.h90> #include <finclude/petscsnes.h90>
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! input data for solution ! input data for solution
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
timeinc, & !< increment in time for current solution timeinc, & !< increment in time for current solution
timeinc_old, & !< increment in time of last increment timeinc_old, & !< increment in time of last increment
loadCaseTime, & !< remaining time of current load case loadCaseTime, & !< remaining time of current load case
temperature_bc temperature_bc, &
logical, intent(in):: guess density
type(tBoundaryCondition), intent(in) :: P_BC,F_BC logical, intent(in) :: &
guess
type(tBoundaryCondition), intent(in) :: &
P_BC, &
F_BC
character(len=*), intent(in) :: &
incInfoIn
real(pReal), dimension(3,3), intent(in) :: rotation_BC real(pReal), dimension(3,3), intent(in) :: rotation_BC
character(len=*), intent(in) :: incInfoIn
real(pReal), intent(in) :: density
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! ! PETSc Data
PetscScalar, pointer :: F(:,:,:,:) PetscScalar, pointer :: F(:,:,:,:)
PetscErrorCode :: ierr PetscErrorCode :: ierr
SNESConvergedReason :: reason SNESConvergedReason :: reason
@ -291,7 +298,7 @@ type(tSolutionState) function basicPETSc_solution( &
call DMDAVecGetArrayF90(da,solution_vec,F,ierr) call DMDAVecGetArrayF90(da,solution_vec,F,ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! write restart information for spectral solver ! restart information for spectral solver
if (restartWrite) then if (restartWrite) then
write(6,'(/,a)') ' writing converged results for restart' write(6,'(/,a)') ' writing converged results for restart'
flush(6) flush(6)
@ -304,29 +311,28 @@ type(tSolutionState) function basicPETSc_solution( &
call IO_write_jobBinaryFile(777,'F_aimDot',size(F_aimDot)) call IO_write_jobBinaryFile(777,'F_aimDot',size(F_aimDot))
write (777,rec=1) F_aimDot write (777,rec=1) F_aimDot
close(777) close(777)
call IO_write_jobBinaryFile(777,'C',size(C)) call IO_write_jobBinaryFile(777,'C_volAvg',size(C_volAvg))
write (777,rec=1) C write (777,rec=1) C_volAvg
close(777) close(777)
call IO_write_jobBinaryFile(777,'C_lastInc',size(C_lastInc)) call IO_write_jobBinaryFile(777,'C_volAvgLastInc',size(C_volAvgLastInc))
write (777,rec=1) C_lastInc write (777,rec=1) C_volAvgLastInc
close(777) close(777)
endif endif
mesh_ipCoordinates = reshape(mesh_deformedCoordsFFT(geomSize,reshape(& mesh_ipCoordinates = reshape(mesh_deformedCoordsFFT(geomSize,reshape(&
F,[3,3,grid(1),grid(2),grid(3)])),[3,1,product(grid)]) F,[3,3,grid(1),grid(2),grid(3)])),[3,1,product(grid)])
if ( cutBack) then if (cutBack) then
F_aim = F_aim_lastInc F_aim = F_aim_lastInc
F = reshape(F_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 else
C_lastInc = C C_volAvgLastInc = C_volAvg
mesh_ipCoordinates = reshape(mesh_deformedCoordsFFT(geomSize,reshape(&
F,[3,3,grid(1),grid(2),grid(3)])),[3,1,product(grid)])
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calculate rate for aim ! calculate rate for aim
if (F_BC%myType=='l') then ! calculate f_aimDot from given L and current F 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) f_aimDot = F_BC%maskFloat * math_mul33x33(F_BC%values, F_aim)
elseif(F_BC%myType=='fdot') then ! f_aimDot is prescribed elseif(F_BC%myType=='fdot') then ! f_aimDot is prescribed
f_aimDot = F_BC%maskFloat * F_BC%values f_aimDot = F_BC%maskFloat * F_BC%values
elseif(F_BC%myType=='f') then ! aim at end of load case is prescribed 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 f_aimDot = F_BC%maskFloat * (F_BC%values -F_aim)/loadCaseTime
@ -335,7 +341,9 @@ type(tSolutionState) function basicPETSc_solution( &
F_aim_lastInc = F_aim F_aim_lastInc = F_aim
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! update rate and forward last inc ! 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,params%rotation_BC), & Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,params%rotation_BC), &
timeinc_old,guess,F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid(3)])) timeinc_old,guess,F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid(3)]))
F_lastInc2 = F_lastInc F_lastInc2 = F_lastInc
@ -349,7 +357,7 @@ type(tSolutionState) function basicPETSc_solution( &
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! update stiffness (and gamma operator) ! 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) call Utilities_updateGamma(C_minmaxAvg,restartWrite) if (update_gamma) call Utilities_updateGamma(C_minmaxAvg,restartWrite)
ForwardData = .True. ForwardData = .True.
@ -374,7 +382,7 @@ type(tSolutionState) function basicPETSc_solution( &
basicPETSC_solution%iterationsNeeded = itmax basicPETSC_solution%iterationsNeeded = itmax
else else
basicPETSC_solution%converged = .true. basicPETSC_solution%converged = .true.
basicPETSC_solution%iterationsNeeded = reportIter basicPETSC_solution%iterationsNeeded = totalIter
endif endif
end function BasicPETSc_solution end function BasicPETSc_solution
@ -417,25 +425,23 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
x_scal, & x_scal, &
f_scal f_scal
PetscInt :: & PetscInt :: &
iter, & PETScIter, &
nfuncs nfuncs
PetscObject :: dummy PetscObject :: dummy
PetscErrorCode :: ierr PetscErrorCode :: ierr
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr) 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) totalIter = -1_pInt ! new increment
if (totalIter <= PETScIter) then ! new iteration
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! report begin of new iteration ! report begin of new iteration
if (iter == 0 .and. nfuncs == 0) then ! new increment totalIter = totalIter + 1_pInt
reportIter = -1_pInt
endif
if (reportIter <= iter) then ! new iteration
reportIter = reportIter + 1_pInt
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), & 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) & if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab)=', & write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab) =', &
math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC)) math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim =', & write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim =', &
math_transpose33(F_aim) math_transpose33(F_aim)
@ -461,7 +467,7 @@ if (params%density > 0.0_pReal) then
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! evaluate constitutive response ! evaluate constitutive response
call Utilities_constitutiveResponse(F_lastInc,x_scal,params%temperature,params%timeinc, & call Utilities_constitutiveResponse(F_lastInc,x_scal,params%temperature,params%timeinc, &
f_scal,C,C_minmaxAvg,P_av,ForwardData,params%rotation_BC) f_scal,C_volAvg,C_minmaxAvg,P_av,ForwardData,params%rotation_BC)
ForwardData = .false. ForwardData = .false.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -491,12 +497,12 @@ end subroutine BasicPETSc_formResidual
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief convergence check !> @brief convergence check
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine BasicPETSc_converged(snes_local,it,xnorm,snorm,fnorm,reason,dummy,ierr) subroutine BasicPETSc_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
use numerics, only: & use numerics, only: &
itmax, & itmax, &
itmin, & itmin, &
err_div_TolAbs, & err_div_tolRel, &
err_div_TolRel, & err_div_tolAbs, &
err_stress_tolRel, & err_stress_tolRel, &
err_stress_tolAbs err_stress_tolAbs
use math, only: & use math, only: &
@ -508,7 +514,7 @@ subroutine BasicPETSc_converged(snes_local,it,xnorm,snorm,fnorm,reason,dummy,ier
implicit none implicit none
SNES :: snes_local SNES :: snes_local
PetscInt :: it PetscInt :: PETScIter
PetscReal :: & PetscReal :: &
xnorm, & xnorm, &
snorm, & snorm, &
@ -523,10 +529,10 @@ subroutine BasicPETSc_converged(snes_local,it,xnorm,snorm,fnorm,reason,dummy,ier
divTol = max(maxval(abs(P_av))*err_div_tolRel,err_div_tolAbs) divTol = max(maxval(abs(P_av))*err_div_tolRel,err_div_tolAbs)
stressTol = max(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs) stressTol = max(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs)
converged: if ((it >= itmin .and. & converged: if ((totalIter>= itmin .and. &
all([ err_div/divTol, & all([ err_div/divTol, &
err_stress/err_stress_tol ] < 1.0_pReal)) & err_stress/stressTol ] < 1.0_pReal)) &
.or. terminallyIll) .or. terminallyIll) then
reason = 1 reason = 1
elseif (totalIter >= itmax) then converged elseif (totalIter >= itmax) then converged
reason = -1 reason = -1

46
code/DAMASK_spectral_solverPolarisation.f90
View File

@ -601,7 +601,6 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! constructing residual ! constructing residual
e = 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) do k = 1_pInt, grid(3); do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
e = e + 1_pInt e = e + 1_pInt
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(math_invSym3333(materialpoint_dPdF(:,:,:,:,1,e) + C_scale), &
@ -627,14 +626,16 @@ end subroutine Polarisation_formResidual
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr) subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
use numerics, only: & use numerics, only: &
itmax, & itmax, &
itmin, & itmin, &
err_div_tolRel, & err_div_tolRel, &
err_div_tolAbs, & err_div_tolAbs, &
err_curl_tolRel, & err_curl_tolRel, &
err_curl_tolAbs, & err_curl_tolAbs, &
err_stress_tolabs, & err_stress_tolabs, &
err_stress_tolrel err_stress_tolrel
use math, only: &
math_mul3333xx33
use FEsolving, only: & use FEsolving, only: &
terminallyIll terminallyIll
@ -651,21 +652,24 @@ subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,
real(pReal) :: & real(pReal) :: &
curlTol, & curlTol, &
divTol, & divTol, &
stressBC_tol stressTol
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! stress BC handling ! stress BC handling
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%P_BC))) ! S = 0.0 for no bc 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 err_stress = maxval(abs(mask_stress * (P_av - params%P_BC))) ! mask = 0.0 for no bc
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) !--------------------------------------------------------------------------------------------------
stressBC_tol = max(maxval(abs(P_av)) *err_stress_tolrel,err_stress_tolabs) ! 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)
stressTol = max(maxval(abs(P_av)) *err_stress_tolrel,err_stress_tolabs)
converged: if ((totalIter >= itmin .and. & converged: if ((totalIter >= itmin .and. &
all([ err_div/divTol, & all([ err_div/divTol, &
err_curl/curlTol, & err_curl/curlTol, &
err_stress/err_stress_tol ] < 1.0_pReal)) & err_stress/stressTol ] < 1.0_pReal)) &
.or. terminallyIll) .or. terminallyIll) then
reason = 1 reason = 1
elseif (totalIter >= itmax) then converged elseif (totalIter >= itmax) then converged
reason = -1 reason = -1
@ -676,12 +680,12 @@ subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! report ! report
write(6,'(1/,a)') ' ... reporting .............................................................' write(6,'(1/,a)') ' ... reporting .............................................................'
write(6,'(/,a,f12.2,a,es12.2,a,es12.2,a)') ' error curl = ', & write(6,'(/,a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', &
err_curl/curlTol,' (',err_curl,' -, tol =',curlTol,')' err_curl/curlTol,' (',err_curl,' -, tol =',curlTol,')'
write(6,'(a,f12.2,a,es12.8,a,es12.8,a)') ' error divergence = ', & write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
err_div/divTol, ' (',err_div,' / m, tol =',divTol,')' err_div/divTol, ' (',err_div,' / m, tol =',divTol,')'
write(6,'(a,f8.2,a,es11.5,a,es11.4,a)') ' error stress BC = ', & write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
err_stress/stressBC_tol, ' (',err_stress, ' Pa, tol =',stressBC_tol,')' err_stress/stressTol, ' (',err_stress, ' Pa, tol =',stressTol,')'
write(6,'(/,a)') ' ===========================================================================' write(6,'(/,a)') ' ==========================================================================='
flush(6) flush(6)

2
code/DAMASK_spectral_utilities.f90
View File

@ -650,7 +650,7 @@ real(pReal) function utilities_curlRMS()
integer(pInt) :: i, j, k, l integer(pInt) :: i, j, k, l
complex(pReal), dimension(3,3) :: curl_fourier complex(pReal), dimension(3,3) :: curl_fourier
write(6,'(/,a)') ' ... calculating curl ................................................' write(6,'(/,a)') ' ... calculating curl ......................................................'
flush(6) flush(6)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calculating max curl criterion in Fourier space ! calculating max curl criterion in Fourier space

6
code/numerics.f90
View File

@ -331,11 +331,11 @@ subroutine numerics_init
case ('err_div_tolabs','err_div_tolrel','err_stress_tolrel','err_stress_tolabs',& ! found spectral parameter for FEM build case ('err_div_tolabs','err_div_tolrel','err_stress_tolrel','err_stress_tolabs',& ! found spectral parameter for FEM build
'itmax', 'itmin','memory_efficient','fftw_timelimit','fftw_plan_mode', & 'itmax', 'itmin','memory_efficient','fftw_timelimit','fftw_plan_mode', &
'rotation_tol','divergence_correction','update_gamma','myfilter', & 'rotation_tol','divergence_correction','update_gamma','myfilter', &
'err_div_tolabs','err_div_tolrel', & 'err_curl_tolabs','err_curl_tolrel', &
'maxcutback','polaralpha','polarbeta') 'maxcutback','polaralpha','polarbeta')
call IO_warning(40_pInt,ext_msg=tag) call IO_warning(40_pInt,ext_msg=tag)
#endif #endif
case default ! found unknown keyword case default ! found unknown keyword
call IO_error(300_pInt,ext_msg=tag) call IO_error(300_pInt,ext_msg=tag)
endselect endselect
enddo enddo
@ -346,7 +346,7 @@ subroutine numerics_init
endif fileExists endif fileExists
#ifdef Spectral #ifdef Spectral
select case(IO_lc(fftw_plan_mode)) ! setting parameters for the plan creation of FFTW. Basically a translation from fftw3.f select case(IO_lc(fftw_plan_mode)) ! setting parameters for the plan creation of FFTW. Basically a translation from fftw3.f
case('estimate','fftw_estimate') ! ordered from slow execution (but fast plan creation) to fast execution case('estimate','fftw_estimate') ! ordered from slow execution (but fast plan creation) to fast execution
fftw_planner_flag = 64_pInt fftw_planner_flag = 64_pInt
case('measure','fftw_measure') case('measure','fftw_measure')