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fixing spectral cutback hiccup and multiple cleanups 

flush(6) at better places, added dedicated CPFEM_age subroutine, cleaned up cutback logic, fixed broken assignment of old timeinc, continueCalculation is now a logical, rearrnaged interfaces for utilities_constitutiveResponse and utilities_calculateRate, handling of stressBC more understandable, added more comments and explanations
This commit is contained in:
Philip Eisenlohr 2018-01-18 11:14:06 -05:00
parent 93073ed661
commit b36151cc32
8 changed files with 381 additions and 410 deletions
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3
src/CPFEM.f90
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@ -162,6 +162,7 @@ subroutine CPFEM_init
write(6,'(/,a)') ' <<<+- CPFEM init -+>>>' write(6,'(/,a)') ' <<<+- CPFEM init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp() write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90" #include "compilation_info.f90"
flush(6)
endif mainProcess endif mainProcess
! initialize stress and jacobian to zero ! initialize stress and jacobian to zero
@ -242,8 +243,8 @@ subroutine CPFEM_init
write(6,'(a32,1x,6(i8,1x))') 'CPFEM_dcsdE: ', shape(CPFEM_dcsdE) write(6,'(a32,1x,6(i8,1x))') 'CPFEM_dcsdE: ', shape(CPFEM_dcsdE)
write(6,'(a32,1x,6(i8,1x),/)') 'CPFEM_dcsdE_knownGood: ', shape(CPFEM_dcsdE_knownGood) write(6,'(a32,1x,6(i8,1x),/)') 'CPFEM_dcsdE_knownGood: ', shape(CPFEM_dcsdE_knownGood)
write(6,'(a32,l1)') 'symmetricSolver: ', symmetricSolver write(6,'(a32,l1)') 'symmetricSolver: ', symmetricSolver
flush(6)
endif endif
flush(6)
end subroutine CPFEM_init end subroutine CPFEM_init

158
src/CPFEM2.f90
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@ -9,7 +9,7 @@ module CPFEM2
private private
public :: & public :: &
CPFEM_general, & CPFEM_age, &
CPFEM_initAll CPFEM_initAll
contains contains
@ -127,6 +127,7 @@ subroutine CPFEM_init
write(6,'(/,a)') ' <<<+- CPFEM init -+>>>' write(6,'(/,a)') ' <<<+- CPFEM init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp() write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90" #include "compilation_info.f90"
flush(6)
endif mainProcess endif mainProcess
! *** restore the last converged values of each essential variable from the binary file ! *** restore the last converged values of each essential variable from the binary file
@ -194,7 +195,6 @@ subroutine CPFEM_init
restartRead = .false. restartRead = .false.
endif endif
flush(6)
end subroutine CPFEM_init end subroutine CPFEM_init
@ -202,7 +202,7 @@ end subroutine CPFEM_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief perform initialization at first call, update variables and call the actual material model !> @brief perform initialization at first call, update variables and call the actual material model
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine CPFEM_general(age, dt) subroutine CPFEM_age()
use prec, only: & use prec, only: &
pReal, & pReal, &
pInt pInt
@ -215,7 +215,6 @@ subroutine CPFEM_general(age, dt)
debug_levelExtensive, & debug_levelExtensive, &
debug_levelSelective debug_levelSelective
use FEsolving, only: & use FEsolving, only: &
terminallyIll, &
restartWrite restartWrite
use math, only: & use math, only: &
math_identity2nd, & math_identity2nd, &
@ -254,114 +253,99 @@ subroutine CPFEM_general(age, dt)
crystallite_dPdF, & crystallite_dPdF, &
crystallite_Tstar0_v, & crystallite_Tstar0_v, &
crystallite_Tstar_v crystallite_Tstar_v
use homogenization, only: &
materialpoint_stressAndItsTangent, &
materialpoint_postResults
use IO, only: & use IO, only: &
IO_write_jobRealFile, & IO_write_jobRealFile, &
IO_warning IO_warning
use DAMASK_interface use DAMASK_interface
implicit none implicit none
real(pReal), intent(in) :: dt !< time increment
logical, intent(in) :: age !< age results
integer(pInt) :: i, k, l, m, ph, homog, mySource integer(pInt) :: i, k, l, m, ph, homog, mySource
character(len=1024) :: rankStr character(len=32) :: rankStr
!*** age results and write restart data if requested if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
if (age) then write(6,'(a)') '<< CPFEM >> aging states'
crystallite_F0 = crystallite_partionedF ! crystallite deformation (_subF is perturbed...)
crystallite_Fp0 = crystallite_Fp ! crystallite plastic deformation
crystallite_Lp0 = crystallite_Lp ! crystallite plastic velocity
crystallite_Fi0 = crystallite_Fi ! crystallite intermediate deformation
crystallite_Li0 = crystallite_Li ! crystallite intermediate velocity
crystallite_dPdF0 = crystallite_dPdF ! crystallite stiffness
crystallite_Tstar0_v = crystallite_Tstar_v ! crystallite 2nd Piola Kirchhoff stress
forall ( i = 1:size(plasticState )) plasticState(i)%state0 = plasticState(i)%state ! copy state in this lenghty way because: A component cannot be an array if the encompassing structure is an array crystallite_F0 = crystallite_partionedF ! crystallite deformation (_subF is perturbed...)
do i = 1, size(sourceState) crystallite_Fp0 = crystallite_Fp ! crystallite plastic deformation
do mySource = 1,phase_Nsources(i) crystallite_Lp0 = crystallite_Lp ! crystallite plastic velocity
sourceState(i)%p(mySource)%state0 = sourceState(i)%p(mySource)%state ! copy state in this lenghty way because: A component cannot be an array if the encompassing structure is an array crystallite_Fi0 = crystallite_Fi ! crystallite intermediate deformation
enddo; enddo crystallite_Li0 = crystallite_Li ! crystallite intermediate velocity
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) & crystallite_dPdF0 = crystallite_dPdF ! crystallite stiffness
write(6,'(a)') '<< CPFEM >> aging states' crystallite_Tstar0_v = crystallite_Tstar_v ! crystallite 2nd Piola Kirchhoff stress
do homog = 1_pInt, material_Nhomogenization forall (i = 1:size(plasticState)) plasticState(i)%state0 = plasticState(i)%state ! copy state in this lengthy way because: A component cannot be an array if the encompassing structure is an array
homogState (homog)%state0 = homogState (homog)%state
thermalState (homog)%state0 = thermalState (homog)%state
damageState (homog)%state0 = damageState (homog)%state
vacancyfluxState (homog)%state0 = vacancyfluxState (homog)%state
hydrogenfluxState(homog)%state0 = hydrogenfluxState(homog)%state
enddo
do i = 1, size(sourceState)
do mySource = 1,phase_Nsources(i)
sourceState(i)%p(mySource)%state0 = sourceState(i)%p(mySource)%state ! copy state in this lengthy way because: A component cannot be an array if the encompassing structure is an array
enddo; enddo
if (restartWrite) then do homog = 1_pInt, material_Nhomogenization
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) & homogState (homog)%state0 = homogState (homog)%state
write(6,'(a)') '<< CPFEM >> writing state variables of last converged step to binary files' thermalState (homog)%state0 = thermalState (homog)%state
damageState (homog)%state0 = damageState (homog)%state
write(rankStr,'(a1,i0)')'_',worldrank vacancyfluxState (homog)%state0 = vacancyfluxState (homog)%state
hydrogenfluxState(homog)%state0 = hydrogenfluxState(homog)%state
enddo
call IO_write_jobRealFile(777,'recordedPhase'//trim(rankStr),size(material_phase)) if (restartWrite) then
write (777,rec=1) material_phase if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
close (777) write(6,'(a)') '<< CPFEM >> writing state variables of last converged step to binary files'
call IO_write_jobRealFile(777,'convergedF'//trim(rankStr),size(crystallite_F0)) write(rankStr,'(a1,i0)')'_',worldrank
write (777,rec=1) crystallite_F0
close (777)
call IO_write_jobRealFile(777,'convergedFp'//trim(rankStr),size(crystallite_Fp0)) call IO_write_jobRealFile(777,'recordedPhase'//trim(rankStr),size(material_phase))
write (777,rec=1) crystallite_Fp0 write (777,rec=1) material_phase; close (777)
close (777)
call IO_write_jobRealFile(777,'convergedFi'//trim(rankStr),size(crystallite_Fi0)) call IO_write_jobRealFile(777,'convergedF'//trim(rankStr),size(crystallite_F0))
write (777,rec=1) crystallite_Fi0 write (777,rec=1) crystallite_F0; close (777)
close (777)
call IO_write_jobRealFile(777,'convergedLp'//trim(rankStr),size(crystallite_Lp0)) call IO_write_jobRealFile(777,'convergedFp'//trim(rankStr),size(crystallite_Fp0))
write (777,rec=1) crystallite_Lp0 write (777,rec=1) crystallite_Fp0; close (777)
close (777)
call IO_write_jobRealFile(777,'convergedLi'//trim(rankStr),size(crystallite_Li0)) call IO_write_jobRealFile(777,'convergedFi'//trim(rankStr),size(crystallite_Fi0))
write (777,rec=1) crystallite_Li0 write (777,rec=1) crystallite_Fi0; close (777)
close (777)
call IO_write_jobRealFile(777,'convergeddPdF'//trim(rankStr),size(crystallite_dPdF0)) call IO_write_jobRealFile(777,'convergedLp'//trim(rankStr),size(crystallite_Lp0))
write (777,rec=1) crystallite_dPdF0 write (777,rec=1) crystallite_Lp0; close (777)
close (777)
call IO_write_jobRealFile(777,'convergedTstar'//trim(rankStr),size(crystallite_Tstar0_v)) call IO_write_jobRealFile(777,'convergedLi'//trim(rankStr),size(crystallite_Li0))
write (777,rec=1) crystallite_Tstar0_v write (777,rec=1) crystallite_Li0; close (777)
close (777)
call IO_write_jobRealFile(777,'convergedStateConst'//trim(rankStr)) call IO_write_jobRealFile(777,'convergeddPdF'//trim(rankStr),size(crystallite_dPdF0))
m = 0_pInt write (777,rec=1) crystallite_dPdF0; close (777)
writePlasticityInstances: do ph = 1_pInt, size(phase_plasticity)
do k = 1_pInt, plasticState(ph)%sizeState
do l = 1, size(plasticState(ph)%state0(1,:))
m = m+1_pInt
write(777,rec=m) plasticState(ph)%state0(k,l)
enddo; enddo
enddo writePlasticityInstances
close (777)
call IO_write_jobRealFile(777,'convergedStateHomog'//trim(rankStr)) call IO_write_jobRealFile(777,'convergedTstar'//trim(rankStr),size(crystallite_Tstar0_v))
m = 0_pInt write (777,rec=1) crystallite_Tstar0_v; close (777)
writeHomogInstances: do homog = 1_pInt, material_Nhomogenization
do k = 1_pInt, homogState(homog)%sizeState
do l = 1, size(homogState(homog)%state0(1,:))
m = m+1_pInt
write(777,rec=m) homogState(homog)%state0(k,l)
enddo; enddo
enddo writeHomogInstances
close (777)
endif call IO_write_jobRealFile(777,'convergedStateConst'//trim(rankStr))
endif m = 0_pInt
writePlasticityInstances: do ph = 1_pInt, size(phase_plasticity)
do k = 1_pInt, plasticState(ph)%sizeState
do l = 1, size(plasticState(ph)%state0(1,:))
m = m+1_pInt
write(777,rec=m) plasticState(ph)%state0(k,l)
enddo; enddo
enddo writePlasticityInstances
close (777)
if (.not. terminallyIll) & call IO_write_jobRealFile(777,'convergedStateHomog'//trim(rankStr))
call materialpoint_stressAndItsTangent(.True., dt) m = 0_pInt
writeHomogInstances: do homog = 1_pInt, material_Nhomogenization
do k = 1_pInt, homogState(homog)%sizeState
do l = 1, size(homogState(homog)%state0(1,:))
m = m+1_pInt
write(777,rec=m) homogState(homog)%state0(k,l)
enddo; enddo
enddo writeHomogInstances
close (777)
end subroutine CPFEM_general endif
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
write(6,'(a)') '<< CPFEM >> done aging states'
end subroutine CPFEM_age
end module CPFEM2 end module CPFEM2

122
src/DAMASK_spectral.f90
View File

@ -442,8 +442,9 @@ program DAMASK_spectral
if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_seek') if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_seek')
if (.not. appendToOutFile) then ! if not restarting, write 0th increment if (.not. appendToOutFile) then ! if not restarting, write 0th increment
write(6,'(1/,a)') ' ... writing initial configuration to file ........................'
do i = 1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output do i = 1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
outputIndex = int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, & outputIndex = int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, & ! QUESTION: why not starting i at 0 instead of murky 1?
min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt) min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
call MPI_file_write(resUnit, & call MPI_file_write(resUnit, &
reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)), & reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)), &
@ -453,24 +454,23 @@ program DAMASK_spectral
if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_write') if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_write')
enddo enddo
fileOffset = fileOffset + sum(outputSize) ! forward to current file position fileOffset = fileOffset + sum(outputSize) ! forward to current file position
write(6,'(1/,a)') ' ... writing initial configuration to file ........................'
endif endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! loopping over loadcases ! looping over loadcases
loadCaseLooping: do currentLoadCase = 1_pInt, size(loadCases) loadCaseLooping: do currentLoadCase = 1_pInt, size(loadCases)
time0 = time ! currentLoadCase start time time0 = time ! currentLoadCase start time
guess = loadCases(currentLoadCase)%followFormerTrajectory ! change of load case? homogeneous guess for the first inc guess = loadCases(currentLoadCase)%followFormerTrajectory ! change of load case? homogeneous guess for the first inc
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! loop oper incs defined in input file for current currentLoadCase ! loop over incs defined in input file for current currentLoadCase
incLooping: do inc = 1_pInt, loadCases(currentLoadCase)%incs incLooping: do inc = 1_pInt, loadCases(currentLoadCase)%incs
totalIncsCounter = totalIncsCounter + 1_pInt totalIncsCounter = totalIncsCounter + 1_pInt
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! forwarding time ! forwarding time
timeIncOld = timeinc timeIncOld = timeinc ! last timeinc that brought former inc to an end
if (loadCases(currentLoadCase)%logscale == 0_pInt) then ! linear scale if (loadCases(currentLoadCase)%logscale == 0_pInt) then ! linear scale
timeinc = loadCases(currentLoadCase)%time/real(loadCases(currentLoadCase)%incs,pReal) ! only valid for given linear time scale. will be overwritten later in case loglinear scale is used timeinc = loadCases(currentLoadCase)%time/real(loadCases(currentLoadCase)%incs,pReal)
else else
if (currentLoadCase == 1_pInt) then ! 1st currentLoadCase of logarithmic scale if (currentLoadCase == 1_pInt) then ! 1st currentLoadCase of logarithmic scale
if (inc == 1_pInt) then ! 1st inc of 1st currentLoadCase of logarithmic scale if (inc == 1_pInt) then ! 1st inc of 1st currentLoadCase of logarithmic scale
@ -486,20 +486,23 @@ program DAMASK_spectral
real(loadCases(currentLoadCase)%incs ,pReal))) real(loadCases(currentLoadCase)%incs ,pReal)))
endif endif
endif endif
timeinc = timeinc / 2.0_pReal**real(cutBackLevel,pReal) ! depending on cut back level, decrease time step timeinc = timeinc / real(subStepFactor,pReal)**real(cutBackLevel,pReal) ! depending on cut back level, decrease time step
forwarding: if (totalIncsCounter >= restartInc) then skipping: if (totalIncsCounter < restartInc) then ! not yet at restart inc?
stepFraction = 0_pInt time = time + timeinc ! just advance time, skip already performed calculation
guess = .true. ! QUESTION:why forced guessing instead of inheriting loadcase preference
else skipping
stepFraction = 0_pInt ! fraction scaled by stepFactor**cutLevel
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! loop over sub incs ! loop over sub step
subIncLooping: do while (stepFraction/subStepFactor**cutBackLevel <1_pInt) subStepLooping: do while (stepFraction < subStepFactor**cutBackLevel)
time = time + timeinc ! forward time remainingLoadCaseTime = loadCases(currentLoadCase)%time+time0 - time
stepFraction = stepFraction + 1_pInt time = time + timeinc ! forward target time
remainingLoadCaseTime = time0 - time + loadCases(currentLoadCase)%time + timeInc stepFraction = stepFraction + 1_pInt ! count step
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! report begin of new increment ! report begin of new step
write(6,'(/,a)') ' ###########################################################################' write(6,'(/,a)') ' ###########################################################################'
write(6,'(1x,a,es12.5'//& write(6,'(1x,a,es12.5'//&
',a,'//IO_intOut(inc)//',a,'//IO_intOut(loadCases(currentLoadCase)%incs)//& ',a,'//IO_intOut(inc)//',a,'//IO_intOut(loadCases(currentLoadCase)%incs)//&
@ -509,11 +512,11 @@ program DAMASK_spectral
's: Increment ', inc, '/', loadCases(currentLoadCase)%incs,& 's: Increment ', inc, '/', loadCases(currentLoadCase)%incs,&
'-', stepFraction, '/', subStepFactor**cutBackLevel,& '-', stepFraction, '/', subStepFactor**cutBackLevel,&
' of load case ', currentLoadCase,'/',size(loadCases) ' of load case ', currentLoadCase,'/',size(loadCases)
flush(6)
write(incInfo,'(a,'//IO_intOut(totalIncsCounter)//',a,'//IO_intOut(sum(loadCases%incs))//& write(incInfo,'(a,'//IO_intOut(totalIncsCounter)//',a,'//IO_intOut(sum(loadCases%incs))//&
',a,'//IO_intOut(stepFraction)//',a,'//IO_intOut(subStepFactor**cutBackLevel)//')') & ',a,'//IO_intOut(stepFraction)//',a,'//IO_intOut(subStepFactor**cutBackLevel)//')') &
'Increment ',totalIncsCounter,'/',sum(loadCases%incs),& 'Increment ',totalIncsCounter,'/',sum(loadCases%incs),&
'-',stepFraction, '/', subStepFactor**cutBackLevel '-',stepFraction, '/', subStepFactor**cutBackLevel
flush(6)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! forward fields ! forward fields
@ -542,7 +545,7 @@ program DAMASK_spectral
end select end select
case(FIELD_THERMAL_ID); call spectral_thermal_forward() case(FIELD_THERMAL_ID); call spectral_thermal_forward()
case(FIELD_DAMAGE_ID); call spectral_damage_forward() case(FIELD_DAMAGE_ID); call spectral_damage_forward()
end select end select
enddo enddo
@ -582,65 +585,64 @@ program DAMASK_spectral
solres(field) = spectral_damage_solution(timeinc,timeIncOld,remainingLoadCaseTime) solres(field) = spectral_damage_solution(timeinc,timeIncOld,remainingLoadCaseTime)
end select end select
if (.not. solres(field)%converged) exit ! no solution found if (.not. solres(field)%converged) exit ! no solution found
enddo enddo
stagIter = stagIter + 1_pInt stagIter = stagIter + 1_pInt
stagIterate = stagIter < stagItMax .and. & stagIterate = stagIter < stagItMax &
all(solres(:)%converged) .and. & .and. all(solres(:)%converged) &
.not. all(solres(:)%stagConverged) .and. .not. all(solres(:)%stagConverged) ! stationary with respect to staggered iteration
enddo enddo
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! check solution ! check solution for either advance or retry
cutBack = .False.
if(solres(1)%termIll .or. .not. all(solres(:)%converged .and. solres(:)%stagConverged)) then ! no solution found if ( (continueCalculation .or. all(solres(:)%converged .and. solres(:)%stagConverged)) & ! don't care or did converge
if (cutBackLevel < maxCutBack) then ! do cut back .and. .not. solres(1)%termIll) then ! and acceptable solution found
write(6,'(/,a)') ' cut back detected' timeIncOld = timeinc
cutBack = .True. cutBack = .false.
stepFraction = (stepFraction - 1_pInt) * subStepFactor ! adjust to new denominator
cutBackLevel = cutBackLevel + 1_pInt
time = time - timeinc ! rewind time
timeinc = timeinc/2.0_pReal
elseif (solres(1)%termIll) then ! material point model cannot find a solution, exit in any casy
call IO_warning(850_pInt)
call MPI_file_close(resUnit,ierr)
close(statUnit)
call quit(-1_pInt*(lastRestartWritten+1_pInt)) ! quit and provide information about last restart inc written
elseif (continueCalculation == 1_pInt) then
guess = .true. ! accept non converged BVP solution
else ! default behavior, exit if spectral solver does not converge
call IO_warning(850_pInt)
call MPI_file_close(resUnit,ierr)
close(statUnit)
call quit(-1_pInt*(lastRestartWritten+1_pInt)) ! quit and provide information about last restart inc written
endif
else
guess = .true. ! start guessing after first converged (sub)inc guess = .true. ! start guessing after first converged (sub)inc
endif
if (.not. cutBack) then
if (worldrank == 0) then if (worldrank == 0) then
write(statUnit,*) totalIncsCounter, time, cutBackLevel, & write(statUnit,*) totalIncsCounter, time, cutBackLevel, &
solres%converged, solres%iterationsNeeded ! write statistics about accepted solution solres%converged, solres%iterationsNeeded
flush(statUnit) flush(statUnit)
endif endif
elseif (cutBackLevel < maxCutBack) then ! further cutbacking tolerated?
cutBack = .true.
stepFraction = (stepFraction - 1_pInt) * subStepFactor ! adjust to new denominator
cutBackLevel = cutBackLevel + 1_pInt
time = time - timeinc ! rewind time
timeinc = timeinc/real(subStepFactor,pReal) ! cut timestep
write(6,'(/,a)') ' cutting back '
else ! no more options to continue
call IO_warning(850_pInt)
call MPI_file_close(resUnit,ierr)
close(statUnit)
call quit(-1_pInt*(lastRestartWritten+1_pInt)) ! quit and provide information about last restart inc written
endif endif
enddo subIncLooping
enddo subStepLooping
cutBackLevel = max(0_pInt, cutBackLevel - 1_pInt) ! try half number of subincs next inc cutBackLevel = max(0_pInt, cutBackLevel - 1_pInt) ! try half number of subincs next inc
if(all(solres(:)%converged)) then ! report converged inc
if (all(solres(:)%converged)) then
convergedCounter = convergedCounter + 1_pInt convergedCounter = convergedCounter + 1_pInt
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & ! report converged inc
' increment ', totalIncsCounter, ' converged' ' increment ', totalIncsCounter, ' converged'
else else
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & ! report non-converged inc
' increment ', totalIncsCounter, ' NOT converged'
notConvergedCounter = notConvergedCounter + 1_pInt notConvergedCounter = notConvergedCounter + 1_pInt
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & ! report non-converged inc
' increment ', totalIncsCounter, ' NOT converged'
endif; flush(6) endif; flush(6)
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) then ! at output frequency if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) then ! at output frequency
if (worldrank == 0) & if (worldrank == 0) &
write(6,'(1/,a)') ' ... writing results to file ......................................' write(6,'(1/,a)') ' ... writing results to file ......................................'
flush(6)
call materialpoint_postResults() call materialpoint_postResults()
call MPI_file_seek (resUnit,fileOffset,MPI_SEEK_SET,ierr) call MPI_file_seek (resUnit,fileOffset,MPI_SEEK_SET,ierr)
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_seek') if (ierr /= 0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_seek')
do i=1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output do i=1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
outputIndex=int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, & outputIndex=int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, &
min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt) min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
@ -652,15 +654,12 @@ program DAMASK_spectral
enddo enddo
fileOffset = fileOffset + sum(outputSize) ! forward to current file position fileOffset = fileOffset + sum(outputSize) ! forward to current file position
endif endif
if( loadCases(currentLoadCase)%restartFrequency > 0_pInt .and. & ! at frequency of writing restart information set restart parameter for FEsolving if ( loadCases(currentLoadCase)%restartFrequency > 0_pInt & ! writing of restart info requested ...
mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! first call to CPFEM_general will write? .and. mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! ... and at frequency of writing restart information
restartWrite = .true. restartWrite = .true. ! set restart parameter for FEsolving
lastRestartWritten = inc lastRestartWritten = inc ! QUESTION: first call to CPFEM_general will write?
endif endif
else forwarding endif skipping
time = time + timeinc
guess = .true.
endif forwarding
enddo incLooping enddo incLooping
enddo loadCaseLooping enddo loadCaseLooping
@ -673,6 +672,7 @@ program DAMASK_spectral
real(convergedCounter, pReal)/& real(convergedCounter, pReal)/&
real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, & real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, &
' %) increments converged!' ' %) increments converged!'
flush(6)
call MPI_file_close(resUnit,ierr) call MPI_file_close(resUnit,ierr)
close(statUnit) close(statUnit)

14
src/numerics.f90
View File

@ -120,9 +120,9 @@ module numerics
petsc_options = '' petsc_options = ''
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
continueCalculation = 0_pInt, & !< 0: exit if BVP solver does not converge, 1: continue calculation if BVP solver does not converge
divergence_correction = 2_pInt !< correct divergence calculation in fourier space 0: no correction, 1: size scaled to 1, 2: size scaled to Npoints divergence_correction = 2_pInt !< correct divergence calculation in fourier space 0: no correction, 1: size scaled to 1, 2: size scaled to Npoints
logical, protected, public :: & logical, protected, public :: &
continueCalculation = .false., & !< false:exit if BVP solver does not converge, true: continue calculation despite BVP solver not converging
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
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
@ -424,9 +424,9 @@ subroutine numerics_init
case ('err_stress_tolabs') case ('err_stress_tolabs')
err_stress_tolabs = IO_floatValue(line,chunkPos,2_pInt) err_stress_tolabs = IO_floatValue(line,chunkPos,2_pInt)
case ('continuecalculation') case ('continuecalculation')
continueCalculation = IO_intValue(line,chunkPos,2_pInt) continueCalculation = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
case ('memory_efficient') case ('memory_efficient')
memory_efficient = IO_intValue(line,chunkPos,2_pInt) > 0_pInt memory_efficient = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
case ('fftw_timelimit') case ('fftw_timelimit')
fftw_timelimit = IO_floatValue(line,chunkPos,2_pInt) fftw_timelimit = IO_floatValue(line,chunkPos,2_pInt)
case ('fftw_plan_mode') case ('fftw_plan_mode')
@ -436,7 +436,7 @@ subroutine numerics_init
case ('divergence_correction') case ('divergence_correction')
divergence_correction = IO_intValue(line,chunkPos,2_pInt) divergence_correction = IO_intValue(line,chunkPos,2_pInt)
case ('update_gamma') case ('update_gamma')
update_gamma = IO_intValue(line,chunkPos,2_pInt) > 0_pInt update_gamma = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
case ('petsc_options') case ('petsc_options')
petsc_options = trim(line(chunkPos(4):)) petsc_options = trim(line(chunkPos(4):))
case ('spectralsolver','myspectralsolver') case ('spectralsolver','myspectralsolver')
@ -599,7 +599,7 @@ subroutine numerics_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! spectral parameters ! spectral parameters
#ifdef Spectral #ifdef Spectral
write(6,'(a24,1x,i8)') ' continueCalculation: ',continueCalculation write(6,'(a24,1x,L8)') ' continueCalculation: ',continueCalculation
write(6,'(a24,1x,L8)') ' memory_efficient: ',memory_efficient write(6,'(a24,1x,L8)') ' memory_efficient: ',memory_efficient
write(6,'(a24,1x,i8)') ' divergence_correction: ',divergence_correction write(6,'(a24,1x,i8)') ' divergence_correction: ',divergence_correction
write(6,'(a24,1x,a)') ' spectral_derivative: ',trim(spectral_derivative) write(6,'(a24,1x,a)') ' spectral_derivative: ',trim(spectral_derivative)
@ -698,8 +698,6 @@ subroutine numerics_init
if (err_hydrogenflux_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_hydrogenflux_tolabs') if (err_hydrogenflux_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_hydrogenflux_tolabs')
if (err_hydrogenflux_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_hydrogenflux_tolrel') if (err_hydrogenflux_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_hydrogenflux_tolrel')
#ifdef Spectral #ifdef Spectral
if (continueCalculation /= 0_pInt .and. &
continueCalculation /= 1_pInt) call IO_error(301_pInt,ext_msg='continueCalculation')
if (divergence_correction < 0_pInt .or. & if (divergence_correction < 0_pInt .or. &
divergence_correction > 2_pInt) call IO_error(301_pInt,ext_msg='divergence_correction') divergence_correction > 2_pInt) call IO_error(301_pInt,ext_msg='divergence_correction')
if (update_gamma .and. & if (update_gamma .and. &
@ -713,7 +711,7 @@ subroutine numerics_init
if (polarAlpha <= 0.0_pReal .or. & if (polarAlpha <= 0.0_pReal .or. &
polarAlpha > 2.0_pReal) call IO_error(301_pInt,ext_msg='polarAlpha') polarAlpha > 2.0_pReal) call IO_error(301_pInt,ext_msg='polarAlpha')
if (polarBeta < 0.0_pReal .or. & if (polarBeta < 0.0_pReal .or. &
polarBeta > 2.0_pReal) call IO_error(301_pInt,ext_msg='polarBeta') polarBeta > 2.0_pReal) call IO_error(301_pInt,ext_msg='polarBeta')
#endif #endif
end subroutine numerics_init end subroutine numerics_init

30
src/spectral_mech_AL.f90
View File

@ -213,8 +213,9 @@ subroutine AL_init
endif restart endif restart
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc))) call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
call Utilities_constitutiveResponse(F_lastInc, reshape(F,shape(F_lastInc)), & call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, &
0.0_pReal,P,C_volAvg,C_minMaxAvg,temp33_Real,.false.,math_I3) reshape(F,shape(F_lastInc)), 0.0_pReal, math_I3)
nullify(F) nullify(F)
nullify(F_lambda) nullify(F_lambda)
call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! write data back to PETSc call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! write data back to PETSc
@ -364,12 +365,10 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
DMDALocalInfo, dimension(& DMDALocalInfo, dimension(&
DMDA_LOCAL_INFO_SIZE) :: & DMDA_LOCAL_INFO_SIZE) :: &
in in
PetscScalar, target, dimension(3,3,2, & PetscScalar, &
XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: & target, dimension(3,3,2, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: x_scal
x_scal PetscScalar, &
PetscScalar, target, dimension(3,3,2, & target, dimension(3,3,2, X_RANGE, Y_RANGE, Z_RANGE), intent(out) :: f_scal
X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: &
f_scal
PetscScalar, pointer, dimension(:,:,:,:,:) :: & PetscScalar, pointer, dimension(:,:,:,:,:) :: &
F, & F, &
F_lambda, & F_lambda, &
@ -441,8 +440,9 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! evaluate constitutive response ! evaluate constitutive response
P_avLastEval = P_av P_avLastEval = P_av
call Utilities_constitutiveResponse(F_lastInc,F - residual_F_lambda/polarBeta,params%timeinc, &
residual_F,C_volAvg,C_minMaxAvg,P_av,ForwardData,params%rotation_BC) call Utilities_constitutiveResponse(residual_F,P_av,C_volAvg,C_minMaxAvg, &
F - residual_F_lambda/polarBeta,params%timeinc, params%rotation_BC)
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
ForwardData = .False. ForwardData = .False.
@ -655,10 +655,12 @@ subroutine AL_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stre
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! update coordinates and rate and forward last inc ! update coordinates and rate and forward last inc
call utilities_updateIPcoords(F) call utilities_updateIPcoords(F)
Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), & Fdot = Utilities_calculateRate(guess, &
timeinc_old,guess,F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3])) F_lastInc, reshape(F, [3,3,grid(1),grid(2),grid3]), timeinc_old, &
F_lambdaDot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), & math_rotate_backward33(f_aimDot,rotation_BC))
timeinc_old,guess,F_lambda_lastInc,reshape(F_lambda,[3,3,grid(1),grid(2),grid3])) F_lambdaDot = Utilities_calculateRate(guess, &
F_lambda_lastInc,reshape(F_lambda,[3,3,grid(1),grid(2),grid3]), timeinc_old, &
math_rotate_backward33(f_aimDot,rotation_BC))
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3]) F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3])
F_lambda_lastInc = reshape(F_lambda,[3,3,grid(1),grid(2),grid3]) F_lambda_lastInc = reshape(F_lambda,[3,3,grid(1),grid(2),grid3])
endif endif

321
src/spectral_mech_Basic.f90
View File

@ -39,16 +39,16 @@ module spectral_mech_basic
! stress, stiffness and compliance average etc. ! stress, stiffness and compliance average etc.
real(pReal), private, dimension(3,3) :: & real(pReal), private, dimension(3,3) :: &
F_aim = math_I3, & F_aim = math_I3, &
F_aim_lastIter = math_I3, &
F_aim_lastInc = math_I3, & F_aim_lastInc = math_I3, &
P_av = 0.0_pReal, & P_av = 0.0_pReal, &
F_aimDot=0.0_pReal F_aimDot = 0.0_pReal
character(len=1024), private :: incInfo character(len=1024), private :: incInfo
real(pReal), private, dimension(3,3,3,3) :: & real(pReal), private, dimension(3,3,3,3) :: &
C_volAvg = 0.0_pReal, & !< current volume average stiffness C_volAvg = 0.0_pReal, & !< current volume average stiffness
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
S = 0.0_pReal !< current compliance (filled up with zeros) C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness
S = 0.0_pReal !< current compliance (filled up with zeros)
real(pReal), private :: err_stress, err_div real(pReal), private :: err_stress, err_div
logical, private :: ForwardData logical, private :: ForwardData
integer(pInt), private :: & integer(pInt), private :: &
@ -69,7 +69,7 @@ module spectral_mech_basic
contains contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief allocates all neccessary fields and fills them with data, potentially from restart info !> @brief allocates all necessary fields and fills them with data, potentially from restart info
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine basicPETSc_init subroutine basicPETSc_init
#ifdef __GFORTRAN__ #ifdef __GFORTRAN__
@ -90,6 +90,8 @@ subroutine basicPETSc_init
use numerics, only: & use numerics, only: &
worldrank, & worldrank, &
worldsize worldsize
use homogenization, only: &
materialpoint_F0
use DAMASK_interface, only: & use DAMASK_interface, only: &
getSolverJobName getSolverJobName
use spectral_utilities, only: & use spectral_utilities, only: &
@ -172,14 +174,11 @@ subroutine basicPETSc_init
flush(6) flush(6)
write(rankStr,'(a1,i0)')'_',worldrank write(rankStr,'(a1,i0)')'_',worldrank
call IO_read_realFile(777,'F'//trim(rankStr),trim(getSolverJobName()),size(F)) call IO_read_realFile(777,'F'//trim(rankStr),trim(getSolverJobName()),size(F))
read (777,rec=1) F read (777,rec=1) F; close (777)
close (777)
call IO_read_realFile(777,'F_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lastInc)) call IO_read_realFile(777,'F_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lastInc))
read (777,rec=1) F_lastInc read (777,rec=1) F_lastInc; close (777)
close (777)
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(f_aimDot)) call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(f_aimDot))
read (777,rec=1) f_aimDot read (777,rec=1) f_aimDot; close (777)
close (777)
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
elseif (restartInc == 1_pInt) then restart elseif (restartInc == 1_pInt) then restart
@ -187,41 +186,36 @@ subroutine basicPETSc_init
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3]) F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
endif restart endif restart
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc))) call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
call Utilities_constitutiveResponse(F_lastInc, reshape(F,shape(F_lastInc)), & call Utilities_constitutiveResponse(P, temp33_Real, C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
0.0_pReal, & reshape(F,shape(F_lastInc)), & ! target F
P, & 0.0_pReal, & ! time increment
C_volAvg,C_minMaxAvg, & ! global average of stiffness and (min+max)/2 math_I3) ! no rotation of boundary condition
temp33_Real, &
.false., &
math_I3)
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! write data back to PETSc call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! write data back to PETSc
! QUESTION: why not writing back right after reading (l.189)?
restartRead: if (restartInc > 1_pInt) then restartRead: if (restartInc > 1_pInt) then ! QUESTION: are those values not calc'ed by constitutiveResponse? why reading from file?
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) & if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') & write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
'reading more values of increment', restartInc - 1_pInt, 'from file' 'reading more values of increment', restartInc-1_pInt, 'from file'
flush(6) flush(6)
call IO_read_realFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg)) call IO_read_realFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg))
read (777,rec=1) C_volAvg read (777,rec=1) C_volAvg; close (777)
close (777)
call IO_read_realFile(777,'C_volAvgLastInc',trim(getSolverJobName()),size(C_volAvgLastInc)) call IO_read_realFile(777,'C_volAvgLastInc',trim(getSolverJobName()),size(C_volAvgLastInc))
read (777,rec=1) C_volAvgLastInc read (777,rec=1) C_volAvgLastInc; close (777)
close (777)
call IO_read_realFile(777,'C_ref',trim(getSolverJobName()),size(C_minMaxAvg)) call IO_read_realFile(777,'C_ref',trim(getSolverJobName()),size(C_minMaxAvg))
read (777,rec=1) C_minMaxAvg read (777,rec=1) C_minMaxAvg; close (777)
close (777)
endif restartRead endif restartRead
call Utilities_updateGamma(C_minmaxAvg,.True.) call Utilities_updateGamma(C_minmaxAvg,.true.)
end subroutine basicPETSc_init end subroutine basicPETSc_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief solution for the Basic PETSC scheme with internal iterations !> @brief solution for the Basic PETSC scheme with internal iterations
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
type(tSolutionState) function & type(tSolutionState) function basicPETSc_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC)
basicPETSc_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC)
use IO, only: & use IO, only: &
IO_error IO_error
use numerics, only: & use numerics, only: &
@ -238,13 +232,13 @@ type(tSolutionState) function &
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! input data for solution ! input data for solution
real(pReal), intent(in) :: &
timeinc, & !< increment in time for current solution
timeinc_old !< increment in time of last increment
type(tBoundaryCondition), intent(in) :: &
stress_BC
character(len=*), intent(in) :: & character(len=*), intent(in) :: &
incInfoIn incInfoIn
real(pReal), intent(in) :: &
timeinc, & !< increment time for current solution
timeinc_old !< increment time of last successful increment
type(tBoundaryCondition), intent(in) :: &
stress_BC
real(pReal), dimension(3,3), intent(in) :: rotation_BC real(pReal), dimension(3,3), intent(in) :: rotation_BC
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -279,14 +273,13 @@ type(tSolutionState) function &
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! check convergence ! check convergence
call SNESGetConvergedReason(snes,reason,ierr) call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
CHKERRQ(ierr)
BasicPETSc_solution%converged = reason > 0
basicPETSC_solution%iterationsNeeded = totalIter
basicPETSc_solution%termIll = terminallyIll basicPETSc_solution%termIll = terminallyIll
terminallyIll = .false. terminallyIll = .false.
BasicPETSc_solution%converged =.true. if (reason == -4) call IO_error(893_pInt) ! MPI error
if (reason == -4) call IO_error(893_pInt)
if (reason < 1) basicPETSC_solution%converged = .false.
basicPETSC_solution%iterationsNeeded = totalIter
end function BasicPETSc_solution end function BasicPETSc_solution
@ -322,19 +315,18 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
terminallyIll terminallyIll
implicit none implicit none
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: & DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in
in PetscScalar, &
PetscScalar, dimension(3,3, & dimension(3,3, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: x_scal !< what is this?
XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: & PetscScalar, &
x_scal dimension(3,3, X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: f_scal !< what is this?
PetscScalar, dimension(3,3, &
X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: &
f_scal
PetscInt :: & PetscInt :: &
PETScIter, & PETScIter, &
nfuncs nfuncs
PetscObject :: dummy PetscObject :: dummy
PetscErrorCode :: ierr PetscErrorCode :: ierr
real(pReal), dimension(3,3) :: &
deltaF_aim
external :: & external :: &
SNESGetNumberFunctionEvals, & SNESGetNumberFunctionEvals, &
@ -343,46 +335,45 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr) call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr) call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
if(nfuncs== 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
newIteration: if(totalIter <= PETScIter) then
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! report begin of new iteration ! begin of new iteration
newIteration: if (totalIter <= PETScIter) then
totalIter = totalIter + 1_pInt totalIter = totalIter + 1_pInt
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), & write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') &
' @ Iteration ', itmin, '≤',totalIter, '≤', itmax trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) & if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab) =', & write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC)) ' 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 =', & write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
math_transpose33(F_aim) ' deformation gradient aim =', math_transpose33(F_aim)
flush(6) flush(6)
endif newIteration endif newIteration
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! evaluate constitutive response ! evaluate constitutive response
call Utilities_constitutiveResponse(F_lastInc,x_scal,params%timeinc, & call Utilities_constitutiveResponse(f_scal,P_av,C_volAvg,C_minmaxAvg, &
f_scal,C_volAvg,C_minmaxAvg,P_av,ForwardData,params%rotation_BC) x_scal,params%timeinc, params%rotation_BC)
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
ForwardData = .false.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! stress BC handling ! stress BC handling
F_aim_lastIter = F_aim deltaF_aim = math_mul3333xx33(S, P_av - params%stress_BC)
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc F_aim = F_aim - deltaF_aim
err_stress = maxval(abs(mask_stress * (P_av - params%stress_BC))) ! mask = 0.0 for no bc err_stress = maxval(abs(mask_stress * (P_av - params%stress_BC))) ! mask = 0.0 when no stress bc
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! updated deformation gradient using fix point algorithm of basic scheme ! updated deformation gradient using fix point algorithm of basic scheme
tensorField_real = 0.0_pReal tensorField_real = 0.0_pReal
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = f_scal tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = f_scal
call utilities_FFTtensorForward() call utilities_FFTtensorForward() ! FFT forward of global "tensorField_real"
err_div = Utilities_divergenceRMS() err_div = Utilities_divergenceRMS() ! divRMS of tensorField_fourier
call utilities_fourierGammaConvolution(math_rotate_backward33(F_aim_lastIter-F_aim,params%rotation_BC)) call utilities_fourierGammaConvolution(math_rotate_backward33(deltaF_aim,params%rotation_BC)) ! convolution of Gamma and tensorField_fourier, with arg
call utilities_FFTtensorBackward() call utilities_FFTtensorBackward() ! FFT backward of global tensorField_fourier
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! constructing residual ! constructing residual
f_scal = tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) f_scal = tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) ! Gamma*P gives correction towards div(P) = 0, so needs to be zero, too
end subroutine BasicPETSc_formResidual end subroutine BasicPETSc_formResidual
@ -443,106 +434,120 @@ end subroutine BasicPETSc_converged
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief forwarding routine !> @brief forwarding routine
!> @details find new boundary conditions and best F estimate for end of current timestep
!> possibly writing restart information, triggering of state increment in DAMASK, and updating of IPcoordinates
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC) subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
use math, only: & use math, only: &
math_mul33x33 ,& math_mul33x33 ,&
math_rotate_backward33 math_rotate_backward33
use numerics, only: & use numerics, only: &
worldrank worldrank
use mesh, only: & use homogenization, only: &
grid, & materialpoint_F0
grid3 use mesh, only: &
use spectral_utilities, only: & grid, &
Utilities_calculateRate, & grid3
Utilities_forwardField, & use CPFEM2, only: &
Utilities_updateIPcoords, & CPFEM_age
tBoundaryCondition, & use spectral_utilities, only: &
cutBack Utilities_calculateRate, &
use IO, only: & Utilities_forwardField, &
IO_write_JobRealFile Utilities_updateIPcoords, &
use FEsolving, only: & tBoundaryCondition, &
restartWrite cutBack
use IO, only: &
IO_write_JobRealFile
use FEsolving, only: &
restartWrite
implicit none implicit none
real(pReal), intent(in) :: & logical, intent(in) :: &
timeinc_old, & guess
timeinc, & real(pReal), intent(in) :: &
loadCaseTime !< remaining time of current load case timeinc_old, &
type(tBoundaryCondition), intent(in) :: & timeinc, &
stress_BC, & loadCaseTime !< remaining time of current load case
deformation_BC type(tBoundaryCondition), intent(in) :: &
real(pReal), dimension(3,3), intent(in) :: rotation_BC stress_BC, &
logical, intent(in) :: & deformation_BC
guess real(pReal), dimension(3,3), intent(in) ::&
PetscErrorCode :: ierr rotation_BC
PetscScalar, pointer :: F(:,:,:,:) PetscErrorCode :: ierr
PetscScalar, pointer :: F(:,:,:,:)
character(len=1024) :: rankStr character(len=32) :: rankStr
call DMDAVecGetArrayF90(da,solution_vec,F,ierr) call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------
! restart information for spectral solver if (cutBack) then
if (restartWrite) then C_volAvg = C_volAvgLastInc ! QUESTION: where is this required?
write(6,'(/,a)') ' writing converged results for restart' C_minMaxAvg = C_minMaxAvgLastInc ! QUESTION: where is this required?
flush(6) else
write(rankStr,'(a1,i0)')'_',worldrank !--------------------------------------------------------------------------------------------------
call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file ! restart information for spectral solver
write (777,rec=1) F if (restartWrite) then ! QUESTION: where is this logical properly set?
close (777) write(6,'(/,a)') ' writing converged results for restart'
call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file flush(6)
write (777,rec=1) F_lastInc
close (777)
if (worldrank == 0_pInt) then
call IO_write_jobRealFile(777,'F_aimDot',size(F_aimDot))
write (777,rec=1) F_aimDot
close(777)
call IO_write_jobRealFile(777,'C_volAvg',size(C_volAvg))
write (777,rec=1) C_volAvg
close(777)
call IO_write_jobRealFile(777,'C_volAvgLastInc',size(C_volAvgLastInc))
write (777,rec=1) C_volAvgLastInc
close(777)
endif
endif
call utilities_updateIPcoords(F) if (worldrank == 0_pInt) then
call IO_write_jobRealFile(777,'C_volAvg',size(C_volAvg))
write (777,rec=1) C_volAvg; close(777)
call IO_write_jobRealFile(777,'C_volAvgLastInc',size(C_volAvgLastInc))
write (777,rec=1) C_volAvgLastInc; close(777)
call IO_write_jobRealFile(777,'C_minMaxAvg',size(C_volAvg))
write (777,rec=1) C_minMaxAvg; close(777)
call IO_write_jobRealFile(777,'C_minMaxAvgLastInc',size(C_volAvgLastInc))
write (777,rec=1) C_minMaxAvgLastInc; close(777)
endif
if (cutBack) then write(rankStr,'(a1,i0)')'_',worldrank
F_aim = F_aim_lastInc call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file
F = reshape(F_lastInc, [9,grid(1),grid(2),grid3]) write (777,rec=1) F; close (777)
C_volAvg = C_volAvgLastInc call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file
else write (777,rec=1) F_lastInc; close (777)
ForwardData = .True. endif
C_volAvgLastInc = C_volAvg
!-------------------------------------------------------------------------------------------------- call CPFEM_age() ! age state and kinematics
! calculate rate for aim call utilities_updateIPcoords(F)
if (deformation_BC%myType=='l') then ! calculate f_aimDot from given L and current F
f_aimDot = deformation_BC%maskFloat * math_mul33x33(deformation_BC%values, F_aim) C_volAvgLastInc = C_volAvg
elseif(deformation_BC%myType=='fdot') then ! f_aimDot is prescribed C_minMaxAvgLastInc = C_minMaxAvg
f_aimDot = deformation_BC%maskFloat * deformation_BC%values
elseif(deformation_BC%myType=='f') then ! aim at end of load case is prescribed if (guess) then ! QUESTION: better with a = L ? x:y
f_aimDot = deformation_BC%maskFloat * (deformation_BC%values -F_aim)/loadCaseTime F_aimDot = stress_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old ! initialize with correction based on last inc
endif else
if (guess) f_aimDot = f_aimDot + stress_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old F_aimDot = 0.0_pReal
F_aim_lastInc = F_aim endif
F_aim_lastInc = F_aim
!--------------------------------------------------------------------------------------------------
! calculate rate for aim
if (deformation_BC%myType=='l') then ! calculate f_aimDot from given L and current F
F_aimDot = &
F_aimDot + deformation_BC%maskFloat * math_mul33x33(deformation_BC%values, F_aim_lastInc)
elseif(deformation_BC%myType=='fdot') then ! f_aimDot is prescribed
F_aimDot = &
F_aimDot + deformation_BC%maskFloat * deformation_BC%values
elseif (deformation_BC%myType=='f') then ! aim at end of load case is prescribed
F_aimDot = &
F_aimDot + deformation_BC%maskFloat * (deformation_BC%values - F_aim_lastInc)/loadCaseTime
endif
Fdot = Utilities_calculateRate(guess, &
F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]),timeinc_old, &
math_rotate_backward33(f_aimDot,rotation_BC))
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3]) ! winding F forward
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! update coordinates and rate and forward last inc ! update average and local deformation gradients
call utilities_updateIPcoords(F) F_aim = F_aim_lastInc + f_aimDot * timeinc
Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), & F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average
timeinc_old,guess,F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3])) math_rotate_backward33(F_aim,rotation_BC)),[9,grid(1),grid(2),grid3])
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3]) call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
endif
F_aim = F_aim + f_aimDot * timeinc
!--------------------------------------------------------------------------------------------------
! update local deformation gradient
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! ensure that it matches rotated F_aim
math_rotate_backward33(F_aim,rotation_BC)),[9,grid(1),grid(2),grid3])
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
end subroutine BasicPETSc_forward end subroutine BasicPETSc_forward
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

32
src/spectral_mech_Polarisation.f90
View File

@ -213,8 +213,8 @@ subroutine Polarisation_init
endif restart endif restart
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc))) call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
call Utilities_constitutiveResponse(F_lastInc, reshape(F,shape(F_lastInc)), & call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, &
0.0_pReal,P,C_volAvg,C_minMaxAvg,temp33_Real,.false.,math_I3) reshape(F,shape(F_lastInc)),0.0_pReal,math_I3)
nullify(F) nullify(F)
nullify(F_tau) nullify(F_tau)
call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! write data back to PETSc call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! write data back to PETSc
@ -364,12 +364,10 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
DMDALocalInfo, dimension(& DMDALocalInfo, dimension(&
DMDA_LOCAL_INFO_SIZE) :: & DMDA_LOCAL_INFO_SIZE) :: &
in in
PetscScalar, target, dimension(3,3,2, & PetscScalar, &
XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: & target, dimension(3,3,2, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: x_scal
x_scal PetscScalar, &
PetscScalar, target, dimension(3,3,2, & target, dimension(3,3,2, X_RANGE, Y_RANGE, Z_RANGE), intent(out) :: f_scal
X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: &
f_scal
PetscScalar, pointer, dimension(:,:,:,:,:) :: & PetscScalar, pointer, dimension(:,:,:,:,:) :: &
F, & F, &
F_tau, & F_tau, &
@ -440,8 +438,8 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! evaluate constitutive response ! evaluate constitutive response
P_avLastEval = P_av P_avLastEval = P_av
call Utilities_constitutiveResponse(F_lastInc,F - residual_F_tau/polarBeta,params%timeinc, & call Utilities_constitutiveResponse(residual_F,P_av,C_volAvg,C_minMaxAvg, &
residual_F,C_volAvg,C_minMaxAvg,P_av,ForwardData,params%rotation_BC) F - residual_F_tau/polarBeta,params%timeinc,params%rotation_BC)
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
ForwardData = .False. ForwardData = .False.
@ -654,13 +652,13 @@ subroutine Polarisation_forward(guess,timeinc,timeinc_old,loadCaseTime,deformati
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! update coordinates and rate and forward last inc ! update coordinates and rate and forward last inc
call utilities_updateIPcoords(F) call utilities_updateIPcoords(F)
Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), & Fdot = Utilities_calculateRate(guess, &
timeinc_old,guess,F_lastInc, & F_lastInc, reshape(F, [3,3,grid(1),grid(2),grid3]), timeinc_old, &
reshape(F,[3,3,grid(1),grid(2),grid3])) math_rotate_backward33( f_aimDot,rotation_BC))
F_tauDot = Utilities_calculateRate(math_rotate_backward33(2.0_pReal*f_aimDot,rotation_BC), & F_tauDot = Utilities_calculateRate(guess, &
timeinc_old,guess,F_tau_lastInc, & F_tau_lastInc, reshape(F_tau,[3,3,grid(1),grid(2),grid3]), timeinc_old, &
reshape(F_tau,[3,3,grid(1),grid(2),grid3])) math_rotate_backward33(2.0_pReal*f_aimDot,rotation_BC))
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3]) F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3])
F_tau_lastInc = reshape(F_tau,[3,3,grid(1),grid(2),grid3]) F_tau_lastInc = reshape(F_tau,[3,3,grid(1),grid(2),grid3])
endif endif

111
src/spectral_utilities.f90
View File

@ -16,7 +16,7 @@ module spectral_utilities
#include <petsc/finclude/petscsys.h> #include <petsc/finclude/petscsys.h>
include 'fftw3-mpi.f03' include 'fftw3-mpi.f03'
logical, public :: cutBack =.false. !< cut back of BVP solver in case convergence is not achieved or a material point is terminally ill logical, public :: cutBack = .false. !< cut back of BVP solver in case convergence is not achieved or a material point is terminally ill
integer(pInt), public, parameter :: maxPhaseFields = 2_pInt integer(pInt), public, parameter :: maxPhaseFields = 2_pInt
integer(pInt), public :: nActiveFields = 0_pInt integer(pInt), public :: nActiveFields = 0_pInt
@ -799,7 +799,7 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
call math_invert(size_reduced, c_reduced, s_reduced, errmatinv) ! invert reduced stiffness call math_invert(size_reduced, c_reduced, s_reduced, errmatinv) ! invert reduced stiffness
if (any(IEEE_is_NaN(s_reduced))) errmatinv = .true. if (any(IEEE_is_NaN(s_reduced))) errmatinv = .true.
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')
temp99_Real = 0.0_pReal ! fill up compliance with zeros temp99_Real = 0.0_pReal ! fill up compliance with zeros
k = 0_pInt k = 0_pInt
do n = 1_pInt,9_pInt do n = 1_pInt,9_pInt
@ -817,28 +817,30 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
sTimesC = matmul(c_reduced,s_reduced) sTimesC = matmul(c_reduced,s_reduced)
do m=1_pInt, size_reduced do m=1_pInt, size_reduced
do n=1_pInt, size_reduced do n=1_pInt, size_reduced
if(m==n .and. abs(sTimesC(m,n)) > (1.0_pReal + 10.0e-12_pReal)) errmatinv = .true. ! diagonal elements of S*C should be 1 errmatinv = errmatinv &
if(m/=n .and. abs(sTimesC(m,n)) > (0.0_pReal + 10.0e-12_pReal)) errmatinv = .true. ! off diagonal elements of S*C should be 0 .or. (m==n .and. abs(sTimesC(m,n)-1.0_pReal) > 1.0e-12_pReal) & ! diagonal elements of S*C should be 1
.or. (m/=n .and. abs(sTimesC(m,n)) > 1.0e-12_pReal) ! off-diagonal elements of S*C should be 0
enddo enddo
enddo enddo
if(debugGeneral .or. errmatinv) then if (debugGeneral .or. errmatinv) then
write(formatString, '(I16.16)') size_reduced write(formatString, '(i2)') 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 (load) ', & write(6,trim(formatString),advance='no') ' C * S (load) ', &
transpose(matmul(c_reduced,s_reduced)) transpose(matmul(c_reduced,s_reduced))
write(6,trim(formatString),advance='no') ' S (load) ', transpose(s_reduced) write(6,trim(formatString),advance='no') ' S (load) ', transpose(s_reduced)
if(errmatinv) call IO_error(error_ID=400_pInt,ext_msg='utilities_maskedCompliance')
endif endif
if(errmatinv) call IO_error(error_ID=400_pInt,ext_msg='utilities_maskedCompliance')
deallocate(c_reduced) deallocate(c_reduced)
deallocate(s_reduced) deallocate(s_reduced)
deallocate(sTimesC) deallocate(sTimesC)
else else
temp99_real = 0.0_pReal temp99_real = 0.0_pReal
endif endif
if(debugGeneral) & if(debugGeneral) then
write(6,'(/,a,/,9(9(2x,f12.7,1x)/),/)',advance='no') ' Masked Compliance (load) * GPa =', & write(6,'(/,a,/,9(9(2x,f10.5,1x)/),/)',advance='no') &
transpose(temp99_Real*1.e9_pReal) ' Masked Compliance (load) / GPa =', transpose(temp99_Real*1.e-9_pReal)
flush(6) flush(6)
endif
utilities_maskedCompliance = math_Plain99to3333(temp99_Real) utilities_maskedCompliance = math_Plain99to3333(temp99_Real)
end function utilities_maskedCompliance end function utilities_maskedCompliance
@ -924,10 +926,10 @@ end subroutine utilities_fourierTensorDivergence
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates constitutive response !> @brief calculate constitutive response from materialpoint_F0 to F during timeinc
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, & subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
P,C_volAvg,C_minmaxAvg,P_av,forwardData,rotation_BC) F,timeinc,rotation_BC)
use IO, only: & use IO, only: &
IO_error IO_error
use debug, only: & use debug, only: &
@ -940,31 +942,22 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
use mesh, only: & use mesh, only: &
grid,& grid,&
grid3 grid3
use FEsolving, only: &
restartWrite
use CPFEM2, only: &
CPFEM_general
use homogenization, only: & use homogenization, only: &
materialpoint_F0, &
materialpoint_F, & materialpoint_F, &
materialpoint_P, & materialpoint_P, &
materialpoint_dPdF materialpoint_dPdF, &
materialpoint_stressAndItsTangent
implicit none implicit none
real(pReal), intent(in), dimension(3,3,grid(1),grid(2),grid3) :: &
F_lastInc, & !< target deformation gradient
F !< previous deformation gradient
real(pReal), intent(in) :: timeinc !< loading time
logical, intent(in) :: forwardData !< age results
real(pReal), intent(in), dimension(3,3) :: rotation_BC !< rotation of load frame
real(pReal),intent(out), dimension(3,3,3,3) :: C_volAvg, C_minmaxAvg !< average stiffness real(pReal),intent(out), dimension(3,3,3,3) :: C_volAvg, C_minmaxAvg !< average stiffness
real(pReal),intent(out), dimension(3,3) :: P_av !< average PK stress real(pReal),intent(out), dimension(3,3) :: P_av !< average PK stress
real(pReal),intent(out), dimension(3,3,grid(1),grid(2),grid3) :: P !< PK stress real(pReal),intent(out), dimension(3,3,grid(1),grid(2),grid3) :: P !< PK stress
logical :: & real(pReal), intent(in), dimension(3,3,grid(1),grid(2),grid3) :: F !< deformation gradient target !< previous deformation gradient
age real(pReal), intent(in) :: timeinc !< loading time
real(pReal), intent(in), dimension(3,3) :: rotation_BC !< rotation of load frame
integer(pInt) :: & integer(pInt) :: &
j,k,ierr j,k,ierr
real(pReal), dimension(3,3,3,3) :: max_dPdF, min_dPdF real(pReal), dimension(3,3,3,3) :: max_dPdF, min_dPdF
@ -975,17 +968,9 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
write(6,'(/,a)') ' ... evaluating constitutive response ......................................' write(6,'(/,a)') ' ... evaluating constitutive response ......................................'
flush(6) flush(6)
age = .False.
materialpoint_F = reshape(F,[3,3,1,product(grid(1:2))*grid3]) ! set materialpoint target F to estimated field
if (forwardData) then ! aging results
age = .True.
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3])
endif
if (cutBack) age = .False. ! restore saved variables
materialpoint_F = reshape(F,[3,3,1,product(grid(1:2))*grid3])
call debug_reset() ! this has no effect on rank >0
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calculate bounds of det(F) and report ! calculate bounds of det(F) and report
if(debugGeneral) then if(debugGeneral) then
@ -1002,7 +987,19 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
flush(6) flush(6)
endif endif
call CPFEM_general(age,timeinc) call debug_reset() ! this has no effect on rank >0
call materialpoint_stressAndItsTangent(.true.,timeinc) ! calculate P field
P = reshape(materialpoint_P, [3,3,grid(1),grid(2),grid3])
P_av = sum(sum(sum(P,dim=5),dim=4),dim=3) * wgt ! average of P
call MPI_Allreduce(MPI_IN_PLACE,P_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
if (debugRotation) &
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress (lab) / MPa =',&
math_transpose33(P_av)*1.e-6_pReal
P_av = math_rotate_forward33(P_av,rotation_BC)
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',&
math_transpose33(P_av)*1.e-6_pReal
flush(6)
max_dPdF = 0.0_pReal max_dPdF = 0.0_pReal
max_dPdF_norm = 0.0_pReal max_dPdF_norm = 0.0_pReal
@ -1020,38 +1017,24 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
end do end do
call MPI_Allreduce(MPI_IN_PLACE,max_dPdF,81,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,max_dPdF,81,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr)
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_Allreduce max') if (ierr /= 0_pInt) call IO_error(894_pInt, ext_msg='MPI_Allreduce max')
call MPI_Allreduce(MPI_IN_PLACE,min_dPdF,81,MPI_DOUBLE,MPI_MIN,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,min_dPdF,81,MPI_DOUBLE,MPI_MIN,PETSC_COMM_WORLD,ierr)
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_Allreduce min') if (ierr /= 0_pInt) call IO_error(894_pInt, ext_msg='MPI_Allreduce min')
C_minmaxAvg = 0.5_pReal*(max_dPdF + min_dPdF) C_minmaxAvg = 0.5_pReal*(max_dPdF + min_dPdF)
C_volAvg = sum(sum(materialpoint_dPdF,dim=6),dim=5) * wgt
C_volAvg = sum(sum(materialpoint_dPdF,dim=6),dim=5) * wgt
call MPI_Allreduce(MPI_IN_PLACE,C_volAvg,81,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,C_volAvg,81,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
call debug_info() ! this has no effect on rank >0 call debug_info() ! this has no effect on rank >0
restartWrite = .false. ! reset restartWrite status
cutBack = .false. ! reset cutBack status
P = reshape(materialpoint_P, [3,3,grid(1),grid(2),grid3])
P_av = sum(sum(sum(P,dim=5),dim=4),dim=3) * wgt ! average of P
call MPI_Allreduce(MPI_IN_PLACE,P_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
if (debugRotation) &
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress (lab) / MPa =',&
math_transpose33(P_av)*1.e-6_pReal
P_av = math_rotate_forward33(P_av,rotation_BC)
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',&
math_transpose33(P_av)*1.e-6_pReal
flush(6)
end subroutine utilities_constitutiveResponse end subroutine utilities_constitutiveResponse
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates forward rate, either guessing or just add delta/timeinc !> @brief calculates forward rate, either guessing or just add delta/timeinc
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function utilities_calculateRate(avRate,timeinc_old,guess,field_lastInc,field) pure function utilities_calculateRate(heterogeneous,field0,field,dt,avRate)
use mesh, only: & use mesh, only: &
grid3, & grid3, &
grid grid
@ -1059,17 +1042,17 @@ pure function utilities_calculateRate(avRate,timeinc_old,guess,field_lastInc,fie
implicit none implicit none
real(pReal), intent(in), dimension(3,3) :: avRate !< homogeneous addon real(pReal), intent(in), dimension(3,3) :: avRate !< homogeneous addon
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
timeinc_old !< timeinc of last step dt !< timeinc between field0 and field
logical, intent(in) :: & logical, intent(in) :: &
guess !< guess along former trajectory heterogeneous !< calculate field of rates
real(pReal), intent(in), dimension(3,3,grid(1),grid(2),grid3) :: & real(pReal), intent(in), dimension(3,3,grid(1),grid(2),grid3) :: &
field_lastInc, & !< data of previous step field0, & !< data of previous step
field !< data of current step field !< data of current step
real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: & real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: &
utilities_calculateRate utilities_calculateRate
if (guess) then if (heterogeneous) then
utilities_calculateRate = (field-field_lastInc) / timeinc_old utilities_calculateRate = (field-field0) / dt
else else
utilities_calculateRate = spread(spread(spread(avRate,3,grid(1)),4,grid(2)),5,grid3) utilities_calculateRate = spread(spread(spread(avRate,3,grid(1)),4,grid(2)),5,grid3)
endif endif