corrected reporting of basic PETSc variant and unified reporting of all spectral solvers
improved warning and error in IO, now able to report correctly elements up to 9 digits
This commit is contained in:
Martin Diehl
parent
b8106429f6
commit
0d5e91ac87
File diff suppressed because it is too large
Load Diff
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@ -331,7 +331,8 @@ program DAMASK_spectral_Driver
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open(newunit=statUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
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open(newunit=statUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
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'.sta',form='FORMATTED',status='REPLACE')
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'.sta',form='FORMATTED',status='REPLACE')
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write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file
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write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file
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if (debugGeneral) write(6,'(a)') 'Header of result file written out'
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if (debugGeneral) write(6,'(/,a)') ' header of result file written out'
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flush(6)
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endif
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endif
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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! loopping over loadcases
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! loopping over loadcases
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@ -379,8 +380,8 @@ program DAMASK_spectral_Driver
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stepFraction = stepFraction + 1_pInt
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stepFraction = stepFraction + 1_pInt
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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! report begin of new increment
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! report begin of new increment
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write(6,'(1/,a)') '###########################################################################'
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write(6,'(/,a)') ' ###########################################################################'
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write(6,'(a,es12.5'//&
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write(6,'(1x,a,es12.5'//&
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',a,'//IO_intOut(inc)//',a,'//IO_intOut(loadCases(currentLoadCase)%incs)//&
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',a,'//IO_intOut(inc)//',a,'//IO_intOut(loadCases(currentLoadCase)%incs)//&
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',a,'//IO_intOut(stepFraction)//',a,'//IO_intOut(subStepFactor**cutBackLevel)//&
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',a,'//IO_intOut(stepFraction)//',a,'//IO_intOut(subStepFactor**cutBackLevel)//&
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',a,'//IO_intOut(currentLoadCase)//',a,'//IO_intOut(size(loadCases))//')') &
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',a,'//IO_intOut(currentLoadCase)//',a,'//IO_intOut(size(loadCases))//')') &
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@ -388,9 +389,10 @@ program DAMASK_spectral_Driver
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's: Increment ', inc, '/', loadCases(currentLoadCase)%incs,&
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's: Increment ', inc, '/', loadCases(currentLoadCase)%incs,&
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'-', stepFraction, '/', subStepFactor**cutBackLevel,&
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'-', stepFraction, '/', subStepFactor**cutBackLevel,&
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' of load case ', currentLoadCase,'/',size(loadCases)
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' of load case ', currentLoadCase,'/',size(loadCases)
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flush(6)
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write(incInfo,'(a,'//IO_intOut(totalIncsCounter)//',a,'//IO_intOut(sum(loadCases(:)%incs))//&
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write(incInfo,'(a,'//IO_intOut(totalIncsCounter)//',a,'//IO_intOut(sum(loadCases(:)%incs))//&
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',a,'//IO_intOut(stepFraction)//',a,'//IO_intOut(subStepFactor**cutBackLevel)//')') &
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',a,'//IO_intOut(stepFraction)//',a,'//IO_intOut(subStepFactor**cutBackLevel)//')') &
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'Inc. ',totalIncsCounter,'/',sum(loadCases(:)%incs),&
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'Increment ',totalIncsCounter,'/',sum(loadCases(:)%incs),&
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'-',stepFraction, '/', subStepFactor**cutBackLevel
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'-',stepFraction, '/', subStepFactor**cutBackLevel
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select case(myspectralsolver)
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select case(myspectralsolver)
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@ -449,16 +451,17 @@ program DAMASK_spectral_Driver
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cutBackLevel = max(0_pInt, cutBackLevel - 1_pInt) ! try half number of subincs next inc
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cutBackLevel = max(0_pInt, cutBackLevel - 1_pInt) ! try half number of subincs next inc
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if(solres%converged) then ! report converged inc
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if(solres%converged) then ! report converged inc
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convergedCounter = convergedCounter + 1_pInt
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convergedCounter = convergedCounter + 1_pInt
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write(6,'(A,'//IO_intOut(totalIncsCounter)//',A)') &
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write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',A)') &
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'increment ', totalIncsCounter, ' converged'
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' increment ', totalIncsCounter, ' converged'
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else
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else
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write(6,'(A,'//IO_intOut(totalIncsCounter)//',A)') & ! report non-converged inc
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write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',A)') & ! report non-converged inc
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'increment ', totalIncsCounter, ' NOT converged'
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' increment ', totalIncsCounter, ' NOT converged'
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notConvergedCounter = notConvergedCounter + 1_pInt
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notConvergedCounter = notConvergedCounter + 1_pInt
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endif
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endif
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flush(6)
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if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) then ! at output frequency
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if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) then ! at output frequency
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write(6,'(1/,a)') '... writing results to file ......................................'
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write(6,'(1/,a)') ' ... writing results to file ......................................'
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write(resUnit) materialpoint_results ! write result to file
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write(resUnit) materialpoint_results ! write result to file
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endif
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endif
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if( loadCases(currentLoadCase)%restartFrequency > 0_pInt .and. &
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if( loadCases(currentLoadCase)%restartFrequency > 0_pInt .and. &
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@ -489,9 +492,8 @@ program DAMASK_spectral_Driver
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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! done report summary
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! done report summary
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write(6,'(a)') ''
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write(6,'(/,a)') ' ##################################################################'
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write(6,'(a)') '##################################################################'
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write(6,'(1x,i6.6,a,i6.6,a,f5.1,a)') convergedCounter, ' out of ', &
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write(6,'(i6.6,a,i6.6,a,f5.1,a)') convergedCounter, ' out of ', &
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notConvergedCounter + convergedCounter, ' (', &
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notConvergedCounter + convergedCounter, ' (', &
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real(convergedCounter, pReal)/&
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real(convergedCounter, pReal)/&
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real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, &
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real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, &
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@ -68,7 +68,7 @@ module DAMASK_spectral_solverAL
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err_f, & !< difference between compatible and incompatible deformation gradient
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err_f, & !< difference between compatible and incompatible deformation gradient
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err_p !< difference of stress resulting from compatible and incompatible F
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err_p !< difference of stress resulting from compatible and incompatible F
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logical, private :: ForwardData
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logical, private :: ForwardData
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integer(pInt) :: reportIter = 0_pInt
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integer(pInt), private :: reportIter = 0_pInt
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contains
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contains
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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@ -120,8 +120,7 @@ subroutine AL_init(temperature)
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write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverAL init -+>>>'
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write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverAL init -+>>>'
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write(6,'(a)') ' $Id: DAMASK_spectral_SolverAL.f90 1654 2012-08-03 09:25:48Z MPIE\m.diehl $'
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write(6,'(a)') ' $Id: DAMASK_spectral_SolverAL.f90 1654 2012-08-03 09:25:48Z MPIE\m.diehl $'
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#include "compilation_info.f90"
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#include "compilation_info.f90"
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write(6,'(a)') ''
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allocate (F_lastInc (3,3, res(1), res(2),res(3)), source = 0.0_pReal)
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allocate (F_lastInc (3,3, res(1), res(2),res(3)), source = 0.0_pReal)
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allocate (Fdot (3,3, res(1), res(2),res(3)), source = 0.0_pReal)
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allocate (Fdot (3,3, res(1), res(2),res(3)), source = 0.0_pReal)
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! allocate (Fdot,source = F_lastInc) somethin like that should be possible
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! allocate (Fdot,source = F_lastInc) somethin like that should be possible
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@ -154,7 +153,7 @@ subroutine AL_init(temperature)
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F = reshape(F_lastInc,[9,res(1),res(2),res(3)])
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F = reshape(F_lastInc,[9,res(1),res(2),res(3)])
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F_lambda = F
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F_lambda = F
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elseif (restartInc > 1_pInt) then ! using old values from file
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elseif (restartInc > 1_pInt) then ! using old values from file
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if (debugRestart) write(6,'(a,i6,a)') 'Reading values of increment ',&
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if (debugRestart) write(6,'(/,a,i6,a)') ' reading values of increment ',&
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restartInc - 1_pInt,' from file'
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restartInc - 1_pInt,' from file'
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flush(6)
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flush(6)
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call IO_read_jobBinaryFile(777,'F',&
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call IO_read_jobBinaryFile(777,'F',&
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@ -269,7 +268,8 @@ type(tSolutionState) function &
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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! restart information for spectral solver
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! restart information for spectral solver
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if (restartWrite) then
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if (restartWrite) then
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write(6,'(a)') 'writing converged results for restart'
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write(6,'(/,a)') ' writing converged results for restart'
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flush(6)
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call IO_write_jobBinaryFile(777,'F',size(F)) ! writing deformation gradient field to file
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call IO_write_jobBinaryFile(777,'F',size(F)) ! writing deformation gradient field to file
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write (777,rec=1) F
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write (777,rec=1) F
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close (777)
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close (777)
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@ -406,10 +406,8 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
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residual_F => f_scal(:,:,1,:,:,:)
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residual_F => f_scal(:,:,1,:,:,:)
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residual_F_lambda => f_scal(:,:,2,:,:,:)
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residual_F_lambda => f_scal(:,:,2,:,:,:)
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call SNESGetNumberFunctionEvals(snes,nfuncs,ierr)
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call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
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CHKERRQ(ierr)
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call SNESGetIterationNumber(snes,iter,ierr); CHKERRQ(ierr)
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call SNESGetIterationNumber(snes,iter,ierr)
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CHKERRQ(ierr)
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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! report begin of new iteration
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! report begin of new iteration
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@ -418,13 +416,14 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
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reportIter = 0_pInt
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reportIter = 0_pInt
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endif
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endif
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if (callNo == 0 .or. mod(callNo,2) == 1_pInt) then
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if (callNo == 0 .or. mod(callNo,2) == 1_pInt) then
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write(6,'(/,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
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write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
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' @ Iter. ', itmin, '≤',reportIter, '≤', itmax
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' @ Iteration ', itmin, '≤',reportIter, '≤', itmax
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if (debugRotation) &
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if (debugRotation) &
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write(6,'(a,/,3(3(f12.7,1x)/))',advance='no') 'deformation gradient aim (lab)=', &
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write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab) =', &
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math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
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math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
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write(6,'(a,/,3(3(f12.7,1x)/))',advance='no') 'deformation gradient aim =', &
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write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim =', &
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math_transpose33(F_aim)
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math_transpose33(F_aim)
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flush(6)
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reportIter = reportIter + 1_pInt
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reportIter = reportIter + 1_pInt
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endif
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endif
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callNo = callNo +1_pInt
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callNo = callNo +1_pInt
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@ -473,7 +472,6 @@ end subroutine AL_formResidual
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!> @brief convergence check
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!> @brief convergence check
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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subroutine AL_converged(snes_local,it,xnorm,snorm,fnorm,reason,dummy,ierr)
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subroutine AL_converged(snes_local,it,xnorm,snorm,fnorm,reason,dummy,ierr)
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use numerics, only: &
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use numerics, only: &
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itmax, &
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itmax, &
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itmin, &
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itmin, &
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@ -481,60 +479,61 @@ subroutine AL_converged(snes_local,it,xnorm,snorm,fnorm,reason,dummy,ierr)
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err_p_tol, &
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err_p_tol, &
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err_stress_tolrel, &
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err_stress_tolrel, &
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err_stress_tolabs
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err_stress_tolabs
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implicit none
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implicit none
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SNES :: snes_local
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SNES :: snes_local
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PetscInt :: it
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PetscInt :: it
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PetscReal :: xnorm, snorm, fnorm
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PetscReal :: &
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xnorm, &
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snorm, &
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fnorm
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SNESConvergedReason :: reason
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SNESConvergedReason :: reason
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PetscObject :: dummy
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PetscObject :: dummy
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PetscErrorCode ::ierr
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PetscErrorCode ::ierr
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logical :: Converged
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logical :: Converged
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real(pReal) :: err_stress_tol
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err_stress_tol = min(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs)
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Converged = (it > itmin .and. &
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Converged = (it > itmin .and. &
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all([ err_f/sqrt(sum((F_aim-math_I3)*(F_aim-math_I3)))/err_f_tol, &
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all([ err_f/sqrt(sum((F_aim-math_I3)**2.0_pReal))/err_f_tol, &
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err_p/sqrt(sum((F_aim-math_I3)*(F_aim-math_I3)))/err_p_tol, &
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err_p/sqrt(sum((F_aim-math_I3)**2.0_pReal))/err_p_tol, &
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err_stress/min(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs)] < 1.0_pReal))
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err_stress/err_stress_tol] < 1.0_pReal))
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if (Converged) then
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if (Converged) then
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reason = 1
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reason = 1
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elseif (it > itmax) then
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elseif (it >= itmax) then
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reason = -1
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reason = -1
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else
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else
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reason = 0
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reason = 0
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endif
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endif
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write(6,'(1/,a)') ' ... reporting ....................................................'
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write(6,'(a,f12.7,1x,1a,1x,es9.3)') 'error stress BC = ', &
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write(6,'(/,a,f8.2,a,es11.5,a,es11.4,a)') ' mismatch F = ', &
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err_stress/min(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs),&
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err_f/sqrt(sum((F_aim-math_I3)**2.0_pReal))/err_f_tol, &
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'@',min(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs)
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' (',err_f/sqrt(sum((F_aim-math_I3)**2.0_pReal)),' -, tol =',err_f_tol,')'
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write(6,'(a,f12.7,1x,1a,1x,es9.3)') 'error F = ',&
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write(6,'(a,f8.2,a,es11.5,a,es11.4,a)') ' mismatch P = ', &
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err_f/sqrt(sum((F_aim-math_I3)*(F_aim-math_I3)))/err_f_tol,&
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err_p/sqrt(sum((F_aim-math_I3)**2.0_pReal))/err_p_tol, &
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'@',err_f_tol
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' (',err_p/sqrt(sum((F_aim-math_I3)**2.0_pReal)),' -, tol =',err_p_tol,')'
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write(6,'(a,f12.7,1x,1a,1x,es9.3)') 'error P = ', &
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write(6,'(a,f8.2,a,es11.5,a,es11.4,a)') ' error stress BC = ', &
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err_p/sqrt(sum((F_aim-math_I3)*(F_aim-math_I3)))/err_p_tol,&
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err_stress/err_stress_tol, ' (',err_stress, ' Pa, tol =',err_stress_tol,')'
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'@',err_p_tol
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write(6,'(/,a)') ' =========================================================================='
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write(6,'(/,a)') '=========================================================================='
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flush(6)
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end subroutine AL_converged
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end subroutine AL_converged
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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!> @brief destroy routine
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!> @brief destroy routine
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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subroutine AL_destroy()
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subroutine AL_destroy()
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use DAMASK_spectral_Utilities, only: &
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use DAMASK_spectral_Utilities, only: &
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Utilities_destroy
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Utilities_destroy
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implicit none
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implicit none
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PetscErrorCode :: ierr
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PetscErrorCode :: ierr
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call VecDestroy(solution_vec,ierr)
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call VecDestroy(solution_vec,ierr); CHKERRQ(ierr)
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CHKERRQ(ierr)
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call SNESDestroy(snes,ierr); CHKERRQ(ierr)
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call SNESDestroy(snes,ierr)
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call DMDestroy(da,ierr); CHKERRQ(ierr)
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CHKERRQ(ierr)
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call PetscFinalize(ierr); CHKERRQ(ierr)
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call DMDestroy(da,ierr)
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CHKERRQ(ierr)
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call PetscFinalize(ierr)
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CHKERRQ(ierr)
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call Utilities_destroy()
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call Utilities_destroy()
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end subroutine AL_destroy
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end subroutine AL_destroy
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@ -82,8 +82,7 @@ subroutine basic_init(temperature)
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write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverBasic init -+>>>'
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write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverBasic init -+>>>'
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write(6,'(a)') ' $Id$'
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write(6,'(a)') ' $Id$'
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#include "compilation_info.f90"
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#include "compilation_info.f90"
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write(6,'(a)') ''
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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! allocate global fields
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! allocate global fields
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allocate (F (3,3,res(1), res(2),res(3)), source = 0.0_pReal)
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allocate (F (3,3,res(1), res(2),res(3)), source = 0.0_pReal)
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@ -96,8 +95,9 @@ subroutine basic_init(temperature)
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F = spread(spread(spread(math_I3,3,res(1)),4,res(2)),5,res(3)) ! initialize to identity
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F = spread(spread(spread(math_I3,3,res(1)),4,res(2)),5,res(3)) ! initialize to identity
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F_lastInc = F
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F_lastInc = F
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||||||
elseif (restartInc > 1_pInt) then ! using old values from file
|
elseif (restartInc > 1_pInt) then ! using old values from file
|
||||||
if (debugRestart) write(6,'(a,'//IO_intOut(restartInc-1_pInt)//',a)') &
|
if (debugRestart) write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
|
||||||
'Reading values of increment', restartInc - 1_pInt, 'from file'
|
'reading values of increment', restartInc - 1_pInt, 'from file'
|
||||||
|
flush(6)
|
||||||
call IO_read_jobBinaryFile(777,'F',&
|
call IO_read_jobBinaryFile(777,'F',&
|
||||||
trim(getSolverJobName()),size(F))
|
trim(getSolverJobName()),size(F))
|
||||||
read (777,rec=1) F
|
read (777,rec=1) F
|
||||||
|
|
@ -216,7 +216,8 @@ type(tSolutionState) function &
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! write restart information for spectral solver
|
! write 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)
|
||||||
call IO_write_jobBinaryFile(777,'F',size(F)) ! writing deformation gradient field to file
|
call IO_write_jobBinaryFile(777,'F',size(F)) ! writing deformation gradient field to file
|
||||||
write (777,rec=1) F
|
write (777,rec=1) F
|
||||||
close (777)
|
close (777)
|
||||||
|
|
@ -277,13 +278,14 @@ type(tSolutionState) function &
|
||||||
iter = iter + 1_pInt
|
iter = iter + 1_pInt
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! report begin of new iteration
|
! report begin of new iteration
|
||||||
write(6,'(/,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
|
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
|
||||||
' @ Iter. ', itmin, '≤',iter, '≤', itmax
|
' @ Iteration ', itmin, '≤',iter, '≤', itmax
|
||||||
if (debugRotation) &
|
if (debugRotation) &
|
||||||
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,rotation_BC))
|
math_transpose33(math_rotate_backward33(F_aim,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)
|
||||||
|
flush(6)
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! evaluate constitutive response
|
! evaluate constitutive response
|
||||||
F_aim_lastIter = F_aim
|
F_aim_lastIter = F_aim
|
||||||
|
|
@ -310,7 +312,8 @@ type(tSolutionState) function &
|
||||||
call Utilities_FFTbackward()
|
call Utilities_FFTbackward()
|
||||||
F = F - reshape(field_real(1:res(1),1:res(2),1:res(3),1:3,1:3),shape(F),order=[3,4,5,1,2]) ! F(x)^(n+1) = F(x)^(n) + correction; *wgt: correcting for missing normalization
|
F = F - reshape(field_real(1:res(1),1:res(2),1:res(3),1:3,1:3),shape(F),order=[3,4,5,1,2]) ! F(x)^(n+1) = F(x)^(n) + correction; *wgt: correcting for missing normalization
|
||||||
basic_solution%converged = basic_Converged(err_div,P_av,err_stress,P_av)
|
basic_solution%converged = basic_Converged(err_div,P_av,err_stress,P_av)
|
||||||
write(6,'(/,a)') '=========================================================================='
|
write(6,'(/,a)') ' =========================================================================='
|
||||||
|
flush(6)
|
||||||
if ((basic_solution%converged .and. iter >= itmin) .or. basic_solution%termIll) then
|
if ((basic_solution%converged .and. iter >= itmin) .or. basic_solution%termIll) then
|
||||||
basic_solution%iterationsNeeded = iter
|
basic_solution%iterationsNeeded = iter
|
||||||
exit
|
exit
|
||||||
|
|
@ -353,10 +356,11 @@ logical function basic_Converged(err_div,pAvgDiv,err_stress,pAvgStress)
|
||||||
basic_Converged = all([ err_div/pAvgDivL2/err_div_tol,&
|
basic_Converged = all([ err_div/pAvgDivL2/err_div_tol,&
|
||||||
err_stress/err_stress_tol ] < 1.0_pReal)
|
err_stress/err_stress_tol ] < 1.0_pReal)
|
||||||
|
|
||||||
write(6,'(a,f6.2,a,es11.4,a)') 'error divergence = ', err_div/pAvgDivL2/err_div_tol,&
|
write(6,'(/,a,f8.2,a,es11.5,a,es11.4,a)') ' error divergence = ', &
|
||||||
' (',err_div,' N/m³)'
|
err_div/pAvgDivL2/err_div_tol, ' (',err_div/pAvgDivL2,' / m, tol =',err_div_tol,')'
|
||||||
write(6,'(a,f6.2,a,es11.4,a)') 'error stress = ', err_stress/err_stress_tol, &
|
write(6,'(a,f8.2,a,es11.5,a,es11.4,a)') ' error stress BC = ', &
|
||||||
' (',err_stress,' Pa)'
|
err_stress/err_stress_tol, ' (',err_stress, ' Pa , tol =',err_stress_tol,')'
|
||||||
|
flush(6)
|
||||||
|
|
||||||
end function basic_Converged
|
end function basic_Converged
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -58,13 +58,16 @@ module DAMASK_spectral_SolverBasicPETSc
|
||||||
|
|
||||||
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
|
||||||
real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
|
real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
|
||||||
|
|
||||||
|
|
||||||
public :: basicPETSc_init, &
|
public :: &
|
||||||
basicPETSc_solution ,&
|
basicPETSc_init, &
|
||||||
basicPETSc_destroy
|
basicPETSc_solution ,&
|
||||||
contains
|
basicPETSc_destroy
|
||||||
|
|
||||||
|
contains
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief allocates all neccessary fields and fills them with data, potentially from restart info
|
!> @brief allocates all neccessary fields and fills them with data, potentially from restart info
|
||||||
|
|
@ -114,8 +117,7 @@ subroutine basicPETSc_init(temperature)
|
||||||
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverBasicPETSc init -+>>>'
|
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverBasicPETSc init -+>>>'
|
||||||
write(6,'(a)') ' $Id: DAMASK_spectral_SolverBasicPETSC.f90 1654 2012-08-03 09:25:48Z MPIE\m.diehl $'
|
write(6,'(a)') ' $Id: DAMASK_spectral_SolverBasicPETSC.f90 1654 2012-08-03 09:25:48Z MPIE\m.diehl $'
|
||||||
#include "compilation_info.f90"
|
#include "compilation_info.f90"
|
||||||
write(6,'(a)') ''
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! allocate global fields
|
! allocate global fields
|
||||||
allocate (F_lastInc(3,3,res(1),res(2),res(3)), source = 0.0_pReal)
|
allocate (F_lastInc(3,3,res(1),res(2),res(3)), source = 0.0_pReal)
|
||||||
|
|
@ -123,33 +125,27 @@ subroutine basicPETSc_init(temperature)
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! initialize solver specific parts of PETSc
|
! initialize solver specific parts of PETSc
|
||||||
call SNESCreate(PETSC_COMM_WORLD,snes,ierr)
|
call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
|
||||||
CHKERRQ(ierr)
|
|
||||||
call DMDACreate3d(PETSC_COMM_WORLD, &
|
call DMDACreate3d(PETSC_COMM_WORLD, &
|
||||||
DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, &
|
DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, &
|
||||||
DMDA_STENCIL_BOX,res(1),res(2),res(3),PETSC_DECIDE,PETSC_DECIDE,PETSC_DECIDE, &
|
DMDA_STENCIL_BOX,res(1),res(2),res(3),PETSC_DECIDE,PETSC_DECIDE,PETSC_DECIDE, &
|
||||||
9,1,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,da,ierr)
|
9,1,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,da,ierr); CHKERRQ(ierr)
|
||||||
CHKERRQ(ierr)
|
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr)
|
||||||
call DMCreateGlobalVector(da,solution_vec,ierr)
|
call DMDASetLocalFunction(da,BasicPETSC_formResidual,ierr); CHKERRQ(ierr)
|
||||||
CHKERRQ(ierr)
|
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
|
||||||
call DMDASetLocalFunction(da,BasicPETSC_formResidual,ierr)
|
|
||||||
CHKERRQ(ierr)
|
|
||||||
call SNESSetDM(snes,da,ierr)
|
|
||||||
CHKERRQ(ierr)
|
|
||||||
call SNESSetConvergenceTest(snes,BasicPETSC_converged,dummy,PETSC_NULL_FUNCTION,ierr)
|
call SNESSetConvergenceTest(snes,BasicPETSC_converged,dummy,PETSC_NULL_FUNCTION,ierr)
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
call SNESSetFromOptions(snes,ierr)
|
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr)
|
||||||
CHKERRQ(ierr)
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! init fields
|
! init fields
|
||||||
call DMDAVecGetArrayF90(da,solution_vec,F,ierr) ! get the data out of PETSc to work with
|
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! get the data out of PETSc to work with
|
||||||
CHKERRQ(ierr)
|
|
||||||
if (restartInc == 1_pInt) then ! no deformation (no restart)
|
if (restartInc == 1_pInt) then ! no deformation (no restart)
|
||||||
F_lastInc = spread(spread(spread(math_I3,3,res(1)),4,res(2)),5,res(3)) ! initialize to identity
|
F_lastInc = spread(spread(spread(math_I3,3,res(1)),4,res(2)),5,res(3)) ! initialize to identity
|
||||||
F = reshape(F_lastInc,[9,res(1),res(2),res(3)])
|
F = reshape(F_lastInc,[9,res(1),res(2),res(3)])
|
||||||
elseif (restartInc > 1_pInt) then ! using old values from file
|
elseif (restartInc > 1_pInt) then ! using old values from file
|
||||||
if (debugRestart) write(6,'(a,i6,a)') 'Reading values of increment ',&
|
if (debugRestart) write(6,'(/,a,i6,a)') ' reading values of increment ',&
|
||||||
restartInc - 1_pInt,' from file'
|
restartInc - 1_pInt,' from file'
|
||||||
flush(6)
|
flush(6)
|
||||||
call IO_read_jobBinaryFile(777,'F',&
|
call IO_read_jobBinaryFile(777,'F',&
|
||||||
|
|
@ -220,6 +216,7 @@ type(tSolutionState) function &
|
||||||
use FEsolving, only: &
|
use FEsolving, only: &
|
||||||
restartWrite, &
|
restartWrite, &
|
||||||
terminallyIll
|
terminallyIll
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
#include <finclude/petscdmda.h90>
|
#include <finclude/petscdmda.h90>
|
||||||
#include <finclude/petscsnes.h90>
|
#include <finclude/petscsnes.h90>
|
||||||
|
|
@ -240,15 +237,14 @@ type(tSolutionState) function &
|
||||||
PetscScalar, pointer :: F(:,:,:,:)
|
PetscScalar, pointer :: F(:,:,:,:)
|
||||||
PetscErrorCode :: ierr
|
PetscErrorCode :: ierr
|
||||||
SNESConvergedReason :: reason
|
SNESConvergedReason :: reason
|
||||||
|
|
||||||
incInfo = incInfoIn
|
incInfo = incInfoIn
|
||||||
|
|
||||||
call DMDAVecGetArrayF90(da,solution_vec,F,ierr)
|
call DMDAVecGetArrayF90(da,solution_vec,F,ierr)
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! write restart information for spectral solver
|
! write 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)
|
||||||
call IO_write_jobBinaryFile(777,'F',size(F)) ! writing deformation gradient field to file
|
call IO_write_jobBinaryFile(777,'F',size(F)) ! writing deformation gradient field to file
|
||||||
write (777,rec=1) F
|
write (777,rec=1) F
|
||||||
close (777)
|
close (777)
|
||||||
|
|
@ -296,8 +292,7 @@ type(tSolutionState) function &
|
||||||
|
|
||||||
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot,math_rotate_backward33(F_aim, &
|
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot,math_rotate_backward33(F_aim, &
|
||||||
rotation_BC)),[9,res(1),res(2),res(3)])
|
rotation_BC)),[9,res(1),res(2),res(3)])
|
||||||
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr)
|
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
|
||||||
CHKERRQ(ierr)
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! update stiffness (and gamma operator)
|
! update stiffness (and gamma operator)
|
||||||
|
|
@ -320,10 +315,12 @@ type(tSolutionState) function &
|
||||||
BasicPETSC_solution%converged =.false.
|
BasicPETSC_solution%converged =.false.
|
||||||
if (reason > 0 ) then
|
if (reason > 0 ) then
|
||||||
BasicPETSC_solution%converged = .true.
|
BasicPETSC_solution%converged = .true.
|
||||||
|
BasicPETSC_solution%iterationsNeeded = reportIter
|
||||||
endif
|
endif
|
||||||
|
|
||||||
end function BasicPETSc_solution
|
end function BasicPETSc_solution
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief forms the AL residual vector
|
!> @brief forms the AL residual vector
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
@ -350,26 +347,36 @@ subroutine BasicPETSC_formResidual(myIn,x_scal,f_scal,dummy,ierr)
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
DMDALocalInfo, dimension(*) :: myIn
|
DMDALocalInfo, dimension(*) :: myIn
|
||||||
PetscScalar, dimension(3,3,res(1),res(2),res(3)) :: x_scal
|
PetscScalar, dimension(3,3,res(1),res(2),res(3)) :: &
|
||||||
PetscScalar, dimension(3,3,res(1),res(2),res(3)):: f_scal
|
x_scal, &
|
||||||
|
f_scal
|
||||||
PetscInt :: iter, nfuncs
|
PetscInt :: iter, nfuncs
|
||||||
PetscObject :: dummy
|
PetscObject :: dummy
|
||||||
PetscErrorCode :: ierr
|
PetscErrorCode :: ierr
|
||||||
|
integer(pInt), save :: callNo = 3_pInt
|
||||||
|
logical :: report
|
||||||
|
|
||||||
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr)
|
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
||||||
CHKERRQ(ierr)
|
call SNESGetIterationNumber(snes,iter,ierr); CHKERRQ(ierr)
|
||||||
call SNESGetIterationNumber(snes,iter,ierr)
|
|
||||||
CHKERRQ(ierr)
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! report begin of new iteration
|
! report begin of new iteration
|
||||||
write(6,'(/,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
|
if (iter == 0 .and. callNo>2) then
|
||||||
' @ Iter. ', itmin, '≤', iter, '≤', itmax
|
callNo = 0_pInt
|
||||||
if (debugRotation) &
|
reportIter = 0_pInt
|
||||||
write(6,'(a,/,3(3(f12.7,1x)/))',advance='no') 'deformation gradient aim (lab)=', &
|
endif
|
||||||
math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
|
if (callNo == 0 .or. mod(callNo,2) == 1_pInt) then
|
||||||
write(6,'(a,/,3(3(f12.7,1x)/))',advance='no') 'deformation gradient aim =', &
|
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
|
||||||
math_transpose33(F_aim)
|
' @ Iteration ', itmin, '≤',reportIter, '≤', itmax
|
||||||
|
if (debugRotation) &
|
||||||
|
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)
|
||||||
|
reportIter = reportIter + 1_pInt
|
||||||
|
endif
|
||||||
|
callNo = callNo +1_pInt
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! evaluate constitutive response
|
! evaluate constitutive response
|
||||||
|
|
@ -395,8 +402,8 @@ subroutine BasicPETSC_formResidual(myIn,x_scal,f_scal,dummy,ierr)
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! constructing residual
|
! constructing residual
|
||||||
f_scal = reshape(field_real(1:res(1),1:res(2),1:res(3),1:3,1:3),shape(x_scal),order=[3,4,5,1,2])
|
f_scal = reshape(field_real(1:res(1),1:res(2),1:res(3),1:3,1:3),shape(x_scal),order=[3,4,5,1,2])
|
||||||
write(6,'(/,a)') '=========================================================================='
|
|
||||||
end subroutine BasicPETSc_formResidual
|
end subroutine BasicPETSc_formResidual
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -404,47 +411,53 @@ 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,it,xnorm,snorm,fnorm,reason,dummy,ierr)
|
||||||
|
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
itmax, &
|
itmax, &
|
||||||
itmin, &
|
itmin, &
|
||||||
err_div_tol, &
|
err_div_tol, &
|
||||||
err_stress_tolrel, &
|
err_stress_tolrel, &
|
||||||
err_stress_tolabs
|
err_stress_tolabs
|
||||||
|
|
||||||
use math, only: &
|
use math, only: &
|
||||||
math_mul33x33, &
|
math_mul33x33, &
|
||||||
math_eigenvalues33, &
|
math_eigenvalues33, &
|
||||||
math_transpose33
|
math_transpose33
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
|
|
||||||
SNES :: snes_local
|
SNES :: snes_local
|
||||||
PetscInt :: it
|
PetscInt :: it
|
||||||
PetscReal :: xnorm, snorm, fnorm
|
PetscReal :: &
|
||||||
|
xnorm, &
|
||||||
|
snorm, &
|
||||||
|
fnorm
|
||||||
SNESConvergedReason :: reason
|
SNESConvergedReason :: reason
|
||||||
PetscObject :: dummy
|
PetscObject :: dummy
|
||||||
PetscErrorCode :: ierr
|
PetscErrorCode :: ierr
|
||||||
logical :: Converged
|
logical :: Converged
|
||||||
real(pReal) :: pAvgDivL2
|
real(pReal) :: pAvgDivL2, &
|
||||||
|
err_stress_tol
|
||||||
|
|
||||||
|
err_stress_tol =min(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs)
|
||||||
|
|
||||||
pAvgDivL2 = sqrt(maxval(math_eigenvalues33(math_mul33x33(P_av,math_transpose33(P_av)))))
|
pAvgDivL2 = sqrt(maxval(math_eigenvalues33(math_mul33x33(P_av,math_transpose33(P_av)))))
|
||||||
Converged = (it > itmin .and. &
|
Converged = (it >= itmin .and. &
|
||||||
all([ err_div/pAvgDivL2/err_div_tol, &
|
all([ err_div/pAvgDivL2/err_div_tol, &
|
||||||
err_stress/min(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs)] < 1.0_pReal))
|
err_stress/err_stress_tol] < 1.0_pReal))
|
||||||
|
|
||||||
if (Converged) then
|
if (Converged) then
|
||||||
reason = 1
|
reason = 1
|
||||||
elseif (it > itmax) then
|
elseif (it >= itmax) then
|
||||||
reason = -1
|
reason = -1
|
||||||
else
|
else
|
||||||
reason = 0
|
reason = 0
|
||||||
endif
|
endif
|
||||||
|
write(6,'(1/,a)') ' ... reporting ....................................................'
|
||||||
write(6,'(a,f6.2,a,es11.4,a)') 'error divergence = ', err_div/pAvgDivL2/err_div_tol,&
|
write(6,'(/,a,f8.2,a,es11.5,a,es11.4,a)') ' error divergence = ', &
|
||||||
' (',err_div/pAvgDivL2,' N/m³)'
|
err_div/pAvgDivL2/err_div_tol, ' (',err_div/pAvgDivL2,' / m, tol =',err_div_tol,')'
|
||||||
write(6,'(a,f6.2,a,es11.4,a)') 'error stress = ', err_stress/min(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs), &
|
write(6,'(a,f8.2,a,es11.5,a,es11.4,a)') ' error stress BC = ', &
|
||||||
' (',err_stress,' Pa)'
|
err_stress/err_stress_tol, ' (',err_stress, ' Pa , tol =',err_stress_tol,')'
|
||||||
|
write(6,'(/,a)') ' =========================================================================='
|
||||||
|
flush(6)
|
||||||
|
|
||||||
end subroutine BasicPETSc_converged
|
end subroutine BasicPETSc_converged
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -452,23 +465,18 @@ end subroutine BasicPETSc_converged
|
||||||
!> @brief destroy routine
|
!> @brief destroy routine
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine BasicPETSc_destroy()
|
subroutine BasicPETSc_destroy()
|
||||||
|
|
||||||
use DAMASK_spectral_Utilities, only: &
|
use DAMASK_spectral_Utilities, only: &
|
||||||
Utilities_destroy
|
Utilities_destroy
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
PetscErrorCode :: ierr
|
PetscErrorCode :: ierr
|
||||||
|
|
||||||
call VecDestroy(solution_vec,ierr)
|
call VecDestroy(solution_vec,ierr); CHKERRQ(ierr)
|
||||||
CHKERRQ(ierr)
|
call SNESDestroy(snes,ierr); CHKERRQ(ierr)
|
||||||
call SNESDestroy(snes,ierr)
|
call DMDestroy(da,ierr); CHKERRQ(ierr)
|
||||||
CHKERRQ(ierr)
|
call PetscFinalize(ierr); CHKERRQ(ierr)
|
||||||
call DMDestroy(da,ierr)
|
|
||||||
CHKERRQ(ierr)
|
|
||||||
call PetscFinalize(ierr)
|
|
||||||
CHKERRQ(ierr)
|
|
||||||
call Utilities_destroy()
|
call Utilities_destroy()
|
||||||
CHKERRQ(ierr)
|
|
||||||
end subroutine BasicPETSc_destroy
|
end subroutine BasicPETSc_destroy
|
||||||
|
|
||||||
end module DAMASK_spectral_SolverBasicPETSc
|
end module DAMASK_spectral_SolverBasicPETSc
|
||||||
|
|
|
||||||
|
|
@ -139,6 +139,7 @@ subroutine utilities_init()
|
||||||
write(6,'(a)') ' $Id$'
|
write(6,'(a)') ' $Id$'
|
||||||
#include "compilation_info.f90"
|
#include "compilation_info.f90"
|
||||||
write(6,'(a)') ''
|
write(6,'(a)') ''
|
||||||
|
call flush(6)
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! set debugging parameters
|
! set debugging parameters
|
||||||
|
|
@ -149,14 +150,12 @@ subroutine utilities_init()
|
||||||
debugRotation = iand(debug_level(debug_spectral),debug_spectralRotation) /= 0
|
debugRotation = iand(debug_level(debug_spectral),debug_spectralRotation) /= 0
|
||||||
#ifdef PETSc
|
#ifdef PETSc
|
||||||
debugPETSc = iand(debug_level(debug_spectral),debug_spectralPETSc) /= 0
|
debugPETSc = iand(debug_level(debug_spectral),debug_spectralPETSc) /= 0
|
||||||
if(debugPETSc) write(6,'(a)') ' Initializing PETSc with debug options: ', trim(PETScDebug), &
|
if(debugPETSc) write(6,'(/,a)') ' Initializing PETSc with debug options: ', trim(PETScDebug), &
|
||||||
' add more using the PETSc_Options keyword in numerics.config '
|
' add more using the PETSc_Options keyword in numerics.config '
|
||||||
call PetscOptionsClear(ierr)
|
flush(6)
|
||||||
CHKERRQ(ierr)
|
call PetscOptionsClear(ierr); CHKERRQ(ierr)
|
||||||
if(debugPETSc) call PetscOptionsInsertString(trim(PETScDebug),ierr)
|
if(debugPETSc) call PetscOptionsInsertString(trim(PETScDebug),ierr); CHKERRQ(ierr)
|
||||||
CHKERRQ(ierr)
|
call PetscOptionsInsertString(trim(petsc_options),ierr); CHKERRQ(ierr)
|
||||||
call PetscOptionsInsertString(trim(petsc_options),ierr)
|
|
||||||
CHKERRQ(ierr)
|
|
||||||
#endif
|
#endif
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! allocation
|
! allocation
|
||||||
|
|
@ -214,7 +213,8 @@ subroutine utilities_init()
|
||||||
scalarField_fourier,scalarField_real,+1,fftw_planner_flag) ! input, output, backward (1), planner precision
|
scalarField_fourier,scalarField_real,+1,fftw_planner_flag) ! input, output, backward (1), planner precision
|
||||||
endif
|
endif
|
||||||
|
|
||||||
if (debugGeneral) write(6,'(a)') 'FFTW initialized'
|
if (debugGeneral) write(6,'(/,a)') ' FFTW initialized'
|
||||||
|
flush(6)
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! calculation of discrete angular frequencies, ordered as in FFTW (wrap around)
|
! calculation of discrete angular frequencies, ordered as in FFTW (wrap around)
|
||||||
|
|
@ -268,7 +268,8 @@ subroutine utilities_updateGamma(C,saveReference)
|
||||||
|
|
||||||
C_ref = C
|
C_ref = C
|
||||||
if (saveReference) then
|
if (saveReference) then
|
||||||
write(6,'(a)') 'writing reference stiffness to file'
|
write(6,'(/,a)') ' writing reference stiffness to file'
|
||||||
|
flush(6)
|
||||||
call IO_write_jobBinaryFile(777,'C_ref',size(C_ref))
|
call IO_write_jobBinaryFile(777,'C_ref',size(C_ref))
|
||||||
write (777,rec=1) C_ref
|
write (777,rec=1) C_ref
|
||||||
close(777)
|
close(777)
|
||||||
|
|
@ -330,14 +331,16 @@ subroutine utilities_FFTforward(row,column)
|
||||||
! comparing 1 and 3x3 FT results
|
! comparing 1 and 3x3 FT results
|
||||||
if (debugFFTW) then
|
if (debugFFTW) then
|
||||||
call fftw_execute_dft(plan_scalarField_forth,scalarField_real,scalarField_fourier)
|
call fftw_execute_dft(plan_scalarField_forth,scalarField_real,scalarField_fourier)
|
||||||
write(6,'(a,i1,1x,i1)') 'checking FT results of compontent ', row, column
|
write(6,'(/,a,i1,1x,i1,a)') ' .. checking FT results of compontent ', row, column, ' ..'
|
||||||
write(6,'(a,2(es11.4,1x))') 'max FT relative error = ',& ! print real and imaginary part seperately
|
flush(6)
|
||||||
|
write(6,'(/,a,2(es11.4,1x))') ' max FT relative error = ',& ! print real and imaginary part seperately
|
||||||
maxval( real((scalarField_fourier(1:res1_red,1:res(2),1:res(3))-&
|
maxval( real((scalarField_fourier(1:res1_red,1:res(2),1:res(3))-&
|
||||||
field_fourier(1:res1_red,1:res(2),1:res(3),row,column))/&
|
field_fourier(1:res1_red,1:res(2),1:res(3),row,column))/&
|
||||||
scalarField_fourier(1:res1_red,1:res(2),1:res(3)))), &
|
scalarField_fourier(1:res1_red,1:res(2),1:res(3)))), &
|
||||||
maxval(aimag((scalarField_fourier(1:res1_red,1:res(2),1:res(3))-&
|
maxval(aimag((scalarField_fourier(1:res1_red,1:res(2),1:res(3))-&
|
||||||
field_fourier(1:res1_red,1:res(2),1:res(3),row,column))/&
|
field_fourier(1:res1_red,1:res(2),1:res(3),row,column))/&
|
||||||
scalarField_fourier(1:res1_red,1:res(2),1:res(3))))
|
scalarField_fourier(1:res1_red,1:res(2),1:res(3))))
|
||||||
|
flush(6)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
@ -395,12 +398,14 @@ subroutine utilities_FFTbackward(row,column)
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! comparing 1 and 3x3 inverse FT results
|
! comparing 1 and 3x3 inverse FT results
|
||||||
if (debugFFTW) then
|
if (debugFFTW) then
|
||||||
write(6,'(a,i1,1x,i1)') 'checking iFT results of compontent ', row, column
|
write(6,'(/,a,i1,1x,i1,a)') ' ... checking iFT results of compontent ', row, column, ' ..'
|
||||||
|
flush(6)
|
||||||
call fftw_execute_dft(plan_scalarField_back,scalarField_fourier,scalarField_real)
|
call fftw_execute_dft(plan_scalarField_back,scalarField_fourier,scalarField_real)
|
||||||
write(6,'(a,es11.4)') 'max iFT relative error = ',&
|
write(6,'(/,a,es11.4)') ' max iFT relative error = ',&
|
||||||
maxval((real(scalarField_real(1:res(1),1:res(2),1:res(3)))-&
|
maxval((real(scalarField_real(1:res(1),1:res(2),1:res(3)))-&
|
||||||
field_real(1:res(1),1:res(2),1:res(3),row,column))/&
|
field_real(1:res(1),1:res(2),1:res(3),row,column))/&
|
||||||
real(scalarField_real(1:res(1),1:res(2),1:res(3))))
|
real(scalarField_real(1:res(1),1:res(2),1:res(3))))
|
||||||
|
flush(6)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
field_real = field_real * wgt ! normalize the result by number of elements
|
field_real = field_real * wgt ! normalize the result by number of elements
|
||||||
|
|
@ -453,8 +458,9 @@ subroutine utilities_fourierConvolution(fieldAim)
|
||||||
i, j, k, &
|
i, j, k, &
|
||||||
l, m, n, o
|
l, m, n, o
|
||||||
|
|
||||||
write(6,'(/,a)') '... doing convolution .....................................................'
|
write(6,'(/,a)') ' ... doing convolution .....................................................'
|
||||||
|
flush(6)
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! to the actual spectral method calculation (mechanical equilibrium)
|
! to the actual spectral method calculation (mechanical equilibrium)
|
||||||
if(memory_efficient) then ! memory saving version, on-the-fly calculation of gamma_hat
|
if(memory_efficient) then ! memory saving version, on-the-fly calculation of gamma_hat
|
||||||
|
|
@ -505,8 +511,8 @@ real(pReal) function utilities_divergenceRMS()
|
||||||
err_real_div_max !< maximum value of divergence in real space
|
err_real_div_max !< maximum value of divergence in real space
|
||||||
complex(pReal), dimension(3) :: temp3_complex
|
complex(pReal), dimension(3) :: temp3_complex
|
||||||
|
|
||||||
write(6,'(/,a)') '... calculating divergence ................................................'
|
write(6,'(/,a)') ' ... calculating divergence ................................................'
|
||||||
|
flush(6)
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! calculating RMS divergence criterion in Fourier space
|
! calculating RMS divergence criterion in Fourier space
|
||||||
utilities_divergenceRMS = 0.0_pReal
|
utilities_divergenceRMS = 0.0_pReal
|
||||||
|
|
@ -549,11 +555,12 @@ real(pReal) function utilities_divergenceRMS()
|
||||||
err_real_div_max = sqrt(maxval(sum(divergence_real**2.0_pReal,dim=4))) ! max in real space
|
err_real_div_max = sqrt(maxval(sum(divergence_real**2.0_pReal,dim=4))) ! max in real space
|
||||||
err_div_max = sqrt( err_div_max) ! max in Fourier space
|
err_div_max = sqrt( err_div_max) ! max in Fourier space
|
||||||
|
|
||||||
write(6,'(1x,a,es11.4)') 'error divergence FT RMS = ',err_div_RMS
|
write(6,'(/,1x,a,es11.4)') 'error divergence FT RMS = ',err_div_RMS
|
||||||
write(6,'(1x,a,es11.4)') 'error divergence Real RMS = ',err_real_div_RMS
|
write(6,'(1x,a,es11.4)') 'error divergence Real RMS = ',err_real_div_RMS
|
||||||
write(6,'(1x,a,es11.4)') 'error divergence post RMS = ',err_post_div_RMS
|
write(6,'(1x,a,es11.4)') 'error divergence post RMS = ',err_post_div_RMS
|
||||||
write(6,'(1x,a,es11.4)') 'error divergence FT max = ',err_div_max
|
write(6,'(1x,a,es11.4)') 'error divergence FT max = ',err_div_max
|
||||||
write(6,'(1x,a,es11.4)') 'error divergence Real max = ',err_real_div_max
|
write(6,'(1x,a,es11.4)') 'error divergence Real max = ',err_real_div_max
|
||||||
|
flush(6)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
end function utilities_divergenceRMS
|
end function utilities_divergenceRMS
|
||||||
|
|
@ -596,9 +603,13 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
||||||
allocate (sTimesC(size_reduced,size_reduced), source =0.0_pReal)
|
allocate (sTimesC(size_reduced,size_reduced), source =0.0_pReal)
|
||||||
|
|
||||||
temp99_Real = math_Plain3333to99(math_rotate_forward3333(C,rot_BC))
|
temp99_Real = math_Plain3333to99(math_rotate_forward3333(C,rot_BC))
|
||||||
if(debugGeneral) &
|
|
||||||
write(6,'(a,/,9(9(2x,f12.7,1x)/))',advance='no') 'Stiffness C rotated / GPa =',&
|
if(debugGeneral) then
|
||||||
|
write(6,'(/,a)') ' ... updating masked compliance ............................................'
|
||||||
|
write(6,'(/,a,/,9(9(2x,f12.7,1x)/))',advance='no') ' Stiffness C rotated / GPa =',&
|
||||||
transpose(temp99_Real)/1.e9_pReal
|
transpose(temp99_Real)/1.e9_pReal
|
||||||
|
flush(6)
|
||||||
|
endif
|
||||||
k = 0_pInt ! calculate reduced stiffness
|
k = 0_pInt ! calculate reduced stiffness
|
||||||
do n = 1_pInt,9_pInt
|
do n = 1_pInt,9_pInt
|
||||||
if(mask_stressVector(n)) then
|
if(mask_stressVector(n)) then
|
||||||
|
|
@ -633,9 +644,9 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
||||||
enddo
|
enddo
|
||||||
if(debugGeneral .or. errmatinv) then ! report
|
if(debugGeneral .or. errmatinv) then ! report
|
||||||
write(formatString, '(I16.16)') size_reduced
|
write(formatString, '(I16.16)') size_reduced
|
||||||
formatString = '(a,/,'//trim(formatString)//'('//trim(formatString)//'(2x,es9.2,1x)/))'
|
formatString = '(/,a,/,'//trim(formatString)//'('//trim(formatString)//'(2x,es9.2,1x)/))'
|
||||||
write(6,trim(formatString),advance='no') 'C * S', transpose(matmul(c_reduced,s_reduced))
|
write(6,trim(formatString),advance='no') ' C * S', transpose(matmul(c_reduced,s_reduced))
|
||||||
write(6,trim(formatString),advance='no') 'S', transpose(s_reduced)
|
write(6,trim(formatString),advance='no') ' S', transpose(s_reduced)
|
||||||
endif
|
endif
|
||||||
if(errmatinv) call IO_error(error_ID=400_pInt,ext_msg='utilities_maskedCompliance')
|
if(errmatinv) call IO_error(error_ID=400_pInt,ext_msg='utilities_maskedCompliance')
|
||||||
deallocate(c_reduced)
|
deallocate(c_reduced)
|
||||||
|
|
@ -645,8 +656,9 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
||||||
temp99_real = 0.0_pReal
|
temp99_real = 0.0_pReal
|
||||||
endif
|
endif
|
||||||
if(debugGeneral) & ! report
|
if(debugGeneral) & ! report
|
||||||
write(6,'(a,/,9(9(2x,f12.7,1x)/))',advance='no') 'Masked Compliance * GPa =', &
|
write(6,'(/,a,/,9(9(2x,f12.7,1x)/),/)',advance='no') ' Masked Compliance * GPa =', &
|
||||||
transpose(temp99_Real*1.e9_pReal)
|
transpose(temp99_Real*1.e9_pReal)
|
||||||
|
flush(6)
|
||||||
utilities_maskedCompliance = math_Plain99to3333(temp99_Real)
|
utilities_maskedCompliance = math_Plain99to3333(temp99_Real)
|
||||||
|
|
||||||
end function utilities_maskedCompliance
|
end function utilities_maskedCompliance
|
||||||
|
|
@ -693,7 +705,7 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,temperature,timeinc,&
|
||||||
real(pReal), dimension(6) :: sigma !< cauchy stress in mandel notation
|
real(pReal), dimension(6) :: sigma !< cauchy stress in mandel notation
|
||||||
real(pReal), dimension(6,6) :: dsde !< d sigma / d Epsilon
|
real(pReal), dimension(6,6) :: dsde !< d sigma / d Epsilon
|
||||||
|
|
||||||
write(6,'(/,a,/)') '... evaluating constitutive response ......................................'
|
write(6,'(/,a)') ' ... evaluating constitutive response ......................................'
|
||||||
if (forwardData) then ! aging results
|
if (forwardData) then ! aging results
|
||||||
calcMode = 1_pInt
|
calcMode = 1_pInt
|
||||||
collectMode = 4_pInt
|
collectMode = 4_pInt
|
||||||
|
|
@ -719,7 +731,7 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,temperature,timeinc,&
|
||||||
! write(6,'(a,1x,es11.4)') 'max determinant of deformation =', defgradDetMax
|
! write(6,'(a,1x,es11.4)') 'max determinant of deformation =', defgradDetMax
|
||||||
! write(6,'(a,1x,es11.4)') 'min determinant of deformation =', defgradDetMin
|
! write(6,'(a,1x,es11.4)') 'min determinant of deformation =', defgradDetMin
|
||||||
! endif
|
! endif
|
||||||
if (DebugGeneral) write(6,*) 'collect mode: ', collectMode,' calc mode: ', calcMode
|
if (DebugGeneral) write(6,'(/,2(a,i1.1))') ' collect mode: ', collectMode,' calc mode: ', calcMode
|
||||||
flush(6)
|
flush(6)
|
||||||
|
|
||||||
ielem = 0_pInt
|
ielem = 0_pInt
|
||||||
|
|
@ -751,11 +763,12 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,temperature,timeinc,&
|
||||||
|
|
||||||
P_av = sum(sum(sum(P,dim=5),dim=4),dim=3) * wgt ! average of P
|
P_av = sum(sum(sum(P,dim=5),dim=4),dim=3) * wgt ! average of P
|
||||||
if (debugRotation) &
|
if (debugRotation) &
|
||||||
write(6,'(a,/,3(3(2x,f12.7,1x)/))',advance='no') 'Piola--Kirchhoff stress (lab) / MPa =',&
|
write(6,'(/,a,/,3(3(2x,f12.7,1x)/))',advance='no') ' Piola--Kirchhoff stress (lab) / MPa =',&
|
||||||
math_transpose33(P_av)/1.e6_pReal
|
math_transpose33(P_av)/1.e6_pReal
|
||||||
P_av = math_rotate_forward33(P_av,rotation_BC)
|
P_av = math_rotate_forward33(P_av,rotation_BC)
|
||||||
write(6,'(a,/,3(3(2x,f12.7,1x)/))',advance='no') 'Piola--Kirchhoff stress / MPa =',&
|
write(6,'(/,a,/,3(3(2x,f12.7,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',&
|
||||||
math_transpose33(P_av)/1.e6_pReal
|
math_transpose33(P_av)/1.e6_pReal
|
||||||
|
|
||||||
end subroutine utilities_constitutiveResponse
|
end subroutine utilities_constitutiveResponse
|
||||||
|
|
||||||
|
|
||||||
|
|
|
||||||
111
code/IO.f90
111
code/IO.f90
|
|
@ -1298,7 +1298,8 @@ subroutine IO_error(error_ID,e,i,g,ext_msg)
|
||||||
character(len=*), optional, intent(in) :: ext_msg
|
character(len=*), optional, intent(in) :: ext_msg
|
||||||
|
|
||||||
character(len=1024) :: msg
|
character(len=1024) :: msg
|
||||||
|
character(len=1024) :: formatString
|
||||||
|
|
||||||
select case (error_ID)
|
select case (error_ID)
|
||||||
|
|
||||||
!* internal errors
|
!* internal errors
|
||||||
|
|
@ -1414,7 +1415,7 @@ subroutine IO_error(error_ID,e,i,g,ext_msg)
|
||||||
case (831_pInt)
|
case (831_pInt)
|
||||||
msg = 'mask consistency violated in spectral loadcase'
|
msg = 'mask consistency violated in spectral loadcase'
|
||||||
case (832_pInt)
|
case (832_pInt)
|
||||||
msg = 'ill-defined L (each line should be either fully or not at all defined) in spectral loadcase'
|
msg = 'ill-defined L (line party P) in spectral loadcase'
|
||||||
case (834_pInt)
|
case (834_pInt)
|
||||||
msg = 'negative time increment in spectral loadcase'
|
msg = 'negative time increment in spectral loadcase'
|
||||||
case (835_pInt)
|
case (835_pInt)
|
||||||
|
|
@ -1438,7 +1439,7 @@ subroutine IO_error(error_ID,e,i,g,ext_msg)
|
||||||
case (846_pInt)
|
case (846_pInt)
|
||||||
msg = 'not a rotation defined for loadcase rotation'
|
msg = 'not a rotation defined for loadcase rotation'
|
||||||
case (847_pInt)
|
case (847_pInt)
|
||||||
msg = 'updating of gamma operator not possible if it is pre calculated'
|
msg = 'update of gamma operator not possible when pre-calculated'
|
||||||
case (850_pInt)
|
case (850_pInt)
|
||||||
msg = 'max number of cut back exceeded'
|
msg = 'max number of cut back exceeded'
|
||||||
case (880_pInt)
|
case (880_pInt)
|
||||||
|
|
@ -1453,27 +1454,27 @@ subroutine IO_error(error_ID,e,i,g,ext_msg)
|
||||||
!* Error messages related to parsing of Abaqus input file
|
!* Error messages related to parsing of Abaqus input file
|
||||||
|
|
||||||
case (900_pInt)
|
case (900_pInt)
|
||||||
msg = 'PARSE ERROR: Improper definition of nodes in input file (Nnodes < 2)'
|
msg = 'improper definition of nodes in input file (Nnodes < 2)'
|
||||||
case (901_pInt)
|
case (901_pInt)
|
||||||
msg = 'PARSE ERROR: No Elements defined in input file (Nelems = 0)'
|
msg = 'no elements defined in input file (Nelems = 0)'
|
||||||
case (902_pInt)
|
case (902_pInt)
|
||||||
msg = 'PARSE ERROR: No Element sets defined in input file (Atleast one *Elset must exist)'
|
msg = 'no element sets defined in input file (No *Elset exists)'
|
||||||
case (903_pInt)
|
case (903_pInt)
|
||||||
msg = 'PARSE ERROR: No Materials defined in input file (Look into section assigments)'
|
msg = 'no materials defined in input file (Look into section assigments)'
|
||||||
case (904_pInt)
|
case (904_pInt)
|
||||||
msg = 'PARSE ERROR: No elements could be assigned for Elset: '
|
msg = 'no elements could be assigned for Elset: '
|
||||||
case (905_pInt)
|
case (905_pInt)
|
||||||
msg = 'PARSE ERROR: Error in mesh_abaqus_map_materials'
|
msg = 'error in mesh_abaqus_map_materials'
|
||||||
case (906_pInt)
|
case (906_pInt)
|
||||||
msg = 'PARSE ERROR: Error in mesh_abaqus_count_cpElements'
|
msg = 'error in mesh_abaqus_count_cpElements'
|
||||||
case (907_pInt)
|
case (907_pInt)
|
||||||
msg = 'PARSE ERROR: Incorrect size of mesh_mapFEtoCPelem in mesh_abaqus_map_elements; Size cannot be zero'
|
msg = 'size of mesh_mapFEtoCPelem in mesh_abaqus_map_elements'
|
||||||
case (908_pInt)
|
case (908_pInt)
|
||||||
msg = 'PARSE ERROR: Incorrect size of mesh_mapFEtoCPnode in mesh_abaqus_map_nodes; Size cannot be zero'
|
msg = 'size of mesh_mapFEtoCPnode in mesh_abaqus_map_nodes'
|
||||||
case (909_pInt)
|
case (909_pInt)
|
||||||
msg = 'PARSE ERROR: Incorrect size of mesh_node in mesh_abaqus_build_nodes; must be equal to mesh_Nnodes'
|
msg = 'size of mesh_node in mesh_abaqus_build_nodes not equal to mesh_Nnodes'
|
||||||
case (910_pInt)
|
case (910_pInt)
|
||||||
msg = 'PARSE ERROR: Incorrect element type mapping in '
|
msg = 'incorrect element type mapping in '
|
||||||
|
|
||||||
|
|
||||||
!* general error messages
|
!* general error messages
|
||||||
|
|
@ -1481,26 +1482,35 @@ subroutine IO_error(error_ID,e,i,g,ext_msg)
|
||||||
case (666_pInt)
|
case (666_pInt)
|
||||||
msg = 'memory leak detected'
|
msg = 'memory leak detected'
|
||||||
case default
|
case default
|
||||||
msg = 'Unknown error number...'
|
msg = 'unknown error number...'
|
||||||
|
|
||||||
end select
|
end select
|
||||||
|
|
||||||
!$OMP CRITICAL (write2out)
|
!$OMP CRITICAL (write2out)
|
||||||
write(6,*)
|
write(6,'(/,a)') ' +--------------------------------------------------------+'
|
||||||
write(6,'(a38)') '+------------------------------------+'
|
write(6,'(a)') ' + error +'
|
||||||
write(6,'(a38)') '+ error +'
|
write(6,'(a,i3,a)') ' + ',error_ID,' +'
|
||||||
write(6,'(a17,i3,a18)') '+ ',error_ID,' +'
|
write(6,'(a)') ' + +'
|
||||||
write(6,'(a38)') '+ +'
|
write(formatString,'(a,i6.6,a,i6.6,a)') '(1x,a2,a',len(trim(msg)),',',&
|
||||||
write(6,'(a2,a)') '+ ', trim(msg)
|
max(1,60-len(trim(msg))-5),'x,a)'
|
||||||
if (present(ext_msg)) write(6,'(a2,a)') '+ ', trim(ext_msg)
|
write(6,formatString) '+ ', trim(msg),'+'
|
||||||
|
if (present(ext_msg)) then
|
||||||
|
write(formatString,'(a,i6.6,a,i6.6,a)') '(1x,a2,a',len(trim(ext_msg)),',',&
|
||||||
|
max(1,60-len(trim(ext_msg))-5),'x,a)'
|
||||||
|
write(6,formatString) '+ ', trim(ext_msg),'+'
|
||||||
|
endif
|
||||||
if (present(e)) then
|
if (present(e)) then
|
||||||
if (present(i) .and. present(g)) then
|
if (present(i)) then
|
||||||
write(6,'(a13,i6,a4,i2,a7,i4,a2)') '+ at element ',e,' IP ',i,' grain ',g,' +'
|
if (present(g)) then
|
||||||
|
write(6,'(a13,1x,i9,1x,a2,1x,i2,1x,a5,1x,i4,18x,a1)') ' + at element',e,'IP',i,'grain',g,'+'
|
||||||
|
else
|
||||||
|
write(6,'(a13,1x,i9,1x,a2,1x,i2,29x,a1)') ' + at element',e,'IP',i,'+'
|
||||||
|
endif
|
||||||
else
|
else
|
||||||
write(6,'(a18,i6,a14)') '+ at ',e,' +'
|
write(6,'(a13,1x,i9,35x,a1)') ' + at element',e,'+'
|
||||||
endif
|
endif
|
||||||
endif
|
endif
|
||||||
write(6,'(a38)') '+------------------------------------+'
|
write(6,'(a)') ' +--------------------------------------------------------+'
|
||||||
flush(6)
|
flush(6)
|
||||||
call quit(9000_pInt+error_ID)
|
call quit(9000_pInt+error_ID)
|
||||||
!$OMP END CRITICAL (write2out)
|
!$OMP END CRITICAL (write2out)
|
||||||
|
|
@ -1521,6 +1531,7 @@ subroutine IO_warning(warning_ID,e,i,g,ext_msg)
|
||||||
character(len=*), optional, intent(in) :: ext_msg
|
character(len=*), optional, intent(in) :: ext_msg
|
||||||
|
|
||||||
character(len=1024) :: msg
|
character(len=1024) :: msg
|
||||||
|
character(len=1024) :: formatString
|
||||||
|
|
||||||
select case (warning_ID)
|
select case (warning_ID)
|
||||||
case (34_pInt)
|
case (34_pInt)
|
||||||
|
|
@ -1528,47 +1539,52 @@ subroutine IO_warning(warning_ID,e,i,g,ext_msg)
|
||||||
case (35_pInt)
|
case (35_pInt)
|
||||||
msg = 'could not get $DAMASK_NUM_THREADS'
|
msg = 'could not get $DAMASK_NUM_THREADS'
|
||||||
case (40_pInt)
|
case (40_pInt)
|
||||||
msg = 'Found Spectral solver parameter '
|
msg = 'found spectral solver parameter'
|
||||||
case (41_pInt)
|
case (41_pInt)
|
||||||
msg = 'Found PETSc solver parameter '
|
msg = 'found PETSc solver parameter'
|
||||||
case (42_pInt)
|
case (42_pInt)
|
||||||
msg = 'parameter has no effect '
|
msg = 'parameter has no effect'
|
||||||
case (47_pInt)
|
case (47_pInt)
|
||||||
msg = 'No valid parameter for FFTW given, using FFTW_PATIENT'
|
msg = 'no valid parameter for FFTW, using FFTW_PATIENT'
|
||||||
case (101_pInt)
|
case (101_pInt)
|
||||||
msg = '+ crystallite debugging off... +'
|
msg = 'crystallite debugging off'
|
||||||
case (600_pInt)
|
case (600_pInt)
|
||||||
msg = '+ crystallite responds elastically +'
|
msg = 'crystallite responds elastically'
|
||||||
case (601_pInt)
|
case (601_pInt)
|
||||||
msg = '+ stiffness close to zero +'
|
msg = 'stiffness close to zero'
|
||||||
case (650_pInt)
|
case (650_pInt)
|
||||||
msg = '+ polar decomposition failed +'
|
msg = 'polar decomposition failed'
|
||||||
case (700_pInt)
|
case (700_pInt)
|
||||||
msg = '+ unknown crystal symmetry +'
|
msg = 'unknown crystal symmetry'
|
||||||
case default
|
case default
|
||||||
msg = '+ unknown warning number... +'
|
msg = 'unknown warning number'
|
||||||
end select
|
end select
|
||||||
|
|
||||||
!$OMP CRITICAL (write2out)
|
!$OMP CRITICAL (write2out)
|
||||||
write(6,*)
|
write(6,'(/,a)') ' +--------------------------------------------------------+'
|
||||||
write(6,'(a38)') '+------------------------------------+'
|
write(6,'(a)') ' + warning +'
|
||||||
write(6,'(a38)') '+ warning +'
|
write(6,'(a,i3,a)') ' + ',warning_ID,' +'
|
||||||
write(6,'(a38)') '+ +'
|
write(6,'(a)') ' + +'
|
||||||
write(6,'(a17,i3,a18)') '+ ',warning_ID,' +'
|
write(formatString,'(a,i6.6,a,i6.6,a)') '(1x,a2,a',len(trim(msg)),',',&
|
||||||
write(6,'(a2,a)') '+ ', trim(msg)
|
max(1,60-len(trim(msg))-5),'x,a)'
|
||||||
if (present(ext_msg)) write(6,'(a2,a)') '+ ', trim(ext_msg)
|
write(6,formatString) '+ ', trim(msg),'+'
|
||||||
|
if (present(ext_msg)) then
|
||||||
|
write(formatString,'(a,i6.6,a,i6.6,a)') '(1x,a2,a',len(trim(ext_msg)),',',&
|
||||||
|
max(1,60-len(trim(ext_msg))-5),'x,a)'
|
||||||
|
write(6,formatString) '+ ', trim(ext_msg),'+'
|
||||||
|
endif
|
||||||
if (present(e)) then
|
if (present(e)) then
|
||||||
if (present(i)) then
|
if (present(i)) then
|
||||||
if (present(g)) then
|
if (present(g)) then
|
||||||
write(6,'(a12,1x,i6,1x,a2,1x,i2,1x,a5,1x,i4,a2)') '+ at element',e,'IP',i,'grain',g,' +'
|
write(6,'(a13,1x,i9,1x,a2,1x,i2,1x,a5,1x,i4,18x,a1)') ' + at element',e,'IP',i,'grain',g,'+'
|
||||||
else
|
else
|
||||||
write(6,'(a12,1x,i6,1x,a2,1x,i2,a13)') '+ at element',e,'IP',i,' +'
|
write(6,'(a13,1x,i9,1x,a2,1x,i2,29x,a1)') ' + at element',e,'IP',i,'+'
|
||||||
endif
|
endif
|
||||||
else
|
else
|
||||||
write(6,'(a12,1x,i6,a19)') '+ at element',e,' +'
|
write(6,'(a13,1x,i9,35x,a1)') ' + at element',e,'+'
|
||||||
endif
|
endif
|
||||||
endif
|
endif
|
||||||
write(6,'(a38)') '+------------------------------------+'
|
write(6,'(a)') ' +--------------------------------------------------------+'
|
||||||
flush(6)
|
flush(6)
|
||||||
!$OMP END CRITICAL (write2out)
|
!$OMP END CRITICAL (write2out)
|
||||||
|
|
||||||
|
|
@ -1597,7 +1613,6 @@ recursive function abaqus_assembleInputFile(unit1,unit2) result(createSuccess)
|
||||||
logical :: createSuccess,fexist
|
logical :: createSuccess,fexist
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
do
|
do
|
||||||
read(unit2,'(A300)',END=220) line
|
read(unit2,'(A300)',END=220) line
|
||||||
positions = IO_stringPos(line,maxNchunks)
|
positions = IO_stringPos(line,maxNchunks)
|
||||||
|
|
|
||||||
|
|
@ -21,14 +21,16 @@
|
||||||
!##############################################################
|
!##############################################################
|
||||||
module numerics
|
module numerics
|
||||||
!##############################################################
|
!##############################################################
|
||||||
|
use prec, only: &
|
||||||
|
pInt, &
|
||||||
|
pReal
|
||||||
|
|
||||||
use prec, only: pInt, pReal
|
implicit none
|
||||||
|
private
|
||||||
|
character(len=64), parameter, private :: &
|
||||||
|
numerics_configFile = 'numerics.config' !< name of configuration file
|
||||||
|
|
||||||
implicit none
|
integer(pInt), protected, public :: &
|
||||||
character(len=64), parameter, private :: &
|
|
||||||
numerics_configFile = 'numerics.config' !< name of configuration file
|
|
||||||
|
|
||||||
integer(pInt), protected, public :: &
|
|
||||||
iJacoStiffness = 1_pInt, & !< frequency of stiffness update
|
iJacoStiffness = 1_pInt, & !< frequency of stiffness update
|
||||||
iJacoLpresiduum = 1_pInt, & !< frequency of Jacobian update of residuum in Lp
|
iJacoLpresiduum = 1_pInt, & !< frequency of Jacobian update of residuum in Lp
|
||||||
nHomog = 20_pInt, & !< homogenization loop limit (only for debugging info, loop limit is determined by "subStepMinHomog")
|
nHomog = 20_pInt, & !< homogenization loop limit (only for debugging info, loop limit is determined by "subStepMinHomog")
|
||||||
|
|
@ -37,10 +39,10 @@ integer(pInt), protected, public :: &
|
||||||
nState = 10_pInt, & !< state loop limit
|
nState = 10_pInt, & !< state loop limit
|
||||||
nStress = 40_pInt, & !< stress loop limit
|
nStress = 40_pInt, & !< stress loop limit
|
||||||
pert_method = 1_pInt !< method used in perturbation technique for tangent
|
pert_method = 1_pInt !< method used in perturbation technique for tangent
|
||||||
integer(pInt) :: numerics_integrationMode = 0_pInt !< integrationMode 1 = central solution ; integrationMode 2 = perturbation, Default 0: undefined, is not read from file
|
integer(pInt), public :: numerics_integrationMode = 0_pInt !< integrationMode 1 = central solution ; integrationMode 2 = perturbation, Default 0: undefined, is not read from file
|
||||||
integer(pInt), dimension(2) , protected, public :: &
|
integer(pInt), dimension(2) , protected, public :: &
|
||||||
numerics_integrator = 1_pInt !< method used for state integration (central & perturbed state), Default 1: fix-point iteration for both states
|
numerics_integrator = 1_pInt !< method used for state integration (central & perturbed state), Default 1: fix-point iteration for both states
|
||||||
real(pReal), protected, public :: &
|
real(pReal), protected, public :: &
|
||||||
relevantStrain = 1.0e-7_pReal, & !< strain increment considered significant (used by crystallite to determine whether strain inc is considered significant)
|
relevantStrain = 1.0e-7_pReal, & !< strain increment considered significant (used by crystallite to determine whether strain inc is considered significant)
|
||||||
defgradTolerance = 1.0e-7_pReal, & !< deviation of deformation gradient that is still allowed (used by CPFEM to determine outdated ffn1)
|
defgradTolerance = 1.0e-7_pReal, & !< deviation of deformation gradient that is still allowed (used by CPFEM to determine outdated ffn1)
|
||||||
pert_Fg = 1.0e-7_pReal, & !< strain perturbation for FEM Jacobi
|
pert_Fg = 1.0e-7_pReal, & !< strain perturbation for FEM Jacobi
|
||||||
|
|
@ -68,20 +70,20 @@ real(pReal), protected, public :: &
|
||||||
maxVolDiscr_RGC = 1.0e-5_pReal, & !< threshold of maximum volume discrepancy allowed
|
maxVolDiscr_RGC = 1.0e-5_pReal, & !< threshold of maximum volume discrepancy allowed
|
||||||
volDiscrMod_RGC = 1.0e+12_pReal, & !< stiffness of RGC volume discrepancy (zero = without volume discrepancy constraint)
|
volDiscrMod_RGC = 1.0e+12_pReal, & !< stiffness of RGC volume discrepancy (zero = without volume discrepancy constraint)
|
||||||
volDiscrPow_RGC = 5.0_pReal !< powerlaw penalty for volume discrepancy
|
volDiscrPow_RGC = 5.0_pReal !< powerlaw penalty for volume discrepancy
|
||||||
logical, protected, public :: &
|
logical, protected, public :: &
|
||||||
analyticJaco = .false., & !< use analytic Jacobian or perturbation, Default .false.: calculate Jacobian using perturbations
|
analyticJaco = .false., & !< use analytic Jacobian or perturbation, Default .false.: calculate Jacobian using perturbations
|
||||||
numerics_timeSyncing = .false. !< flag indicating if time synchronization in crystallite is used for nonlocal plasticity
|
numerics_timeSyncing = .false. !< flag indicating if time synchronization in crystallite is used for nonlocal plasticity
|
||||||
!* Random seeding parameters
|
!* Random seeding parameters
|
||||||
integer(pInt), protected, public :: &
|
integer(pInt), protected, public :: &
|
||||||
fixedSeed = 0_pInt !< fixed seeding for pseudo-random number generator, Default 0: use random seed
|
fixedSeed = 0_pInt !< fixed seeding for pseudo-random number generator, Default 0: use random seed
|
||||||
!* OpenMP variable
|
!* OpenMP variable
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||||||
integer(pInt), protected, public :: &
|
integer(pInt), protected, public :: &
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DAMASK_NumThreadsInt = 0_pInt !< value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive
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DAMASK_NumThreadsInt = 0_pInt !< value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive
|
||||||
|
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||||||
|
|
||||||
!* spectral parameters:
|
!* spectral parameters:
|
||||||
#ifdef Spectral
|
#ifdef Spectral
|
||||||
real(pReal), protected, public :: &
|
real(pReal), protected, public :: &
|
||||||
err_div_tol = 0.1_pReal, & !< Div(P)/avg(P)*meter
|
err_div_tol = 0.1_pReal, & !< Div(P)/avg(P)*meter
|
||||||
err_stress_tolrel = 0.01_pReal, & !< relative tolerance for fullfillment of stress BC, Default: 0.01 allowing deviation of 1% of maximum stress
|
err_stress_tolrel = 0.01_pReal, & !< relative tolerance for fullfillment of stress BC, Default: 0.01 allowing deviation of 1% of maximum stress
|
||||||
err_stress_tolabs = huge(1.0_pReal), & !< absolute tolerance for fullfillment of stress BC, Default: 0.01 allowing deviation of 1% of maximum stress
|
err_stress_tolabs = huge(1.0_pReal), & !< absolute tolerance for fullfillment of stress BC, Default: 0.01 allowing deviation of 1% of maximum stress
|
||||||
|
|
@ -89,28 +91,28 @@ real(pReal), protected, public :: &
|
||||||
err_p_tol = 1e-5_pReal, &
|
err_p_tol = 1e-5_pReal, &
|
||||||
fftw_timelimit = -1.0_pReal, & !< sets the timelimit of plan creation for FFTW, see manual on www.fftw.org, Default -1.0: disable timelimit
|
fftw_timelimit = -1.0_pReal, & !< sets the timelimit of plan creation for FFTW, see manual on www.fftw.org, Default -1.0: disable timelimit
|
||||||
rotation_tol = 1.0e-12_pReal !< tolerance of rotation specified in loadcase, Default 1.0e-12: first guess
|
rotation_tol = 1.0e-12_pReal !< tolerance of rotation specified in loadcase, Default 1.0e-12: first guess
|
||||||
character(len=64), private :: &
|
character(len=64), private :: &
|
||||||
fftw_plan_mode = 'FFTW_PATIENT' !< reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag
|
fftw_plan_mode = 'FFTW_PATIENT' !< reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag
|
||||||
character(len=64), protected, public :: &
|
character(len=64), protected, public :: &
|
||||||
myspectralsolver = 'basic' , & !< spectral solution method
|
myspectralsolver = 'basic' , & !< spectral solution method
|
||||||
myfilter = 'none' !< spectral filtering method
|
myfilter = 'none' !< spectral filtering method
|
||||||
character(len=1024), protected, public :: &
|
character(len=1024), protected, public :: &
|
||||||
petsc_options = '-snes_type ngmres &
|
petsc_options = '-snes_type ngmres &
|
||||||
&-snes_ngmres_anderson '
|
&-snes_ngmres_anderson '
|
||||||
integer(pInt), protected, public :: &
|
integer(pInt), protected, public :: &
|
||||||
fftw_planner_flag = 32_pInt, & !< conversion of fftw_plan_mode to integer, basically what is usually done in the include file of fftw
|
fftw_planner_flag = 32_pInt, & !< conversion of fftw_plan_mode to integer, basically what is usually done in the include file of fftw
|
||||||
itmax = 20_pInt, & !< maximum number of iterations
|
itmax = 20_pInt, & !< maximum number of iterations
|
||||||
itmin = 2_pInt, & !< minimum number of iterations
|
itmin = 2_pInt, & !< minimum number of iterations
|
||||||
maxCutBack = 3_pInt, & !< max number of cut backs
|
maxCutBack = 3_pInt, & !< max number of cut backs
|
||||||
regridMode = 0_pInt !< 0: no regrid; 1: regrid if DAMASK doesn't converge; 2: regrid if DAMASK or BVP Solver doesn't converge
|
regridMode = 0_pInt !< 0: no regrid; 1: regrid if DAMASK doesn't converge; 2: regrid if DAMASK or BVP Solver doesn't converge
|
||||||
logical, protected , public :: &
|
logical, protected , public :: &
|
||||||
memory_efficient = .true., & !< for fast execution (pre calculation of gamma_hat), Default .true.: do not precalculate
|
memory_efficient = .true., & !< for fast execution (pre calculation of gamma_hat), Default .true.: do not precalculate
|
||||||
divergence_correction = .false., & !< correct divergence calculation in fourier space, Default .false.: no correction
|
divergence_correction = .false., & !< correct divergence calculation in fourier space, Default .false.: no correction
|
||||||
update_gamma = .false. !< update gamma operator with current stiffness, Default .false.: use initial stiffness
|
update_gamma = .false. !< update gamma operator with current stiffness, Default .false.: use initial stiffness
|
||||||
|
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
public :: numerics_init
|
public :: numerics_init
|
||||||
|
|
||||||
contains
|
contains
|
||||||
|
|
||||||
|
|
@ -151,7 +153,6 @@ subroutine numerics_init
|
||||||
write(6,*) '$Id$'
|
write(6,*) '$Id$'
|
||||||
#include "compilation_info.f90"
|
#include "compilation_info.f90"
|
||||||
|
|
||||||
|
|
||||||
!$ call GET_ENVIRONMENT_VARIABLE(NAME='DAMASK_NUM_THREADS',VALUE=DAMASK_NumThreadsString,STATUS=gotDAMASK_NUM_THREADS) ! get environment variable DAMASK_NUM_THREADS...
|
!$ call GET_ENVIRONMENT_VARIABLE(NAME='DAMASK_NUM_THREADS',VALUE=DAMASK_NumThreadsString,STATUS=gotDAMASK_NUM_THREADS) ! get environment variable DAMASK_NUM_THREADS...
|
||||||
!$ if(gotDAMASK_NUM_THREADS /= 0) call IO_warning(35_pInt,ext_msg=DAMASK_NumThreadsString)
|
!$ if(gotDAMASK_NUM_THREADS /= 0) call IO_warning(35_pInt,ext_msg=DAMASK_NumThreadsString)
|
||||||
!$ read(DAMASK_NumThreadsString,'(i6)') DAMASK_NumThreadsInt ! ...convert it to integer...
|
!$ read(DAMASK_NumThreadsString,'(i6)') DAMASK_NumThreadsInt ! ...convert it to integer...
|
||||||
|
|
@ -336,7 +337,7 @@ subroutine numerics_init
|
||||||
end select
|
end select
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
numerics_timeSyncing = numerics_timeSyncing .and. all(numerics_integrator==2_pInt) ! timeSyncing only allowed for explicit Euler integrator
|
numerics_timeSyncing = numerics_timeSyncing .and. all(numerics_integrator==2_pInt) ! timeSyncing only allowed for explicit Euler integrator
|
||||||
|
|
||||||
!* writing parameters to output file
|
!* writing parameters to output file
|
||||||
|
|
||||||
|
|
|
||||||
Loading…
Reference in New Issue