included changes to correct cutback issue of spectral solver
This commit is contained in:
Philip Eisenlohr
parent
15b0fa90a1
commit
0a763ff116
182
src/CPFEM2.f90
182
src/CPFEM2.f90
|
|
@ -9,7 +9,7 @@ module CPFEM2
|
|||
private
|
||||
|
||||
public :: &
|
||||
CPFEM_general, &
|
||||
CPFEM_age, &
|
||||
CPFEM_initAll
|
||||
|
||||
contains
|
||||
|
|
@ -127,6 +127,7 @@ subroutine CPFEM_init
|
|||
write(6,'(/,a)') ' <<<+- CPFEM init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
flush(6)
|
||||
endif mainProcess
|
||||
|
||||
! *** restore the last converged values of each essential variable from the binary file
|
||||
|
|
@ -139,36 +140,28 @@ subroutine CPFEM_init
|
|||
write(rankStr,'(a1,i0)')'_',worldrank
|
||||
|
||||
call IO_read_intFile(777,'recordedPhase'//trim(rankStr),modelName,size(material_phase))
|
||||
read (777,rec=1) material_phase
|
||||
close (777)
|
||||
read (777,rec=1) material_phase; close (777)
|
||||
|
||||
call IO_read_realFile(777,'convergedF'//trim(rankStr),modelName,size(crystallite_F0))
|
||||
read (777,rec=1) crystallite_F0
|
||||
close (777)
|
||||
read (777,rec=1) crystallite_F0; close (777)
|
||||
|
||||
call IO_read_realFile(777,'convergedFp'//trim(rankStr),modelName,size(crystallite_Fp0))
|
||||
read (777,rec=1) crystallite_Fp0
|
||||
close (777)
|
||||
read (777,rec=1) crystallite_Fp0; close (777)
|
||||
|
||||
call IO_read_realFile(777,'convergedFi'//trim(rankStr),modelName,size(crystallite_Fi0))
|
||||
read (777,rec=1) crystallite_Fi0
|
||||
close (777)
|
||||
read (777,rec=1) crystallite_Fi0; close (777)
|
||||
|
||||
call IO_read_realFile(777,'convergedLp'//trim(rankStr),modelName,size(crystallite_Lp0))
|
||||
read (777,rec=1) crystallite_Lp0
|
||||
close (777)
|
||||
read (777,rec=1) crystallite_Lp0; close (777)
|
||||
|
||||
call IO_read_realFile(777,'convergedLi'//trim(rankStr),modelName,size(crystallite_Li0))
|
||||
read (777,rec=1) crystallite_Li0
|
||||
close (777)
|
||||
read (777,rec=1) crystallite_Li0; close (777)
|
||||
|
||||
call IO_read_realFile(777,'convergeddPdF'//trim(rankStr),modelName,size(crystallite_dPdF0))
|
||||
read (777,rec=1) crystallite_dPdF0
|
||||
close (777)
|
||||
read (777,rec=1) crystallite_dPdF0; close (777)
|
||||
|
||||
call IO_read_realFile(777,'convergedTstar'//trim(rankStr),modelName,size(crystallite_Tstar0_v))
|
||||
read (777,rec=1) crystallite_Tstar0_v
|
||||
close (777)
|
||||
read (777,rec=1) crystallite_Tstar0_v; close (777)
|
||||
|
||||
call IO_read_realFile(777,'convergedStateConst'//trim(rankStr),modelName)
|
||||
m = 0_pInt
|
||||
|
|
@ -194,7 +187,6 @@ subroutine CPFEM_init
|
|||
|
||||
restartRead = .false.
|
||||
endif
|
||||
flush(6)
|
||||
|
||||
end subroutine CPFEM_init
|
||||
|
||||
|
|
@ -202,7 +194,7 @@ end subroutine CPFEM_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @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: &
|
||||
pReal, &
|
||||
pInt
|
||||
|
|
@ -215,7 +207,6 @@ subroutine CPFEM_general(age, dt)
|
|||
debug_levelExtensive, &
|
||||
debug_levelSelective
|
||||
use FEsolving, only: &
|
||||
terminallyIll, &
|
||||
restartWrite
|
||||
use math, only: &
|
||||
math_identity2nd, &
|
||||
|
|
@ -254,114 +245,99 @@ subroutine CPFEM_general(age, dt)
|
|||
crystallite_dPdF, &
|
||||
crystallite_Tstar0_v, &
|
||||
crystallite_Tstar_v
|
||||
use homogenization, only: &
|
||||
materialpoint_stressAndItsTangent, &
|
||||
materialpoint_postResults
|
||||
use IO, only: &
|
||||
IO_write_jobRealFile, &
|
||||
IO_warning
|
||||
use DAMASK_interface
|
||||
|
||||
implicit none
|
||||
real(pReal), intent(in) :: dt !< time increment
|
||||
logical, intent(in) :: age !< age results
|
||||
|
||||
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 (age) then
|
||||
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
|
||||
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
|
||||
write(6,'(a)') '<< CPFEM >> aging states'
|
||||
|
||||
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
|
||||
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 lenghty way because: A component cannot be an array if the encompassing structure is an array
|
||||
enddo; enddo
|
||||
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
|
||||
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
|
||||
|
||||
do homog = 1_pInt, material_Nhomogenization
|
||||
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
|
||||
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
|
||||
|
||||
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
|
||||
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
|
||||
write(6,'(a)') '<< CPFEM >> writing state variables of last converged step to binary files'
|
||||
|
||||
write(rankStr,'(a1,i0)')'_',worldrank
|
||||
do homog = 1_pInt, material_Nhomogenization
|
||||
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
|
||||
|
||||
call IO_write_jobRealFile(777,'recordedPhase'//trim(rankStr),size(material_phase))
|
||||
write (777,rec=1) material_phase
|
||||
close (777)
|
||||
if (restartWrite) then
|
||||
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
|
||||
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 (777,rec=1) crystallite_F0
|
||||
close (777)
|
||||
write(rankStr,'(a1,i0)')'_',worldrank
|
||||
|
||||
call IO_write_jobRealFile(777,'convergedFp'//trim(rankStr),size(crystallite_Fp0))
|
||||
write (777,rec=1) crystallite_Fp0
|
||||
close (777)
|
||||
call IO_write_jobRealFile(777,'recordedPhase'//trim(rankStr),size(material_phase))
|
||||
write (777,rec=1) material_phase; close (777)
|
||||
|
||||
call IO_write_jobRealFile(777,'convergedFi'//trim(rankStr),size(crystallite_Fi0))
|
||||
write (777,rec=1) crystallite_Fi0
|
||||
close (777)
|
||||
call IO_write_jobRealFile(777,'convergedF'//trim(rankStr),size(crystallite_F0))
|
||||
write (777,rec=1) crystallite_F0; close (777)
|
||||
|
||||
call IO_write_jobRealFile(777,'convergedLp'//trim(rankStr),size(crystallite_Lp0))
|
||||
write (777,rec=1) crystallite_Lp0
|
||||
close (777)
|
||||
call IO_write_jobRealFile(777,'convergedFp'//trim(rankStr),size(crystallite_Fp0))
|
||||
write (777,rec=1) crystallite_Fp0; close (777)
|
||||
|
||||
call IO_write_jobRealFile(777,'convergedLi'//trim(rankStr),size(crystallite_Li0))
|
||||
write (777,rec=1) crystallite_Li0
|
||||
close (777)
|
||||
call IO_write_jobRealFile(777,'convergedFi'//trim(rankStr),size(crystallite_Fi0))
|
||||
write (777,rec=1) crystallite_Fi0; close (777)
|
||||
|
||||
call IO_write_jobRealFile(777,'convergeddPdF'//trim(rankStr),size(crystallite_dPdF0))
|
||||
write (777,rec=1) crystallite_dPdF0
|
||||
close (777)
|
||||
call IO_write_jobRealFile(777,'convergedLp'//trim(rankStr),size(crystallite_Lp0))
|
||||
write (777,rec=1) crystallite_Lp0; close (777)
|
||||
|
||||
call IO_write_jobRealFile(777,'convergedTstar'//trim(rankStr),size(crystallite_Tstar0_v))
|
||||
write (777,rec=1) crystallite_Tstar0_v
|
||||
close (777)
|
||||
call IO_write_jobRealFile(777,'convergedLi'//trim(rankStr),size(crystallite_Li0))
|
||||
write (777,rec=1) crystallite_Li0; close (777)
|
||||
|
||||
call IO_write_jobRealFile(777,'convergedStateConst'//trim(rankStr))
|
||||
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)
|
||||
call IO_write_jobRealFile(777,'convergeddPdF'//trim(rankStr),size(crystallite_dPdF0))
|
||||
write (777,rec=1) crystallite_dPdF0; close (777)
|
||||
|
||||
call IO_write_jobRealFile(777,'convergedStateHomog'//trim(rankStr))
|
||||
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)
|
||||
call IO_write_jobRealFile(777,'convergedTstar'//trim(rankStr),size(crystallite_Tstar0_v))
|
||||
write (777,rec=1) crystallite_Tstar0_v; close (777)
|
||||
|
||||
endif
|
||||
endif
|
||||
call IO_write_jobRealFile(777,'convergedStateConst'//trim(rankStr))
|
||||
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 materialpoint_stressAndItsTangent(.True., dt)
|
||||
call IO_write_jobRealFile(777,'convergedStateHomog'//trim(rankStr))
|
||||
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
|
||||
|
|
|
|||
|
|
@ -78,8 +78,7 @@ program DAMASK_spectral
|
|||
FIELD_UNDEFINED_ID, &
|
||||
FIELD_MECH_ID, &
|
||||
FIELD_THERMAL_ID, &
|
||||
FIELD_DAMAGE_ID, &
|
||||
utilities_calcPlasticity
|
||||
FIELD_DAMAGE_ID
|
||||
use spectral_mech_Basic
|
||||
use spectral_mech_AL
|
||||
use spectral_mech_Polarisation
|
||||
|
|
@ -157,19 +156,6 @@ program DAMASK_spectral
|
|||
MPI_finalize, &
|
||||
MPI_allreduce, &
|
||||
PETScFinalize
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! variables related to stop criterion for yielding
|
||||
real(pReal) :: plasticWorkOld, plasticWorkNew, & ! plastic work
|
||||
eqTotalStrainOld, eqTotalStrainNew, & ! total equivalent strain
|
||||
eqPlasticStrainOld, eqPlasticStrainNew, & ! total equivalent plastic strain
|
||||
eqStressOld, eqStressNew , & ! equivalent stress
|
||||
yieldStopValue
|
||||
real(pReal), dimension(3,3) :: yieldStress,yieldStressOld,yieldStressNew, &
|
||||
plasticStrainOld, plasticStrainNew, plasticStrainRate
|
||||
integer(pInt) :: yieldResUnit = 0_pInt
|
||||
integer(pInt) :: stressstrainUnit = 0_pInt
|
||||
character(len=13) :: stopFlag
|
||||
logical :: yieldStop, yieldStopSatisfied
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! init DAMASK (all modules)
|
||||
|
|
@ -227,8 +213,6 @@ program DAMASK_spectral
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! reading the load case and assign values to the allocated data structure
|
||||
yieldStop = .False.
|
||||
yieldStopSatisfied = .False.
|
||||
rewind(FILEUNIT)
|
||||
do
|
||||
line = IO_read(FILEUNIT)
|
||||
|
|
@ -303,30 +287,10 @@ program DAMASK_spectral
|
|||
temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j)
|
||||
enddo
|
||||
loadCases(currentLoadCase)%rotation = math_plain9to33(temp_valueVector)
|
||||
case('totalstrain')
|
||||
yieldStop = .True.
|
||||
stopFlag = 'totalStrain'
|
||||
yieldStopValue = IO_floatValue(line,chunkPos,i+1_pInt)
|
||||
case('plasticstrain')
|
||||
yieldStop = .True.
|
||||
stopFlag = 'plasticStrain'
|
||||
yieldStopValue = IO_floatValue(line,chunkPos,i+1_pInt)
|
||||
case('plasticwork')
|
||||
yieldStop = .True.
|
||||
stopFlag = 'plasticWork'
|
||||
yieldStopValue = IO_floatValue(line,chunkPos,i+1_pInt)
|
||||
end select
|
||||
enddo; enddo
|
||||
close(FILEUNIT)
|
||||
|
||||
if(yieldStop) then ! initialize variables related to yield stop
|
||||
yieldStressNew = 0.0_pReal
|
||||
plasticStrainNew = 0.0_pReal
|
||||
eqStressNew = 0.0_pReal
|
||||
eqTotalStrainNew = 0.0_pReal
|
||||
eqPlasticStrainNew = 0.0_pReal
|
||||
plasticWorkNew = 0.0_pReal
|
||||
endif
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! consistency checks and output of load case
|
||||
loadCases(1)%followFormerTrajectory = .false. ! cannot guess along trajectory for first inc of first currentLoadCase
|
||||
|
|
@ -387,7 +351,7 @@ program DAMASK_spectral
|
|||
if (loadCases(currentLoadCase)%outputfrequency < 1_pInt) errorID = 836_pInt ! non-positive result frequency
|
||||
write(6,'(2x,a,i5)') 'output frequency: ', &
|
||||
loadCases(currentLoadCase)%outputfrequency
|
||||
write(6,'(2x,a,i5,/)') 'restart frequency: ', &
|
||||
write(6,'(2x,a,i5,/)') 'restart frequency: ', &
|
||||
loadCases(currentLoadCase)%restartfrequency
|
||||
if (errorID > 0_pInt) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message
|
||||
enddo checkLoadcases
|
||||
|
|
@ -478,8 +442,9 @@ program DAMASK_spectral
|
|||
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
|
||||
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
|
||||
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)
|
||||
call MPI_file_write(resUnit, &
|
||||
reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)), &
|
||||
|
|
@ -489,24 +454,23 @@ program DAMASK_spectral
|
|||
if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_write')
|
||||
enddo
|
||||
fileOffset = fileOffset + sum(outputSize) ! forward to current file position
|
||||
write(6,'(1/,a)') ' ... writing initial configuration to file ........................'
|
||||
endif
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! loopping over loadcases
|
||||
! looping over loadcases
|
||||
loadCaseLooping: do currentLoadCase = 1_pInt, size(loadCases)
|
||||
time0 = time ! currentLoadCase start time
|
||||
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
|
||||
totalIncsCounter = totalIncsCounter + 1_pInt
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! forwarding time
|
||||
timeIncOld = timeinc
|
||||
timeIncOld = timeinc ! last timeinc that brought former inc to an end
|
||||
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
|
||||
if (currentLoadCase == 1_pInt) then ! 1st currentLoadCase of logarithmic scale
|
||||
if (inc == 1_pInt) then ! 1st inc of 1st currentLoadCase of logarithmic scale
|
||||
|
|
@ -519,37 +483,43 @@ program DAMASK_spectral
|
|||
( (1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc,pReal)/&
|
||||
real(loadCases(currentLoadCase)%incs ,pReal))&
|
||||
-(1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( (inc-1_pInt),pReal)/&
|
||||
real(loadCases(currentLoadCase)%incs ,pReal)))
|
||||
real(loadCases(currentLoadCase)%incs ,pReal)))
|
||||
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
|
||||
stepFraction = 0_pInt
|
||||
skipping: if (totalIncsCounter < restartInc) then ! not yet at restart inc?
|
||||
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
|
||||
subIncLooping: do while (stepFraction/subStepFactor**cutBackLevel <1_pInt)
|
||||
time = time + timeinc ! forward time
|
||||
stepFraction = stepFraction + 1_pInt
|
||||
remainingLoadCaseTime = time0 - time + loadCases(currentLoadCase)%time + timeInc
|
||||
! loop over sub step
|
||||
subStepLooping: do while (stepFraction < subStepFactor**cutBackLevel)
|
||||
remainingLoadCaseTime = loadCases(currentLoadCase)%time+time0 - time
|
||||
time = time + timeinc ! forward target time
|
||||
stepFraction = stepFraction + 1_pInt ! count step
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! report begin of new increment
|
||||
! report begin of new step
|
||||
write(6,'(/,a)') ' ###########################################################################'
|
||||
write(6,'(1x,a,es12.5'//&
|
||||
',a,'//IO_intOut(inc)//',a,'//IO_intOut(loadCases(currentLoadCase)%incs)//&
|
||||
',a,'//IO_intOut(stepFraction)//',a,'//IO_intOut(subStepFactor**cutBackLevel)//&
|
||||
',a,'//IO_intOut(inc) //',a,'//IO_intOut(loadCases(currentLoadCase)%incs)//&
|
||||
',a,'//IO_intOut(stepFraction) //',a,'//IO_intOut(subStepFactor**cutBackLevel)//&
|
||||
',a,'//IO_intOut(currentLoadCase)//',a,'//IO_intOut(size(loadCases))//')') &
|
||||
'Time', time, &
|
||||
's: Increment ', inc, '/', loadCases(currentLoadCase)%incs,&
|
||||
'-', stepFraction, '/', subStepFactor**cutBackLevel,&
|
||||
' of load case ', currentLoadCase,'/',size(loadCases)
|
||||
write(incInfo,&
|
||||
'(a,'//IO_intOut(totalIncsCounter)//&
|
||||
',a,'//IO_intOut(sum(loadCases%incs))//&
|
||||
',a,'//IO_intOut(stepFraction)//&
|
||||
',a,'//IO_intOut(subStepFactor**cutBackLevel)//')') &
|
||||
'Increment ',totalIncsCounter,'/',sum(loadCases%incs),&
|
||||
'-',stepFraction, '/', subStepFactor**cutBackLevel
|
||||
flush(6)
|
||||
write(incInfo,'(a,'//IO_intOut(totalIncsCounter)//',a,'//IO_intOut(sum(loadCases%incs))//&
|
||||
',a,'//IO_intOut(stepFraction)//',a,'//IO_intOut(subStepFactor**cutBackLevel)//')') &
|
||||
'Increment ',totalIncsCounter,'/',sum(loadCases%incs),&
|
||||
'-',stepFraction, '/', subStepFactor**cutBackLevel
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! forward fields
|
||||
|
|
@ -578,7 +548,7 @@ program DAMASK_spectral
|
|||
end select
|
||||
|
||||
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
|
||||
enddo
|
||||
|
||||
|
|
@ -618,65 +588,63 @@ program DAMASK_spectral
|
|||
solres(field) = spectral_damage_solution(timeinc,timeIncOld,remainingLoadCaseTime)
|
||||
|
||||
end select
|
||||
|
||||
if (.not. solres(field)%converged) exit ! no solution found
|
||||
|
||||
enddo
|
||||
stagIter = stagIter + 1_pInt
|
||||
stagIterate = stagIter < stagItMax .and. &
|
||||
all(solres(:)%converged) .and. &
|
||||
.not. all(solres(:)%stagConverged)
|
||||
stagIterate = stagIter < stagItMax &
|
||||
.and. all(solres(:)%converged) &
|
||||
.and. .not. all(solres(:)%stagConverged) ! stationary with respect to staggered iteration
|
||||
enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! check solution
|
||||
cutBack = .False.
|
||||
if(solres(1)%termIll .or. .not. all(solres(:)%converged .and. solres(:)%stagConverged)) then ! no solution found
|
||||
if (cutBackLevel < maxCutBack) then ! do cut back
|
||||
write(6,'(/,a)') ' cut back detected'
|
||||
cutBack = .True.
|
||||
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
|
||||
! check solution for either advance or retry
|
||||
|
||||
if ( (continueCalculation .or. all(solres(:)%converged .and. solres(:)%stagConverged)) & ! don't care or did converge
|
||||
.and. .not. solres(1)%termIll) then ! and acceptable solution found
|
||||
timeIncOld = timeinc
|
||||
cutBack = .false.
|
||||
guess = .true. ! start guessing after first converged (sub)inc
|
||||
endif
|
||||
if (.not. cutBack) then
|
||||
if (worldrank == 0) then
|
||||
write(statUnit,*) totalIncsCounter, time, cutBackLevel, &
|
||||
solres%converged, solres%iterationsNeeded ! write statistics about accepted solution
|
||||
solres%converged, solres%iterationsNeeded
|
||||
flush(statUnit)
|
||||
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
|
||||
enddo subIncLooping
|
||||
|
||||
enddo subStepLooping
|
||||
|
||||
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
|
||||
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') &
|
||||
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & ! report converged inc
|
||||
' increment ', totalIncsCounter, ' converged'
|
||||
else
|
||||
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & ! report non-converged inc
|
||||
' increment ', totalIncsCounter, ' NOT converged'
|
||||
notConvergedCounter = notConvergedCounter + 1_pInt
|
||||
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & ! report non-converged inc
|
||||
' increment ', totalIncsCounter, ' NOT converged'
|
||||
endif; flush(6)
|
||||
|
||||
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) then ! at output frequency
|
||||
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 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
|
||||
outputIndex=int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, &
|
||||
min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
|
||||
|
|
@ -688,93 +656,29 @@ program DAMASK_spectral
|
|||
enddo
|
||||
fileOffset = fileOffset + sum(outputSize) ! forward to current file position
|
||||
endif
|
||||
if( loadCases(currentLoadCase)%restartFrequency > 0_pInt .and. & ! at frequency of writing restart information set restart parameter for FEsolving
|
||||
mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! first call to CPFEM_general will write?
|
||||
restartWrite = .true.
|
||||
lastRestartWritten = inc
|
||||
if ( loadCases(currentLoadCase)%restartFrequency > 0_pInt & ! writing of restart info requested ...
|
||||
.and. mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! ... and at frequency of writing restart information
|
||||
restartWrite = .true. ! set restart parameter for FEsolving
|
||||
lastRestartWritten = inc ! QUESTION: first call to CPFEM_general will write?
|
||||
endif
|
||||
else forwarding
|
||||
time = time + timeinc
|
||||
guess = .true.
|
||||
endif forwarding
|
||||
|
||||
yieldCheck: if(yieldStop) then ! check if it yields or satisfies the certain stop condition
|
||||
yieldStressOld = yieldStressNew
|
||||
plasticStrainOld = plasticStrainNew
|
||||
eqStressOld = eqStressNew
|
||||
eqTotalStrainOld = eqTotalStrainNew
|
||||
eqPlasticStrainOld = eqPlasticStrainNew
|
||||
plasticWorkOld = plasticWorkNew
|
||||
|
||||
call utilities_calcPlasticity(yieldStressNew, plasticStrainNew, eqStressNew, eqTotalStrainNew, &
|
||||
eqPlasticStrainNew, plasticWorkNew, loadCases(currentLoadCase)%rotation)
|
||||
|
||||
if (worldrank == 0) then ! output the stress-strain curve to file if yield stop criterion is used
|
||||
if ((currentLoadCase == 1_pInt) .and. (inc == 1_pInt)) then
|
||||
open(newunit=stressstrainUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
|
||||
'.stressstrain',form='FORMATTED',status='REPLACE')
|
||||
write(stressstrainUnit,*) 0.0_pReal, 0.0_pReal
|
||||
write(stressstrainUnit,*) eqTotalStrainNew, eqStressNew
|
||||
close(stressstrainUnit)
|
||||
else
|
||||
open(newunit=stressstrainUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
|
||||
'.stressstrain',form='FORMATTED', position='APPEND', status='OLD')
|
||||
write(stressstrainUnit,*) eqTotalStrainNew, eqStressNew
|
||||
close(stressstrainUnit)
|
||||
endif
|
||||
endif
|
||||
|
||||
if(stopFlag == 'totalStrain') then
|
||||
if(eqTotalStrainNew > yieldStopValue) then
|
||||
yieldStress = yieldStressOld * (eqTotalStrainNew - yieldStopValue)/(eqTotalStrainNew - eqTotalStrainOld) & ! linear interpolation of stress values
|
||||
+ yieldStressNew * (yieldStopValue - eqTotalStrainOld)/(eqTotalStrainNew - eqTotalStrainOld)
|
||||
plasticStrainRate = (plasticStrainNew - plasticStrainOld)/(time - time0) ! calculate plastic strain rate
|
||||
yieldStopSatisfied = .True.
|
||||
endif
|
||||
elseif(stopFlag == 'plasticStrain') then
|
||||
if(eqPlasticStrainNew > yieldStopValue) then
|
||||
yieldStress = yieldStressOld * (eqPlasticStrainNew - yieldStopValue)/(eqPlasticStrainNew - eqPlasticStrainOld) &
|
||||
+ yieldStressNew * (yieldStopValue - eqPlasticStrainOld)/(eqPlasticStrainNew - eqPlasticStrainOld)
|
||||
plasticStrainRate = (plasticStrainNew - plasticStrainOld)/(time - time0)
|
||||
yieldStopSatisfied = .True.
|
||||
endif
|
||||
elseif(stopFlag == 'plasticWork') then
|
||||
if(plasticWorkNew > yieldStopValue) then
|
||||
yieldStress = yieldStressOld * (plasticWorkNew - yieldStopValue)/(plasticWorkNew - plasticWorkOld) &
|
||||
+ yieldStressNew * (yieldStopValue - plasticWorkOld)/(plasticWorkNew - plasticWorkOld)
|
||||
plasticStrainRate = (plasticStrainNew - plasticStrainOld)/(time - time0)
|
||||
yieldStopSatisfied = .True.
|
||||
endif
|
||||
endif
|
||||
endif yieldCheck
|
||||
|
||||
if (yieldStopSatisfied) then ! when yield, write the yield stress and strain rate to file and quit the job
|
||||
if (worldrank == 0) then
|
||||
open(newunit=yieldResUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
|
||||
'.yield',form='FORMATTED',status='REPLACE')
|
||||
do i = 1_pInt,3_pInt
|
||||
write(yieldResUnit,*) (yieldStress(i,j), j=1,3)
|
||||
enddo
|
||||
do i = 1_pInt,3_pInt
|
||||
write(yieldResUnit,*) (plasticStrainRate(i,j), j=1,3)
|
||||
enddo
|
||||
close(yieldResUnit)
|
||||
call quit(0_pInt)
|
||||
endif
|
||||
endif
|
||||
endif skipping
|
||||
|
||||
enddo incLooping
|
||||
|
||||
enddo loadCaseLooping
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! report summary of whole calculation
|
||||
write(6,'(/,a)') ' ###########################################################################'
|
||||
write(6,'(1x,i6.6,a,i6.6,a,f5.1,a)') convergedCounter, ' out of ', &
|
||||
notConvergedCounter + convergedCounter, ' (', &
|
||||
real(convergedCounter, pReal)/&
|
||||
real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, &
|
||||
' %) increments converged!'
|
||||
write(6,'(1x,'//IO_intOut(convergedCounter)//',a,'//IO_intOut(notConvergedCounter + convergedCounter)//',a,f5.1,a)') &
|
||||
convergedCounter, ' out of ', &
|
||||
notConvergedCounter + convergedCounter, ' (', &
|
||||
real(convergedCounter, pReal)/&
|
||||
real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, &
|
||||
' %) increments converged!'
|
||||
flush(6)
|
||||
call MPI_file_close(resUnit,ierr)
|
||||
close(statUnit)
|
||||
|
||||
|
|
@ -831,8 +735,6 @@ subroutine quit(stop_id)
|
|||
call PETScFinalize(ierr)
|
||||
if (ierr /= 0) write(6,'(a)') ' Error in PETScFinalize'
|
||||
#ifdef _OPENMP
|
||||
! If openMP is enabled, MPI is initialized before and independently of PETSc. Hence, also
|
||||
! take care of the finalization
|
||||
call MPI_finalize(error)
|
||||
if (error /= 0) write(6,'(a)') ' Error in MPI_finalize'
|
||||
#endif
|
||||
|
|
|
|||
|
|
@ -1268,11 +1268,11 @@ integer(pInt) function IO_countNumericalDataLines(fileUnit)
|
|||
line = IO_read(fileUnit)
|
||||
chunkPos = IO_stringPos(line)
|
||||
tmp = IO_lc(IO_stringValue(line,chunkPos,1_pInt))
|
||||
if (verify(trim(tmp) ,"0123456789")/=0) then ! found keyword
|
||||
if (verify(trim(tmp),'0123456789') == 0) then ! numerical values
|
||||
IO_countNumericalDataLines = IO_countNumericalDataLines + 1_pInt
|
||||
else
|
||||
line = IO_read(fileUnit, .true.) ! reset IO_read
|
||||
exit
|
||||
else
|
||||
IO_countNumericalDataLines = IO_countNumericalDataLines + 1_pInt
|
||||
endif
|
||||
enddo
|
||||
backspace(fileUnit)
|
||||
|
|
|
|||
|
|
@ -55,14 +55,14 @@ module crystallite
|
|||
crystallite_Li0, & !< intermediate velocitiy grad at start of FE inc
|
||||
crystallite_partionedLi0,& !< intermediate velocity grad at start of homog inc
|
||||
crystallite_Fe, & !< current "elastic" def grad (end of converged time step)
|
||||
crystallite_P, & !< 1st Piola-Kirchhoff stress per grain
|
||||
crystallite_subF !< def grad to be reached at end of crystallite inc
|
||||
crystallite_P !< 1st Piola-Kirchhoff stress per grain
|
||||
real(pReal), dimension(:,:,:,:,:), allocatable, private :: &
|
||||
crystallite_subFe0,& !< "elastic" def grad at start of crystallite inc
|
||||
crystallite_invFp, & !< inverse of current plastic def grad (end of converged time step)
|
||||
crystallite_subFp0,& !< plastic def grad at start of crystallite inc
|
||||
crystallite_invFi, & !< inverse of current intermediate def grad (end of converged time step)
|
||||
crystallite_subFi0,& !< intermediate def grad at start of crystallite inc
|
||||
crystallite_subF, & !< def grad to be reached at end of crystallite inc
|
||||
crystallite_subF0, & !< def grad at start of crystallite inc
|
||||
crystallite_subLp0,& !< plastic velocity grad at start of crystallite inc
|
||||
crystallite_subLi0,& !< intermediate velocity grad at start of crystallite inc
|
||||
|
|
@ -193,7 +193,7 @@ subroutine crystallite_init
|
|||
c, & !< counter in integration point component loop
|
||||
i, & !< counter in integration point loop
|
||||
e, & !< counter in element loop
|
||||
o, & !< counter in output loop
|
||||
o = 0_pInt, & !< counter in output loop
|
||||
r, & !< counter in crystallite loop
|
||||
cMax, & !< maximum number of integration point components
|
||||
iMax, & !< maximum number of integration points
|
||||
|
|
@ -1239,14 +1239,16 @@ subroutine crystallite_integrateStateRK4()
|
|||
use numerics, only: &
|
||||
numerics_integrationMode
|
||||
use debug, only: &
|
||||
#ifdef DEBUG
|
||||
debug_e, &
|
||||
debug_i, &
|
||||
debug_g, &
|
||||
#endif
|
||||
debug_level, &
|
||||
debug_crystallite, &
|
||||
debug_levelBasic, &
|
||||
debug_levelExtensive, &
|
||||
debug_levelSelective, &
|
||||
debug_e, &
|
||||
debug_i, &
|
||||
debug_g, &
|
||||
debug_StateLoopDistribution
|
||||
use FEsolving, only: &
|
||||
FEsolving_execElem, &
|
||||
|
|
@ -1533,14 +1535,16 @@ subroutine crystallite_integrateStateRKCK45()
|
|||
use, intrinsic :: &
|
||||
IEEE_arithmetic
|
||||
use debug, only: &
|
||||
#ifdef DEBUG
|
||||
debug_e, &
|
||||
debug_i, &
|
||||
debug_g, &
|
||||
#endif
|
||||
debug_level, &
|
||||
debug_crystallite, &
|
||||
debug_levelBasic, &
|
||||
debug_levelExtensive, &
|
||||
debug_levelSelective, &
|
||||
debug_e, &
|
||||
debug_i, &
|
||||
debug_g, &
|
||||
debug_StateLoopDistribution
|
||||
use numerics, only: &
|
||||
rTol_crystalliteState, &
|
||||
|
|
@ -2036,14 +2040,16 @@ subroutine crystallite_integrateStateAdaptiveEuler()
|
|||
use, intrinsic :: &
|
||||
IEEE_arithmetic
|
||||
use debug, only: &
|
||||
#ifdef DEBUG
|
||||
debug_e, &
|
||||
debug_i, &
|
||||
debug_g, &
|
||||
#endif
|
||||
debug_level, &
|
||||
debug_crystallite, &
|
||||
debug_levelBasic, &
|
||||
debug_levelExtensive, &
|
||||
debug_levelSelective, &
|
||||
debug_e, &
|
||||
debug_i, &
|
||||
debug_g, &
|
||||
debug_StateLoopDistribution
|
||||
use numerics, only: &
|
||||
rTol_crystalliteState, &
|
||||
|
|
@ -2396,14 +2402,16 @@ subroutine crystallite_integrateStateEuler()
|
|||
use, intrinsic :: &
|
||||
IEEE_arithmetic
|
||||
use debug, only: &
|
||||
#ifdef DEBUG
|
||||
debug_e, &
|
||||
debug_i, &
|
||||
debug_g, &
|
||||
#endif
|
||||
debug_level, &
|
||||
debug_crystallite, &
|
||||
debug_levelBasic, &
|
||||
debug_levelExtensive, &
|
||||
debug_levelSelective, &
|
||||
debug_e, &
|
||||
debug_i, &
|
||||
debug_g, &
|
||||
debug_StateLoopDistribution
|
||||
use numerics, only: &
|
||||
numerics_integrationMode, &
|
||||
|
|
@ -2619,9 +2627,11 @@ subroutine crystallite_integrateStateFPI()
|
|||
use, intrinsic :: &
|
||||
IEEE_arithmetic
|
||||
use debug, only: &
|
||||
#ifdef DEBUG
|
||||
debug_e, &
|
||||
debug_i, &
|
||||
debug_g, &
|
||||
#endif
|
||||
debug_level,&
|
||||
debug_crystallite, &
|
||||
debug_levelBasic, &
|
||||
|
|
@ -3068,14 +3078,16 @@ logical function crystallite_stateJump(ipc,ip,el)
|
|||
IEEE_arithmetic
|
||||
use prec, only: &
|
||||
dNeq0
|
||||
#ifdef DEBUG
|
||||
use debug, only: &
|
||||
debug_e, &
|
||||
debug_i, &
|
||||
debug_g, &
|
||||
debug_level, &
|
||||
debug_crystallite, &
|
||||
debug_levelExtensive, &
|
||||
debug_levelSelective, &
|
||||
debug_e, &
|
||||
debug_i, &
|
||||
debug_g
|
||||
debug_levelSelective
|
||||
#endif
|
||||
use material, only: &
|
||||
plasticState, &
|
||||
sourceState, &
|
||||
|
|
@ -3205,9 +3217,11 @@ logical function crystallite_integrateStress(&
|
|||
debug_levelBasic, &
|
||||
debug_levelExtensive, &
|
||||
debug_levelSelective, &
|
||||
#ifdef DEBUG
|
||||
debug_e, &
|
||||
debug_i, &
|
||||
debug_g, &
|
||||
#endif
|
||||
debug_cumLpCalls, &
|
||||
debug_cumLpTicks, &
|
||||
debug_StressLoopLpDistribution, &
|
||||
|
|
@ -3233,7 +3247,9 @@ logical function crystallite_integrateStress(&
|
|||
math_Plain33to9, &
|
||||
math_Plain9to33, &
|
||||
math_Plain99to3333
|
||||
#ifdef DEBUG
|
||||
use mesh, only: mesh_element
|
||||
#endif
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in):: el, & ! element index
|
||||
|
|
@ -3297,8 +3313,8 @@ logical function crystallite_integrateStress(&
|
|||
p, &
|
||||
jacoCounterLp, &
|
||||
jacoCounterLi ! counters to check for Jacobian update
|
||||
integer(pLongInt) tick, &
|
||||
tock, &
|
||||
integer(pLongInt) :: tick = 0_pLongInt, &
|
||||
tock = 0_pLongInt, &
|
||||
tickrate, &
|
||||
maxticks
|
||||
|
||||
|
|
|
|||
|
|
@ -16,7 +16,7 @@ module homogenization
|
|||
! General variables for the homogenization at a material point
|
||||
implicit none
|
||||
private
|
||||
real(pReal), dimension(:,:,:,:), allocatable, public :: &
|
||||
real(pReal), dimension(:,:,:,:), allocatable, public :: &
|
||||
materialpoint_F0, & !< def grad of IP at start of FE increment
|
||||
materialpoint_F, & !< def grad of IP to be reached at end of FE increment
|
||||
materialpoint_P !< first P--K stress of IP
|
||||
|
|
@ -128,7 +128,7 @@ subroutine homogenization_init
|
|||
integer(pInt), dimension(:) , pointer :: thisNoutput
|
||||
character(len=64), dimension(:,:), pointer :: thisOutput
|
||||
character(len=32) :: outputName !< name of output, intermediate fix until HDF5 output is ready
|
||||
logical :: knownHomogenization, knownThermal, knownDamage, knownVacancyflux, knownPorosity, knownHydrogenflux
|
||||
logical :: valid
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -199,7 +199,7 @@ subroutine homogenization_init
|
|||
do p = 1,material_Nhomogenization
|
||||
if (any(material_homog == p)) then
|
||||
i = homogenization_typeInstance(p) ! which instance of this homogenization type
|
||||
knownHomogenization = .true. ! assume valid
|
||||
valid = .true. ! assume valid
|
||||
select case(homogenization_type(p)) ! split per homogenization type
|
||||
case (HOMOGENIZATION_NONE_ID)
|
||||
outputName = HOMOGENIZATION_NONE_label
|
||||
|
|
@ -217,10 +217,10 @@ subroutine homogenization_init
|
|||
thisOutput => homogenization_RGC_output
|
||||
thisSize => homogenization_RGC_sizePostResult
|
||||
case default
|
||||
knownHomogenization = .false.
|
||||
valid = .false.
|
||||
end select
|
||||
write(FILEUNIT,'(/,a,/)') '['//trim(homogenization_name(p))//']'
|
||||
if (knownHomogenization) then
|
||||
if (valid) then
|
||||
write(FILEUNIT,'(a)') '(type)'//char(9)//trim(outputName)
|
||||
write(FILEUNIT,'(a,i4)') '(ngrains)'//char(9),homogenization_Ngrains(p)
|
||||
if (homogenization_type(p) /= HOMOGENIZATION_NONE_ID) then
|
||||
|
|
@ -230,7 +230,7 @@ subroutine homogenization_init
|
|||
endif
|
||||
endif
|
||||
i = thermal_typeInstance(p) ! which instance of this thermal type
|
||||
knownThermal = .true. ! assume valid
|
||||
valid = .true. ! assume valid
|
||||
select case(thermal_type(p)) ! split per thermal type
|
||||
case (THERMAL_isothermal_ID)
|
||||
outputName = THERMAL_isothermal_label
|
||||
|
|
@ -248,9 +248,9 @@ subroutine homogenization_init
|
|||
thisOutput => thermal_conduction_output
|
||||
thisSize => thermal_conduction_sizePostResult
|
||||
case default
|
||||
knownThermal = .false.
|
||||
valid = .false.
|
||||
end select
|
||||
if (knownThermal) then
|
||||
if (valid) then
|
||||
write(FILEUNIT,'(a)') '(thermal)'//char(9)//trim(outputName)
|
||||
if (thermal_type(p) /= THERMAL_isothermal_ID) then
|
||||
do e = 1,thisNoutput(i)
|
||||
|
|
@ -259,7 +259,7 @@ subroutine homogenization_init
|
|||
endif
|
||||
endif
|
||||
i = damage_typeInstance(p) ! which instance of this damage type
|
||||
knownDamage = .true. ! assume valid
|
||||
valid = .true. ! assume valid
|
||||
select case(damage_type(p)) ! split per damage type
|
||||
case (DAMAGE_none_ID)
|
||||
outputName = DAMAGE_none_label
|
||||
|
|
@ -277,9 +277,9 @@ subroutine homogenization_init
|
|||
thisOutput => damage_nonlocal_output
|
||||
thisSize => damage_nonlocal_sizePostResult
|
||||
case default
|
||||
knownDamage = .false.
|
||||
valid = .false.
|
||||
end select
|
||||
if (knownDamage) then
|
||||
if (valid) then
|
||||
write(FILEUNIT,'(a)') '(damage)'//char(9)//trim(outputName)
|
||||
if (damage_type(p) /= DAMAGE_none_ID) then
|
||||
do e = 1,thisNoutput(i)
|
||||
|
|
@ -288,7 +288,7 @@ subroutine homogenization_init
|
|||
endif
|
||||
endif
|
||||
i = vacancyflux_typeInstance(p) ! which instance of this vacancy flux type
|
||||
knownVacancyflux = .true. ! assume valid
|
||||
valid = .true. ! assume valid
|
||||
select case(vacancyflux_type(p)) ! split per vacancy flux type
|
||||
case (VACANCYFLUX_isoconc_ID)
|
||||
outputName = VACANCYFLUX_isoconc_label
|
||||
|
|
@ -306,9 +306,9 @@ subroutine homogenization_init
|
|||
thisOutput => vacancyflux_cahnhilliard_output
|
||||
thisSize => vacancyflux_cahnhilliard_sizePostResult
|
||||
case default
|
||||
knownVacancyflux = .false.
|
||||
valid = .false.
|
||||
end select
|
||||
if (knownVacancyflux) then
|
||||
if (valid) then
|
||||
write(FILEUNIT,'(a)') '(vacancyflux)'//char(9)//trim(outputName)
|
||||
if (vacancyflux_type(p) /= VACANCYFLUX_isoconc_ID) then
|
||||
do e = 1,thisNoutput(i)
|
||||
|
|
@ -317,7 +317,7 @@ subroutine homogenization_init
|
|||
endif
|
||||
endif
|
||||
i = porosity_typeInstance(p) ! which instance of this porosity type
|
||||
knownPorosity = .true. ! assume valid
|
||||
valid = .true. ! assume valid
|
||||
select case(porosity_type(p)) ! split per porosity type
|
||||
case (POROSITY_none_ID)
|
||||
outputName = POROSITY_none_label
|
||||
|
|
@ -330,9 +330,9 @@ subroutine homogenization_init
|
|||
thisOutput => porosity_phasefield_output
|
||||
thisSize => porosity_phasefield_sizePostResult
|
||||
case default
|
||||
knownPorosity = .false.
|
||||
valid = .false.
|
||||
end select
|
||||
if (knownPorosity) then
|
||||
if (valid) then
|
||||
write(FILEUNIT,'(a)') '(porosity)'//char(9)//trim(outputName)
|
||||
if (porosity_type(p) /= POROSITY_none_ID) then
|
||||
do e = 1,thisNoutput(i)
|
||||
|
|
@ -341,7 +341,7 @@ subroutine homogenization_init
|
|||
endif
|
||||
endif
|
||||
i = hydrogenflux_typeInstance(p) ! which instance of this hydrogen flux type
|
||||
knownHydrogenflux = .true. ! assume valid
|
||||
valid = .true. ! assume valid
|
||||
select case(hydrogenflux_type(p)) ! split per hydrogen flux type
|
||||
case (HYDROGENFLUX_isoconc_ID)
|
||||
outputName = HYDROGENFLUX_isoconc_label
|
||||
|
|
@ -354,9 +354,9 @@ subroutine homogenization_init
|
|||
thisOutput => hydrogenflux_cahnhilliard_output
|
||||
thisSize => hydrogenflux_cahnhilliard_sizePostResult
|
||||
case default
|
||||
knownHydrogenflux = .false.
|
||||
valid = .false.
|
||||
end select
|
||||
if (knownHydrogenflux) then
|
||||
if (valid) then
|
||||
write(FILEUNIT,'(a)') '(hydrogenflux)'//char(9)//trim(outputName)
|
||||
if (hydrogenflux_type(p) /= HYDROGENFLUX_isoconc_ID) then
|
||||
do e = 1,thisNoutput(i)
|
||||
|
|
|
|||
|
|
@ -120,9 +120,9 @@ module numerics
|
|||
petsc_options = ''
|
||||
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
|
||||
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
|
||||
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
|
||||
update_gamma = .false. !< update gamma operator with current stiffness, Default .false.: use initial stiffness
|
||||
#endif
|
||||
|
|
@ -424,9 +424,9 @@ subroutine numerics_init
|
|||
case ('err_stress_tolabs')
|
||||
err_stress_tolabs = IO_floatValue(line,chunkPos,2_pInt)
|
||||
case ('continuecalculation')
|
||||
continueCalculation = IO_intValue(line,chunkPos,2_pInt)
|
||||
continueCalculation = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
|
||||
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')
|
||||
fftw_timelimit = IO_floatValue(line,chunkPos,2_pInt)
|
||||
case ('fftw_plan_mode')
|
||||
|
|
@ -436,7 +436,7 @@ subroutine numerics_init
|
|||
case ('divergence_correction')
|
||||
divergence_correction = IO_intValue(line,chunkPos,2_pInt)
|
||||
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')
|
||||
petsc_options = trim(line(chunkPos(4):))
|
||||
case ('spectralsolver','myspectralsolver')
|
||||
|
|
@ -599,7 +599,7 @@ subroutine numerics_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! spectral parameters
|
||||
#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,i8)') ' divergence_correction: ',divergence_correction
|
||||
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_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_hydrogenflux_tolrel')
|
||||
#ifdef Spectral
|
||||
if (continueCalculation /= 0_pInt .and. &
|
||||
continueCalculation /= 1_pInt) call IO_error(301_pInt,ext_msg='continueCalculation')
|
||||
if (divergence_correction < 0_pInt .or. &
|
||||
divergence_correction > 2_pInt) call IO_error(301_pInt,ext_msg='divergence_correction')
|
||||
if (update_gamma .and. &
|
||||
|
|
@ -713,7 +711,7 @@ subroutine numerics_init
|
|||
if (polarAlpha <= 0.0_pReal .or. &
|
||||
polarAlpha > 2.0_pReal) call IO_error(301_pInt,ext_msg='polarAlpha')
|
||||
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
|
||||
|
||||
end subroutine numerics_init
|
||||
|
|
|
|||
|
|
@ -43,17 +43,20 @@ module spectral_mech_AL
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! stress, stiffness and compliance average etc.
|
||||
real(pReal), private, dimension(3,3) :: &
|
||||
F_aimDot, & !< assumed rate of average deformation gradient
|
||||
F_aimDot = 0.0_pReal, & !< assumed rate of average deformation gradient
|
||||
F_aim = math_I3, & !< current prescribed deformation gradient
|
||||
F_aim_lastInc = math_I3, & !< previous average deformation gradient
|
||||
F_av = 0.0_pReal, & !< average incompatible def grad field
|
||||
P_av = 0.0_pReal, & !< average 1st Piola--Kirchhoff stress
|
||||
P_avLastEval = 0.0_pReal !< average 1st Piola--Kirchhoff stress last call of CPFEM_general
|
||||
character(len=1024), private :: incInfo !< time and increment information
|
||||
|
||||
character(len=1024), private :: incInfo !< time and increment information
|
||||
|
||||
real(pReal), private, dimension(3,3,3,3) :: &
|
||||
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
||||
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
||||
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
|
||||
C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness
|
||||
S = 0.0_pReal, & !< current compliance (filled up with zeros)
|
||||
C_scale = 0.0_pReal, &
|
||||
S_scale = 0.0_pReal
|
||||
|
|
@ -62,7 +65,7 @@ module spectral_mech_AL
|
|||
err_BC, & !< deviation from stress BC
|
||||
err_curl, & !< RMS of curl of F
|
||||
err_div !< RMS of div of P
|
||||
logical, private :: ForwardData
|
||||
|
||||
integer(pInt), private :: &
|
||||
totalIter = 0_pInt !< total iteration in current increment
|
||||
|
||||
|
|
@ -80,7 +83,7 @@ module spectral_mech_AL
|
|||
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
|
||||
!> @todo use sourced allocation, e.g. allocate(Fdot,source = F_lastInc)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine AL_init
|
||||
|
|
@ -102,12 +105,15 @@ subroutine AL_init
|
|||
use numerics, only: &
|
||||
worldrank, &
|
||||
worldsize
|
||||
use homogenization, only: &
|
||||
materialpoint_F0
|
||||
use DAMASK_interface, only: &
|
||||
getSolverJobName
|
||||
use spectral_utilities, only: &
|
||||
Utilities_constitutiveResponse, &
|
||||
Utilities_updateGamma, &
|
||||
Utilities_updateIPcoords
|
||||
Utilities_updateIPcoords, &
|
||||
wgt
|
||||
use mesh, only: &
|
||||
grid, &
|
||||
grid3
|
||||
|
|
@ -120,7 +126,11 @@ subroutine AL_init
|
|||
temp33_Real = 0.0_pReal
|
||||
|
||||
PetscErrorCode :: ierr
|
||||
PetscScalar, pointer, dimension(:,:,:,:) :: xx_psc, F, F_lambda
|
||||
PetscScalar, pointer, dimension(:,:,:,:) :: &
|
||||
FandF_lambda, & ! overall pointer to solution data
|
||||
F, & ! specific (sub)pointer
|
||||
F_lambda ! specific (sub)pointer
|
||||
|
||||
integer(pInt), dimension(:), allocatable :: localK
|
||||
integer(pInt) :: proc
|
||||
character(len=1024) :: rankStr
|
||||
|
|
@ -160,51 +170,43 @@ subroutine AL_init
|
|||
DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point
|
||||
grid(1),grid(2),grid(3), & ! global grid
|
||||
1 , 1, worldsize, &
|
||||
18, 0, & ! #dof (F tensor), ghost boundary width (domain overlap)
|
||||
18, 0, & ! #dof (F tensor), ghost boundary width (domain overlap)
|
||||
grid(1),grid(2),localK, & ! local grid
|
||||
da,ierr) ! handle, error
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
|
||||
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr)
|
||||
call DMDASNESSetFunctionLocal(da,INSERT_VALUES,AL_formResidual,PETSC_NULL_OBJECT,ierr)
|
||||
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) ! connect snes to da
|
||||
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
|
||||
call DMDASNESSetFunctionLocal(da,INSERT_VALUES,AL_formResidual,PETSC_NULL_OBJECT,ierr) ! residual vector of same shape as solution vector
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetConvergenceTest(snes,AL_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetConvergenceTest(snes,AL_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr)
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr)
|
||||
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! init fields
|
||||
call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! places pointer xx_psc on PETSc data
|
||||
F => xx_psc(0:8,:,:,:)
|
||||
F_lambda => xx_psc(9:17,:,:,:)
|
||||
call DMDAVecGetArrayF90(da,solution_vec,FandF_lambda,ierr); CHKERRQ(ierr) ! places pointer on PETSc data
|
||||
F => FandF_lambda( 0: 8,:,:,:)
|
||||
F_lambda => FandF_lambda( 9:17,:,:,:)
|
||||
|
||||
restart: if (restartInc > 1_pInt) then
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0) then
|
||||
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
|
||||
'reading values of increment ', restartInc - 1_pInt, ' from file'
|
||||
flush(6)
|
||||
'reading values of increment ', restartInc-1_pInt, ' from file'
|
||||
flush(6)
|
||||
endif
|
||||
write(rankStr,'(a1,i0)')'_',worldrank
|
||||
call IO_read_realFile(777,'F'//trim(rankStr),trim(getSolverJobName()),size(F))
|
||||
read (777,rec=1) F
|
||||
close (777)
|
||||
read (777,rec=1) F; close (777)
|
||||
call IO_read_realFile(777,'F_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lastInc))
|
||||
read (777,rec=1) F_lastInc
|
||||
close (777)
|
||||
read (777,rec=1) F_lastInc; close (777)
|
||||
call IO_read_realFile(777,'F_lambda'//trim(rankStr),trim(getSolverJobName()),size(F_lambda))
|
||||
read (777,rec=1) F_lambda
|
||||
close (777)
|
||||
call IO_read_realFile(777,'F_lambda_lastInc'//trim(rankStr),&
|
||||
trim(getSolverJobName()),size(F_lambda_lastInc))
|
||||
read (777,rec=1) F_lambda_lastInc
|
||||
close (777)
|
||||
call IO_read_realFile(777,'F_aim', trim(getSolverJobName()),size(F_aim))
|
||||
read (777,rec=1) F_aim
|
||||
close (777)
|
||||
call IO_read_realFile(777,'F_aim_lastInc', trim(getSolverJobName()),size(F_aim_lastInc))
|
||||
read (777,rec=1) F_aim_lastInc
|
||||
close (777)
|
||||
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(f_aimDot))
|
||||
read (777,rec=1) f_aimDot
|
||||
close (777)
|
||||
read (777,rec=1) F_lambda; close (777)
|
||||
call IO_read_realFile(777,'F_lambda_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lambda_lastInc))
|
||||
read (777,rec=1) F_lambda_lastInc; close (777)
|
||||
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(F_aimDot))
|
||||
read (777,rec=1) F_aimDot; close (777)
|
||||
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
|
||||
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
|
||||
elseif (restartInc == 1_pInt) then restart
|
||||
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
||||
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
||||
|
|
@ -212,30 +214,30 @@ subroutine AL_init
|
|||
F_lambda_lastInc = F_lastInc
|
||||
endif restart
|
||||
|
||||
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
|
||||
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
|
||||
call Utilities_constitutiveResponse(F_lastInc, reshape(F,shape(F_lastInc)), &
|
||||
0.0_pReal,P,C_volAvg,C_minMaxAvg,temp33_Real,.false.,math_I3)
|
||||
call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
|
||||
reshape(F,shape(F_lastInc)), & ! target F
|
||||
0.0_pReal, & ! time increment
|
||||
math_I3) ! no rotation of boundary condition
|
||||
nullify(F)
|
||||
nullify(F_lambda)
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! write data back to PETSc
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_lambda,ierr); CHKERRQ(ierr) ! write data back to PETSc
|
||||
|
||||
restartRead: if (restartInc > 1_pInt) then
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
|
||||
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)
|
||||
call IO_read_realFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg))
|
||||
read (777,rec=1) C_volAvg
|
||||
close (777)
|
||||
read (777,rec=1) C_volAvg; close (777)
|
||||
call IO_read_realFile(777,'C_volAvgLastInc',trim(getSolverJobName()),size(C_volAvgLastInc))
|
||||
read (777,rec=1) C_volAvgLastInc
|
||||
close (777)
|
||||
read (777,rec=1) C_volAvgLastInc; close (777)
|
||||
call IO_read_realFile(777,'C_ref',trim(getSolverJobName()),size(C_minMaxAvg))
|
||||
read (777,rec=1) C_minMaxAvg
|
||||
close (777)
|
||||
read (777,rec=1) C_minMaxAvg; close (777)
|
||||
endif restartRead
|
||||
|
||||
call Utilities_updateGamma(C_minMaxAvg,.True.)
|
||||
call Utilities_updateGamma(C_minMaxAvg,.true.)
|
||||
C_scale = C_minMaxAvg
|
||||
S_scale = math_invSym3333(C_minMaxAvg)
|
||||
|
||||
|
|
@ -245,8 +247,7 @@ end subroutine AL_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief solution for the AL scheme with internal iterations
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
type(tSolutionState) function &
|
||||
AL_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC)
|
||||
type(tSolutionState) function AL_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC)
|
||||
use IO, only: &
|
||||
IO_error
|
||||
use numerics, only: &
|
||||
|
|
@ -265,13 +266,13 @@ type(tSolutionState) function &
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! 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) :: &
|
||||
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
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -304,18 +305,17 @@ type(tSolutionState) function &
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! solve BVP
|
||||
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
|
||||
CHKERRQ(ierr)
|
||||
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr); CHKERRQ(ierr)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! check convergence
|
||||
call SNESGetConvergedReason(snes,reason,ierr)
|
||||
CHKERRQ(ierr)
|
||||
call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
|
||||
|
||||
AL_solution%converged = reason > 0
|
||||
AL_solution%iterationsNeeded = totalIter
|
||||
AL_solution%termIll = terminallyIll
|
||||
terminallyIll = .false.
|
||||
if (reason == -4) call IO_error(893_pInt)
|
||||
if (reason < 1) AL_solution%converged = .false.
|
||||
AL_solution%iterationsNeeded = totalIter
|
||||
if (reason == -4) call IO_error(893_pInt) ! MPI error
|
||||
|
||||
end function AL_solution
|
||||
|
||||
|
|
@ -330,8 +330,8 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
polarAlpha, &
|
||||
polarBeta
|
||||
use mesh, only: &
|
||||
grid3, &
|
||||
grid
|
||||
grid, &
|
||||
grid3
|
||||
use IO, only: &
|
||||
IO_intOut
|
||||
use math, only: &
|
||||
|
|
@ -340,6 +340,10 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
math_mul3333xx33, &
|
||||
math_invSym3333, &
|
||||
math_mul33x33
|
||||
use debug, only: &
|
||||
debug_level, &
|
||||
debug_spectral, &
|
||||
debug_spectralRotation
|
||||
use spectral_utilities, only: &
|
||||
wgt, &
|
||||
tensorField_real, &
|
||||
|
|
@ -349,27 +353,17 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
Utilities_constitutiveResponse, &
|
||||
Utilities_divergenceRMS, &
|
||||
Utilities_curlRMS
|
||||
use debug, only: &
|
||||
debug_level, &
|
||||
debug_spectral, &
|
||||
debug_spectralRotation
|
||||
use homogenization, only: &
|
||||
materialpoint_dPdF
|
||||
use FEsolving, only: &
|
||||
terminallyIll
|
||||
|
||||
implicit none
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! strange syntax in the next line because otherwise macros expand beyond 132 character limit
|
||||
DMDALocalInfo, dimension(&
|
||||
DMDA_LOCAL_INFO_SIZE) :: &
|
||||
in
|
||||
PetscScalar, target, dimension(3,3,2, &
|
||||
XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: &
|
||||
x_scal
|
||||
PetscScalar, target, dimension(3,3,2, &
|
||||
X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: &
|
||||
f_scal
|
||||
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in
|
||||
PetscScalar, &
|
||||
target, dimension(3,3,2, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: x_scal !< what is this?
|
||||
PetscScalar, &
|
||||
target, dimension(3,3,2, X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: f_scal !< what is this?
|
||||
PetscScalar, pointer, dimension(:,:,:,:,:) :: &
|
||||
F, &
|
||||
F_lambda, &
|
||||
|
|
@ -387,33 +381,33 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
SNESGetNumberFunctionEvals, &
|
||||
SNESGetIterationNumber
|
||||
|
||||
F => x_scal(1:3,1:3,1,&
|
||||
XG_RANGE,YG_RANGE,ZG_RANGE)
|
||||
F_lambda => x_scal(1:3,1:3,2,&
|
||||
XG_RANGE,YG_RANGE,ZG_RANGE)
|
||||
residual_F => f_scal(1:3,1:3,1,&
|
||||
X_RANGE,Y_RANGE,Z_RANGE)
|
||||
F => x_scal(1:3,1:3,1,&
|
||||
XG_RANGE,YG_RANGE,ZG_RANGE)
|
||||
F_lambda => x_scal(1:3,1:3,2,&
|
||||
XG_RANGE,YG_RANGE,ZG_RANGE)
|
||||
residual_F => f_scal(1:3,1:3,1,&
|
||||
X_RANGE, Y_RANGE, Z_RANGE)
|
||||
residual_F_lambda => f_scal(1:3,1:3,2,&
|
||||
X_RANGE,Y_RANGE,Z_RANGE)
|
||||
|
||||
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
||||
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
||||
X_RANGE, Y_RANGE, Z_RANGE)
|
||||
|
||||
F_av = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt
|
||||
call MPI_Allreduce(MPI_IN_PLACE,F_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
|
||||
if(nfuncs== 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
|
||||
newIteration: if(totalIter <= PETScIter) then
|
||||
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
||||
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
||||
|
||||
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! report begin of new iteration
|
||||
! begin of new iteration
|
||||
newIteration: if (totalIter <= PETScIter) then
|
||||
totalIter = totalIter + 1_pInt
|
||||
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
|
||||
' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
||||
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') &
|
||||
trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab) =', &
|
||||
math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim =', &
|
||||
math_transpose33(F_aim)
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim (lab) =', math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim =', math_transpose33(F_aim)
|
||||
flush(6)
|
||||
endif newIteration
|
||||
|
||||
|
|
@ -425,7 +419,6 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
polarBeta*math_mul3333xx33(C_scale,F(1:3,1:3,i,j,k) - math_I3) -&
|
||||
polarAlpha*math_mul33x33(F(1:3,1:3,i,j,k), &
|
||||
math_mul3333xx33(C_scale,F_lambda(1:3,1:3,i,j,k) - math_I3))
|
||||
|
||||
enddo; enddo; enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -435,24 +428,23 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
call utilities_FFTtensorBackward()
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! constructing residual
|
||||
residual_F_lambda = polarBeta*F - tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3)
|
||||
! constructing F_lambda residual
|
||||
residual_F_lambda = polarBeta*F - tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) !< eq (16) in doi: 10.1016/j.ijplas.2014.02.006
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! evaluate constitutive response
|
||||
P_avLastEval = P_av
|
||||
call Utilities_constitutiveResponse(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)
|
||||
ForwardData = .False.
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate divergence
|
||||
tensorField_real = 0.0_pReal
|
||||
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residual_F
|
||||
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residual_F !< stress field in disguise
|
||||
call utilities_FFTtensorForward()
|
||||
err_div = Utilities_divergenceRMS()
|
||||
call utilities_FFTtensorBackward()
|
||||
err_div = Utilities_divergenceRMS() !< root mean squared error in divergence of stress
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! constructing residual
|
||||
|
|
@ -463,7 +455,7 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
residual_F(1:3,1:3,i,j,k) - &
|
||||
math_mul33x33(F(1:3,1:3,i,j,k), &
|
||||
math_mul3333xx33(C_scale,F_lambda(1:3,1:3,i,j,k) - math_I3))) &
|
||||
+ residual_F_lambda(1:3,1:3,i,j,k)
|
||||
+ residual_F_lambda(1:3,1:3,i,j,k) !< eq (16) in doi: 10.1016/j.ijplas.2014.02.006
|
||||
enddo; enddo; enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -472,8 +464,11 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = F
|
||||
call utilities_FFTtensorForward()
|
||||
err_curl = Utilities_curlRMS()
|
||||
call utilities_FFTtensorBackward()
|
||||
|
||||
|
||||
nullify(F)
|
||||
nullify(F_lambda)
|
||||
nullify(residual_F)
|
||||
nullify(residual_F_lambda)
|
||||
end subroutine AL_formResidual
|
||||
|
||||
|
||||
|
|
@ -488,8 +483,8 @@ subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr
|
|||
err_div_tolAbs, &
|
||||
err_curl_tolRel, &
|
||||
err_curl_tolAbs, &
|
||||
err_stress_tolAbs, &
|
||||
err_stress_tolRel
|
||||
err_stress_tolRel, &
|
||||
err_stress_tolAbs
|
||||
use math, only: &
|
||||
math_mul3333xx33
|
||||
use FEsolving, only: &
|
||||
|
|
@ -508,24 +503,24 @@ subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr
|
|||
real(pReal) :: &
|
||||
curlTol, &
|
||||
divTol, &
|
||||
BC_tol
|
||||
BCTol
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! stress BC handling
|
||||
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc
|
||||
err_BC = maxval(abs((-mask_stress+1.0_pReal)*math_mul3333xx33(C_scale,F_aim-F_av) + &
|
||||
mask_stress *(P_av - params%stress_BC))) ! mask = 0.0 for no bc
|
||||
err_BC = maxval(abs((1.0_pReal-mask_stress) * math_mul3333xx33(C_scale,F_aim-F_av) + &
|
||||
mask_stress * (P_av-params%stress_BC))) ! mask = 0.0 for no bc
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! error calculation
|
||||
curlTol = max(maxval(abs(F_aim-math_I3))*err_curl_tolRel,err_curl_tolAbs)
|
||||
divTol = max(maxval(abs(P_av)) *err_div_tolRel,err_div_tolAbs)
|
||||
BC_tol = max(maxval(abs(P_av)) *err_stress_tolrel,err_stress_tolabs)
|
||||
curlTol = max(maxval(abs(F_aim-math_I3))*err_curl_tolRel ,err_curl_tolAbs)
|
||||
divTol = max(maxval(abs(P_av)) *err_div_tolRel ,err_div_tolAbs)
|
||||
BCTol = max(maxval(abs(P_av)) *err_stress_tolRel,err_stress_tolAbs)
|
||||
|
||||
converged: if ((totalIter >= itmin .and. &
|
||||
all([ err_div/divTol, &
|
||||
all([ err_div /divTol, &
|
||||
err_curl/curlTol, &
|
||||
err_BC/BC_tol ] < 1.0_pReal)) &
|
||||
err_BC /BCTol ] < 1.0_pReal)) &
|
||||
.or. terminallyIll) then
|
||||
reason = 1
|
||||
elseif (totalIter >= itmax) then converged
|
||||
|
|
@ -537,12 +532,12 @@ subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! report
|
||||
write(6,'(1/,a)') ' ... reporting .............................................................'
|
||||
write(6,'(/,a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', &
|
||||
err_curl/curlTol,' (',err_curl,' -, tol =',curlTol,')'
|
||||
write(6,' (a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
||||
err_div/divTol, ' (',err_div, ' / m, tol =',divTol,')'
|
||||
write(6,' (a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', &
|
||||
err_BC/BC_tol, ' (',err_BC, ' Pa, tol =',BC_tol,')'
|
||||
write(6,'(/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
||||
err_div/divTol, ' (',err_div, ' / m, tol = ',divTol,')'
|
||||
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', &
|
||||
err_curl/curlTol,' (',err_curl,' -, tol = ',curlTol,')'
|
||||
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', &
|
||||
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
|
||||
write(6,'(/,a)') ' ==========================================================================='
|
||||
flush(6)
|
||||
|
||||
|
|
@ -550,130 +545,142 @@ end subroutine AL_converged
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief forwarding routine
|
||||
!> @details find new boundary conditions and best F estimate for end of current timestep
|
||||
!> possibly writing restart information, triggering of state increment in DAMASK, and updating of IPcoordinates
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine AL_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
|
||||
use math, only: &
|
||||
math_mul33x33, &
|
||||
math_mul3333xx33, &
|
||||
math_transpose33, &
|
||||
math_rotate_backward33
|
||||
use numerics, only: &
|
||||
worldrank
|
||||
use mesh, only: &
|
||||
grid3, &
|
||||
grid
|
||||
use spectral_utilities, only: &
|
||||
Utilities_calculateRate, &
|
||||
Utilities_forwardField, &
|
||||
Utilities_updateIPcoords, &
|
||||
tBoundaryCondition, &
|
||||
cutBack
|
||||
use IO, only: &
|
||||
IO_write_JobRealFile
|
||||
use FEsolving, only: &
|
||||
restartWrite
|
||||
use math, only: &
|
||||
math_mul33x33, &
|
||||
math_mul3333xx33, &
|
||||
math_transpose33, &
|
||||
math_rotate_backward33
|
||||
use numerics, only: &
|
||||
worldrank
|
||||
use homogenization, only: &
|
||||
materialpoint_F0
|
||||
use mesh, only: &
|
||||
grid, &
|
||||
grid3
|
||||
use CPFEM2, only: &
|
||||
CPFEM_age
|
||||
use spectral_utilities, only: &
|
||||
Utilities_calculateRate, &
|
||||
Utilities_forwardField, &
|
||||
Utilities_updateIPcoords, &
|
||||
tBoundaryCondition, &
|
||||
cutBack
|
||||
use IO, only: &
|
||||
IO_write_JobRealFile
|
||||
use FEsolving, only: &
|
||||
restartWrite
|
||||
|
||||
implicit none
|
||||
real(pReal), intent(in) :: &
|
||||
timeinc_old, &
|
||||
timeinc, &
|
||||
loadCaseTime !< remaining time of current load case
|
||||
type(tBoundaryCondition), intent(in) :: &
|
||||
stress_BC, &
|
||||
deformation_BC
|
||||
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
||||
logical, intent(in) :: &
|
||||
guess
|
||||
PetscErrorCode :: ierr
|
||||
PetscScalar, dimension(:,:,:,:), pointer :: xx_psc, F, F_lambda
|
||||
integer(pInt) :: i, j, k
|
||||
real(pReal), dimension(3,3) :: F_lambda33
|
||||
character(len=1024) :: rankStr
|
||||
implicit none
|
||||
logical, intent(in) :: &
|
||||
guess
|
||||
real(pReal), intent(in) :: &
|
||||
timeinc_old, &
|
||||
timeinc, &
|
||||
loadCaseTime !< remaining time of current load case
|
||||
type(tBoundaryCondition), intent(in) :: &
|
||||
stress_BC, &
|
||||
deformation_BC
|
||||
real(pReal), dimension(3,3), intent(in) ::&
|
||||
rotation_BC
|
||||
PetscErrorCode :: ierr
|
||||
PetscScalar, dimension(:,:,:,:), pointer :: FandF_lambda, F, F_lambda
|
||||
integer(pInt) :: i, j, k
|
||||
real(pReal), dimension(3,3) :: F_lambda33
|
||||
character(len=32) :: rankStr
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! update coordinates and rate and forward last inc
|
||||
call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr)
|
||||
F => xx_psc(0:8,:,:,:)
|
||||
F_lambda => xx_psc(9:17,:,:,:)
|
||||
if (restartWrite) then
|
||||
write(6,'(/,a)') ' writing converged results for restart'
|
||||
flush(6)
|
||||
write(rankStr,'(a1,i0)')'_',worldrank
|
||||
call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file
|
||||
write (777,rec=1) F
|
||||
close (777)
|
||||
call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file
|
||||
write (777,rec=1) F_lastInc
|
||||
close (777)
|
||||
call IO_write_jobRealFile(777,'F_lambda'//trim(rankStr),size(F_lambda)) ! writing deformation gradient field to file
|
||||
write (777,rec=1) F_lambda
|
||||
close (777)
|
||||
call IO_write_jobRealFile(777,'F_lambda_lastInc'//trim(rankStr),size(F_lambda_lastInc)) ! writing F_lastInc field to file
|
||||
write (777,rec=1) F_lambda_lastInc
|
||||
close (777)
|
||||
if (worldrank == 0_pInt) then
|
||||
call IO_write_jobRealFile(777,'F_aim',size(F_aim))
|
||||
write (777,rec=1) F_aim
|
||||
close(777)
|
||||
call IO_write_jobRealFile(777,'F_aim_lastInc',size(F_aim_lastInc))
|
||||
write (777,rec=1) F_aim_lastInc
|
||||
close(777)
|
||||
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 DMDAVecGetArrayF90(da,solution_vec,FandF_lambda,ierr); CHKERRQ(ierr)
|
||||
F => FandF_lambda( 0: 8,:,:,:)
|
||||
F_lambda => FandF_lambda( 9:17,:,:,:)
|
||||
|
||||
call utilities_updateIPcoords(F)
|
||||
if (cutBack) then
|
||||
C_volAvg = C_volAvgLastInc ! QUESTION: where is this required?
|
||||
C_minMaxAvg = C_minMaxAvgLastInc ! QUESTION: where is this required?
|
||||
else
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! restart information for spectral solver
|
||||
if (restartWrite) then ! QUESTION: where is this logical properly set?
|
||||
write(6,'(/,a)') ' writing converged results for restart'
|
||||
flush(6)
|
||||
|
||||
if (cutBack) then
|
||||
F_aim = F_aim_lastInc
|
||||
F_lambda = reshape(F_lambda_lastInc,[9,grid(1),grid(2),grid3])
|
||||
F = reshape(F_lastInc, [9,grid(1),grid(2),grid3])
|
||||
C_volAvg = C_volAvgLastInc
|
||||
else
|
||||
ForwardData = .True.
|
||||
C_volAvgLastInc = C_volAvg
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate rate for aim
|
||||
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)
|
||||
elseif(deformation_BC%myType=='fdot') then ! f_aimDot is prescribed
|
||||
f_aimDot = deformation_BC%maskFloat * deformation_BC%values
|
||||
elseif(deformation_BC%myType=='f') then ! aim at end of load case is prescribed
|
||||
f_aimDot = deformation_BC%maskFloat * (deformation_BC%values -F_aim)/loadCaseTime
|
||||
endif
|
||||
if (guess) f_aimDot = f_aimDot + stress_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old
|
||||
F_aim_lastInc = F_aim
|
||||
if (worldrank == 0_pInt) then
|
||||
call IO_write_jobRealFile(777,'C_volAvg',size(C_volAvg))
|
||||
write (777,rec=1) C_volAvg; close(777)
|
||||
call IO_write_jobRealFile(777,'C_volAvgLastInc',size(C_volAvgLastInc))
|
||||
write (777,rec=1) C_volAvgLastInc; close(777)
|
||||
! call IO_write_jobRealFile(777,'C_minMaxAvg',size(C_volAvg))
|
||||
! write (777,rec=1) C_minMaxAvg; close(777)
|
||||
! call IO_write_jobRealFile(777,'C_minMaxAvgLastInc',size(C_volAvgLastInc))
|
||||
! write (777,rec=1) C_minMaxAvgLastInc; close(777)
|
||||
call IO_write_jobRealFile(777,'F_aimDot',size(F_aimDot))
|
||||
write (777,rec=1) F_aimDot; close(777)
|
||||
endif
|
||||
|
||||
write(rankStr,'(a1,i0)')'_',worldrank
|
||||
call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file
|
||||
write (777,rec=1) F; close (777)
|
||||
call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file
|
||||
write (777,rec=1) F_lastInc; close (777)
|
||||
call IO_write_jobRealFile(777,'F_lambda'//trim(rankStr),size(F_lambda)) ! writing deformation gradient field to file
|
||||
write (777,rec=1) F_lambda; close (777)
|
||||
call IO_write_jobRealFile(777,'F_lambda_lastInc'//trim(rankStr),size(F_lambda_lastInc)) ! writing F_lastInc field to file
|
||||
write (777,rec=1) F_lambda_lastInc; close (777)
|
||||
endif
|
||||
|
||||
call CPFEM_age() ! age state and kinematics
|
||||
call utilities_updateIPcoords(F)
|
||||
|
||||
C_volAvgLastInc = C_volAvg
|
||||
C_minMaxAvgLastInc = C_minMaxAvg
|
||||
|
||||
if (guess) then ! QUESTION: better with a = L ? x:y
|
||||
F_aimDot = stress_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old ! initialize with correction based on last inc
|
||||
else
|
||||
F_aimDot = 0.0_pReal
|
||||
endif
|
||||
F_aim_lastInc = F_aim
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate rate for aim
|
||||
if (deformation_BC%myType=='l') then ! calculate F_aimDot from given L and current F
|
||||
F_aimDot = &
|
||||
F_aimDot + deformation_BC%maskFloat * math_mul33x33(deformation_BC%values, F_aim_lastInc)
|
||||
elseif(deformation_BC%myType=='fdot') then ! F_aimDot is prescribed
|
||||
F_aimDot = &
|
||||
F_aimDot + deformation_BC%maskFloat * deformation_BC%values
|
||||
elseif (deformation_BC%myType=='f') then ! aim at end of load case is prescribed
|
||||
F_aimDot = &
|
||||
F_aimDot + deformation_BC%maskFloat * (deformation_BC%values - F_aim_lastInc)/loadCaseTime
|
||||
endif
|
||||
|
||||
|
||||
Fdot = Utilities_calculateRate(guess, &
|
||||
F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]),timeinc_old, &
|
||||
math_rotate_backward33(F_aimDot,rotation_BC))
|
||||
F_lambdaDot = Utilities_calculateRate(guess, &
|
||||
F_lambda_lastInc,reshape(F_lambda,[3,3,grid(1),grid(2),grid3]), timeinc_old, &
|
||||
math_rotate_backward33(F_aimDot,rotation_BC))
|
||||
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3]) ! winding F forward
|
||||
F_lambda_lastInc = reshape(F_lambda, [3,3,grid(1),grid(2),grid3]) ! winding F_lambda forward
|
||||
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! update coordinates and rate and forward last inc
|
||||
call utilities_updateIPcoords(F)
|
||||
Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
|
||||
timeinc_old,guess,F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]))
|
||||
F_lambdaDot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
|
||||
timeinc_old,guess,F_lambda_lastInc,reshape(F_lambda,[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])
|
||||
endif
|
||||
! update average and local deformation gradients
|
||||
F_aim = F_aim_lastInc + F_aimDot * timeinc
|
||||
|
||||
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])
|
||||
F_lambda = reshape(Utilities_forwardField(timeinc,F_lambda_lastInc,F_lambdadot), &
|
||||
[9,grid(1),grid(2),grid3]) ! does not have any average value as boundary condition
|
||||
if (.not. guess) then ! large strain forwarding
|
||||
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
|
||||
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average
|
||||
math_rotate_backward33(F_aim,rotation_BC)),&
|
||||
[9,grid(1),grid(2),grid3])
|
||||
if (guess) then
|
||||
F_lambda = reshape(Utilities_forwardField(timeinc,F_lambda_lastInc,F_lambdadot), &
|
||||
[9,grid(1),grid(2),grid3]) ! does not have any average value as boundary condition
|
||||
else
|
||||
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
|
||||
F_lambda33 = reshape(F_lambda(1:9,i,j,k),[3,3])
|
||||
F_lambda33 = math_mul3333xx33(S_scale,math_mul33x33(F_lambda33, &
|
||||
math_mul3333xx33(C_scale,&
|
||||
|
|
@ -681,9 +688,12 @@ subroutine AL_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stre
|
|||
F_lambda33) -math_I3))*0.5_pReal)&
|
||||
+ math_I3
|
||||
F_lambda(1:9,i,j,k) = reshape(F_lambda33,[9])
|
||||
enddo; enddo; enddo
|
||||
endif
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr)
|
||||
enddo; enddo; enddo
|
||||
endif
|
||||
|
||||
nullify(F)
|
||||
nullify(F_lambda)
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_lambda,ierr); CHKERRQ(ierr)
|
||||
|
||||
end subroutine AL_forward
|
||||
|
||||
|
|
|
|||
|
|
@ -38,21 +38,27 @@ module spectral_mech_basic
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! stress, stiffness and compliance average etc.
|
||||
real(pReal), private, dimension(3,3) :: &
|
||||
F_aim = math_I3, &
|
||||
F_aim_lastIter = math_I3, &
|
||||
F_aim_lastInc = math_I3, &
|
||||
P_av = 0.0_pReal, &
|
||||
F_aimDot=0.0_pReal
|
||||
character(len=1024), private :: incInfo
|
||||
F_aimDot = 0.0_pReal, & !< assumed rate of average deformation gradient
|
||||
F_aim = math_I3, & !< current prescribed deformation gradient
|
||||
F_aim_lastInc = math_I3, & !< previous average deformation gradient
|
||||
P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress
|
||||
|
||||
character(len=1024), private :: incInfo !< time and increment information
|
||||
|
||||
real(pReal), private, dimension(3,3,3,3) :: &
|
||||
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
||||
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
||||
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
|
||||
S = 0.0_pReal !< current compliance (filled up with zeros)
|
||||
real(pReal), private :: err_stress, err_div
|
||||
logical, private :: ForwardData
|
||||
C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness
|
||||
S = 0.0_pReal !< current compliance (filled up with zeros)
|
||||
|
||||
real(pReal), private :: &
|
||||
err_BC, & !< deviation from stress BC
|
||||
err_div !< RMS of div of P
|
||||
|
||||
integer(pInt), private :: &
|
||||
totalIter = 0_pInt !< total iteration in current increment
|
||||
|
||||
real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
|
||||
|
||||
public :: &
|
||||
|
|
@ -69,7 +75,7 @@ module spectral_mech_basic
|
|||
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
|
||||
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||
|
|
@ -90,6 +96,8 @@ subroutine basicPETSc_init
|
|||
use numerics, only: &
|
||||
worldrank, &
|
||||
worldsize
|
||||
use homogenization, only: &
|
||||
materialpoint_F0
|
||||
use DAMASK_interface, only: &
|
||||
getSolverJobName
|
||||
use spectral_utilities, only: &
|
||||
|
|
@ -132,8 +140,8 @@ subroutine basicPETSc_init
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! allocate global fields
|
||||
allocate (F_lastInc (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
|
||||
allocate (Fdot (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
|
||||
allocate (F_lastInc (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
|
||||
allocate (Fdot (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! initialize solver specific parts of PETSc
|
||||
|
|
@ -152,11 +160,10 @@ subroutine basicPETSc_init
|
|||
grid(1),grid(2),localK, & ! local grid
|
||||
da,ierr) ! handle, error
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
|
||||
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) ! connect snes to da
|
||||
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
|
||||
call DMDASNESSetFunctionLocal(da,INSERT_VALUES,BasicPETSC_formResidual,PETSC_NULL_OBJECT,ierr) ! residual vector of same shape as solution vector
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) ! connect snes to da
|
||||
call SNESSetConvergenceTest(snes,BasicPETSC_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
|
||||
|
|
@ -166,62 +173,55 @@ subroutine basicPETSc_init
|
|||
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! get the data out of PETSc to work with
|
||||
|
||||
restart: if (restartInc > 1_pInt) then
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0) &
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0) then
|
||||
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
|
||||
'reading values of increment ', restartInc - 1_pInt, ' from file'
|
||||
flush(6)
|
||||
'reading values of increment ', restartInc-1_pInt, ' from file'
|
||||
flush(6)
|
||||
endif
|
||||
write(rankStr,'(a1,i0)')'_',worldrank
|
||||
call IO_read_realFile(777,'F'//trim(rankStr),trim(getSolverJobName()),size(F))
|
||||
read (777,rec=1) F
|
||||
close (777)
|
||||
read (777,rec=1) F; close (777)
|
||||
call IO_read_realFile(777,'F_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lastInc))
|
||||
read (777,rec=1) F_lastInc
|
||||
close (777)
|
||||
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(f_aimDot))
|
||||
read (777,rec=1) f_aimDot
|
||||
close (777)
|
||||
read (777,rec=1) F_lastInc; close (777)
|
||||
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(F_aimDot))
|
||||
read (777,rec=1) F_aimDot; close (777)
|
||||
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
|
||||
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
|
||||
elseif (restartInc == 1_pInt) then restart
|
||||
elseif (restartInc == 1_pInt) then restart
|
||||
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
||||
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
||||
endif restart
|
||||
|
||||
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
|
||||
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
|
||||
call Utilities_constitutiveResponse(F_lastInc, reshape(F,shape(F_lastInc)), &
|
||||
0.0_pReal, &
|
||||
P, &
|
||||
C_volAvg,C_minMaxAvg, & ! global average of stiffness and (min+max)/2
|
||||
temp33_Real, &
|
||||
.false., &
|
||||
math_I3)
|
||||
call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
|
||||
reshape(F,shape(F_lastInc)), & ! target F
|
||||
0.0_pReal, & ! time increment
|
||||
math_I3) ! no rotation of boundary condition
|
||||
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) &
|
||||
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)
|
||||
call IO_read_realFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg))
|
||||
read (777,rec=1) C_volAvg
|
||||
close (777)
|
||||
read (777,rec=1) C_volAvg; close (777)
|
||||
call IO_read_realFile(777,'C_volAvgLastInc',trim(getSolverJobName()),size(C_volAvgLastInc))
|
||||
read (777,rec=1) C_volAvgLastInc
|
||||
close (777)
|
||||
read (777,rec=1) C_volAvgLastInc; close (777)
|
||||
call IO_read_realFile(777,'C_ref',trim(getSolverJobName()),size(C_minMaxAvg))
|
||||
read (777,rec=1) C_minMaxAvg
|
||||
close (777)
|
||||
read (777,rec=1) C_minMaxAvg; close (777)
|
||||
endif restartRead
|
||||
|
||||
call Utilities_updateGamma(C_minmaxAvg,.True.)
|
||||
|
||||
call Utilities_updateGamma(C_minMaxAvg,.true.)
|
||||
|
||||
end subroutine basicPETSc_init
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief solution for the Basic PETSC scheme with internal iterations
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
type(tSolutionState) function &
|
||||
basicPETSc_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC)
|
||||
type(tSolutionState) function basicPETSc_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC)
|
||||
use IO, only: &
|
||||
IO_error
|
||||
use numerics, only: &
|
||||
|
|
@ -238,13 +238,13 @@ type(tSolutionState) function &
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! 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) :: &
|
||||
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
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -261,7 +261,7 @@ type(tSolutionState) function &
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! update stiffness (and gamma operator)
|
||||
S = Utilities_maskedCompliance(rotation_BC,stress_BC%maskLogical,C_volAvg)
|
||||
if (update_gamma) call Utilities_updateGamma(C_minmaxAvg,restartWrite)
|
||||
if (update_gamma) call Utilities_updateGamma(C_minMaxAvg,restartWrite)
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -274,19 +274,17 @@ type(tSolutionState) function &
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! solve BVP
|
||||
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
|
||||
CHKERRQ(ierr)
|
||||
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr); CHKERRQ(ierr)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! check convergence
|
||||
call SNESGetConvergedReason(snes,reason,ierr)
|
||||
CHKERRQ(ierr)
|
||||
call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
|
||||
|
||||
BasicPETSc_solution%converged = reason > 0
|
||||
basicPETSC_solution%iterationsNeeded = totalIter
|
||||
basicPETSc_solution%termIll = terminallyIll
|
||||
terminallyIll = .false.
|
||||
BasicPETSc_solution%converged =.true.
|
||||
if (reason == -4) call IO_error(893_pInt)
|
||||
if (reason < 1) basicPETSC_solution%converged = .false.
|
||||
basicPETSC_solution%iterationsNeeded = totalIter
|
||||
if (reason == -4) call IO_error(893_pInt) ! MPI error
|
||||
|
||||
end function BasicPETSc_solution
|
||||
|
||||
|
|
@ -322,19 +320,18 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
terminallyIll
|
||||
|
||||
implicit none
|
||||
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: &
|
||||
in
|
||||
PetscScalar, dimension(3,3, &
|
||||
XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: &
|
||||
x_scal
|
||||
PetscScalar, dimension(3,3, &
|
||||
X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: &
|
||||
f_scal
|
||||
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in
|
||||
PetscScalar, &
|
||||
dimension(3,3, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: x_scal !< what is this?
|
||||
PetscScalar, &
|
||||
dimension(3,3, X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: f_scal !< what is this?
|
||||
PetscInt :: &
|
||||
PETScIter, &
|
||||
nfuncs
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode :: ierr
|
||||
real(pReal), dimension(3,3) :: &
|
||||
deltaF_aim
|
||||
|
||||
external :: &
|
||||
SNESGetNumberFunctionEvals, &
|
||||
|
|
@ -343,46 +340,45 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
||||
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
||||
|
||||
if(nfuncs== 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
|
||||
newIteration: if(totalIter <= PETScIter) then
|
||||
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! report begin of new iteration
|
||||
! begin of new iteration
|
||||
newIteration: if (totalIter <= PETScIter) then
|
||||
totalIter = totalIter + 1_pInt
|
||||
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
|
||||
' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
||||
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') &
|
||||
trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab) =', &
|
||||
math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim =', &
|
||||
math_transpose33(F_aim)
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim (lab) =', math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim =', math_transpose33(F_aim)
|
||||
flush(6)
|
||||
endif newIteration
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! evaluate constitutive response
|
||||
call Utilities_constitutiveResponse(F_lastInc,x_scal,params%timeinc, &
|
||||
f_scal,C_volAvg,C_minmaxAvg,P_av,ForwardData,params%rotation_BC)
|
||||
call Utilities_constitutiveResponse(f_scal,P_av,C_volAvg,C_minMaxAvg, &
|
||||
x_scal,params%timeinc, params%rotation_BC)
|
||||
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
|
||||
ForwardData = .false.
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! stress BC handling
|
||||
F_aim_lastIter = F_aim
|
||||
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc
|
||||
err_stress = maxval(abs(mask_stress * (P_av - params%stress_BC))) ! mask = 0.0 for no bc
|
||||
deltaF_aim = math_mul3333xx33(S, P_av - params%stress_BC)
|
||||
F_aim = F_aim - deltaF_aim
|
||||
err_BC = 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
|
||||
tensorField_real = 0.0_pReal
|
||||
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = f_scal
|
||||
call utilities_FFTtensorForward()
|
||||
err_div = Utilities_divergenceRMS()
|
||||
call utilities_fourierGammaConvolution(math_rotate_backward33(F_aim_lastIter-F_aim,params%rotation_BC))
|
||||
call utilities_FFTtensorBackward()
|
||||
call utilities_FFTtensorForward() ! FFT forward of global "tensorField_real"
|
||||
err_div = Utilities_divergenceRMS() ! divRMS of tensorField_fourier
|
||||
call utilities_fourierGammaConvolution(math_rotate_backward33(deltaF_aim,params%rotation_BC)) ! convolution of Gamma and tensorField_fourier, with arg
|
||||
call utilities_FFTtensorBackward() ! FFT backward of global tensorField_fourier
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! 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
|
||||
|
||||
|
|
@ -413,14 +409,14 @@ subroutine BasicPETSc_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,du
|
|||
PetscErrorCode :: ierr
|
||||
real(pReal) :: &
|
||||
divTol, &
|
||||
stressTol
|
||||
BCTol
|
||||
|
||||
divTol = max(maxval(abs(P_av))*err_div_tolRel,err_div_tolAbs)
|
||||
stressTol = max(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs)
|
||||
divTol = max(maxval(abs(P_av))*err_div_tolRel ,err_div_tolAbs)
|
||||
BCTol = max(maxval(abs(P_av))*err_stress_tolRel,err_stress_tolAbs)
|
||||
|
||||
converged: if ((totalIter >= itmin .and. &
|
||||
all([ err_div/divTol, &
|
||||
err_stress/stressTol ] < 1.0_pReal)) &
|
||||
err_BC /BCTol ] < 1.0_pReal)) &
|
||||
.or. terminallyIll) then
|
||||
reason = 1
|
||||
elseif (totalIter >= itmax) then converged
|
||||
|
|
@ -433,9 +429,9 @@ subroutine BasicPETSc_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,du
|
|||
! report
|
||||
write(6,'(1/,a)') ' ... reporting .............................................................'
|
||||
write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
||||
err_div/divTol, ' (',err_div,' / m, tol =',divTol,')'
|
||||
write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
|
||||
err_stress/stressTol, ' (',err_stress, ' Pa, tol =',stressTol,')'
|
||||
err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')'
|
||||
write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
|
||||
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
|
||||
write(6,'(/,a)') ' ==========================================================================='
|
||||
flush(6)
|
||||
|
||||
|
|
@ -443,106 +439,118 @@ end subroutine BasicPETSc_converged
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief forwarding routine
|
||||
!> @details find new boundary conditions and best F estimate for end of current timestep
|
||||
!> possibly writing restart information, triggering of state increment in DAMASK, and updating of IPcoordinates
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
|
||||
use math, only: &
|
||||
math_mul33x33 ,&
|
||||
math_rotate_backward33
|
||||
use numerics, only: &
|
||||
worldrank
|
||||
use mesh, only: &
|
||||
grid, &
|
||||
grid3
|
||||
use spectral_utilities, only: &
|
||||
Utilities_calculateRate, &
|
||||
Utilities_forwardField, &
|
||||
Utilities_updateIPcoords, &
|
||||
tBoundaryCondition, &
|
||||
cutBack
|
||||
use IO, only: &
|
||||
IO_write_JobRealFile
|
||||
use FEsolving, only: &
|
||||
restartWrite
|
||||
use math, only: &
|
||||
math_mul33x33 ,&
|
||||
math_rotate_backward33
|
||||
use numerics, only: &
|
||||
worldrank
|
||||
use homogenization, only: &
|
||||
materialpoint_F0
|
||||
use mesh, only: &
|
||||
grid, &
|
||||
grid3
|
||||
use CPFEM2, only: &
|
||||
CPFEM_age
|
||||
use spectral_utilities, only: &
|
||||
Utilities_calculateRate, &
|
||||
Utilities_forwardField, &
|
||||
Utilities_updateIPcoords, &
|
||||
tBoundaryCondition, &
|
||||
cutBack
|
||||
use IO, only: &
|
||||
IO_write_JobRealFile
|
||||
use FEsolving, only: &
|
||||
restartWrite
|
||||
|
||||
implicit none
|
||||
real(pReal), intent(in) :: &
|
||||
timeinc_old, &
|
||||
timeinc, &
|
||||
loadCaseTime !< remaining time of current load case
|
||||
type(tBoundaryCondition), intent(in) :: &
|
||||
stress_BC, &
|
||||
deformation_BC
|
||||
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
||||
logical, intent(in) :: &
|
||||
guess
|
||||
PetscErrorCode :: ierr
|
||||
PetscScalar, pointer :: F(:,:,:,:)
|
||||
implicit none
|
||||
logical, intent(in) :: &
|
||||
guess
|
||||
real(pReal), intent(in) :: &
|
||||
timeinc_old, &
|
||||
timeinc, &
|
||||
loadCaseTime !< remaining time of current load case
|
||||
type(tBoundaryCondition), intent(in) :: &
|
||||
stress_BC, &
|
||||
deformation_BC
|
||||
real(pReal), dimension(3,3), intent(in) ::&
|
||||
rotation_BC
|
||||
PetscErrorCode :: ierr
|
||||
PetscScalar, dimension(:,:,:,:), pointer :: F
|
||||
|
||||
character(len=1024) :: rankStr
|
||||
character(len=32) :: rankStr
|
||||
|
||||
call DMDAVecGetArrayF90(da,solution_vec,F,ierr)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! restart information for spectral solver
|
||||
if (restartWrite) then
|
||||
write(6,'(/,a)') ' writing converged results for restart'
|
||||
flush(6)
|
||||
write(rankStr,'(a1,i0)')'_',worldrank
|
||||
call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file
|
||||
write (777,rec=1) F
|
||||
close (777)
|
||||
call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file
|
||||
write (777,rec=1) F_lastInc
|
||||
close (777)
|
||||
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 DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
|
||||
|
||||
if (cutBack) then
|
||||
C_volAvg = C_volAvgLastInc ! QUESTION: where is this required?
|
||||
C_minMaxAvg = C_minMaxAvgLastInc ! QUESTION: where is this required?
|
||||
else
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! restart information for spectral solver
|
||||
if (restartWrite) then ! QUESTION: where is this logical properly set?
|
||||
write(6,'(/,a)') ' writing converged results for restart'
|
||||
flush(6)
|
||||
|
||||
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,'F_aimDot',size(F_aimDot))
|
||||
write (777,rec=1) F_aimDot; close(777)
|
||||
endif
|
||||
|
||||
if (cutBack) then
|
||||
F_aim = F_aim_lastInc
|
||||
F = reshape(F_lastInc, [9,grid(1),grid(2),grid3])
|
||||
C_volAvg = C_volAvgLastInc
|
||||
else
|
||||
ForwardData = .True.
|
||||
C_volAvgLastInc = C_volAvg
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate rate for aim
|
||||
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)
|
||||
elseif(deformation_BC%myType=='fdot') then ! f_aimDot is prescribed
|
||||
f_aimDot = deformation_BC%maskFloat * deformation_BC%values
|
||||
elseif(deformation_BC%myType=='f') then ! aim at end of load case is prescribed
|
||||
f_aimDot = deformation_BC%maskFloat * (deformation_BC%values -F_aim)/loadCaseTime
|
||||
endif
|
||||
if (guess) f_aimDot = f_aimDot + stress_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old
|
||||
F_aim_lastInc = F_aim
|
||||
write(rankStr,'(a1,i0)')'_',worldrank
|
||||
call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file
|
||||
write (777,rec=1) F; close (777)
|
||||
call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file
|
||||
write (777,rec=1) F_lastInc; close (777)
|
||||
endif
|
||||
|
||||
call CPFEM_age() ! age state and kinematics
|
||||
call utilities_updateIPcoords(F)
|
||||
|
||||
C_volAvgLastInc = C_volAvg
|
||||
C_minMaxAvgLastInc = C_minMaxAvg
|
||||
|
||||
if (guess) then ! QUESTION: better with a = L ? x:y
|
||||
F_aimDot = stress_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old ! initialize with correction based on last inc
|
||||
else
|
||||
F_aimDot = 0.0_pReal
|
||||
endif ! components of deformation_BC%maskFloat always start out with zero
|
||||
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
|
||||
call utilities_updateIPcoords(F)
|
||||
Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
|
||||
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])
|
||||
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)
|
||||
|
||||
! update average and local deformation gradients
|
||||
F_aim = F_aim_lastInc + F_aimDot * timeinc
|
||||
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average
|
||||
math_rotate_backward33(F_aim,rotation_BC)),[9,grid(1),grid(2),grid3])
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
|
||||
|
||||
end subroutine BasicPETSc_forward
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
|
|||
|
|
@ -43,7 +43,7 @@ module spectral_mech_Polarisation
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! stress, stiffness and compliance average etc.
|
||||
real(pReal), private, dimension(3,3) :: &
|
||||
F_aimDot, & !< assumed rate of average deformation gradient
|
||||
F_aimDot = 0.0_pReal, & !< assumed rate of average deformation gradient
|
||||
F_aim = math_I3, & !< current prescribed deformation gradient
|
||||
F_aim_lastInc = math_I3, & !< previous average deformation gradient
|
||||
F_av = 0.0_pReal, & !< average incompatible def grad field
|
||||
|
|
@ -54,6 +54,7 @@ module spectral_mech_Polarisation
|
|||
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
||||
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
||||
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
|
||||
C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness
|
||||
S = 0.0_pReal, & !< current compliance (filled up with zeros)
|
||||
C_scale = 0.0_pReal, &
|
||||
S_scale = 0.0_pReal
|
||||
|
|
@ -62,7 +63,7 @@ module spectral_mech_Polarisation
|
|||
err_BC, & !< deviation from stress BC
|
||||
err_curl, & !< RMS of curl of F
|
||||
err_div !< RMS of div of P
|
||||
logical, private :: ForwardData
|
||||
|
||||
integer(pInt), private :: &
|
||||
totalIter = 0_pInt !< total iteration in current increment
|
||||
|
||||
|
|
@ -80,7 +81,7 @@ module spectral_mech_Polarisation
|
|||
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
|
||||
!> @todo use sourced allocation, e.g. allocate(Fdot,source = F_lastInc)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine Polarisation_init
|
||||
|
|
@ -102,12 +103,15 @@ subroutine Polarisation_init
|
|||
use numerics, only: &
|
||||
worldrank, &
|
||||
worldsize
|
||||
use homogenization, only: &
|
||||
materialpoint_F0
|
||||
use DAMASK_interface, only: &
|
||||
getSolverJobName
|
||||
use spectral_utilities, only: &
|
||||
Utilities_constitutiveResponse, &
|
||||
Utilities_updateGamma, &
|
||||
Utilities_updateIPcoords
|
||||
Utilities_updateIPcoords, &
|
||||
wgt
|
||||
use mesh, only: &
|
||||
grid, &
|
||||
grid3
|
||||
|
|
@ -120,7 +124,11 @@ subroutine Polarisation_init
|
|||
temp33_Real = 0.0_pReal
|
||||
|
||||
PetscErrorCode :: ierr
|
||||
PetscScalar, pointer, dimension(:,:,:,:) :: xx_psc, F, F_tau
|
||||
PetscScalar, pointer, dimension(:,:,:,:) :: &
|
||||
FandF_tau, & ! overall pointer to solution data
|
||||
F, & ! specific (sub)pointer
|
||||
F_tau ! specific (sub)pointer
|
||||
|
||||
integer(pInt), dimension(:), allocatable :: localK
|
||||
integer(pInt) :: proc
|
||||
character(len=1024) :: rankStr
|
||||
|
|
@ -164,78 +172,69 @@ subroutine Polarisation_init
|
|||
grid(1),grid(2),localK, & ! local grid
|
||||
da,ierr) ! handle, error
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
|
||||
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr)
|
||||
call DMDASNESSetFunctionLocal(da,INSERT_VALUES,Polarisation_formResidual,PETSC_NULL_OBJECT,ierr)
|
||||
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) ! connect snes to da
|
||||
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
|
||||
call DMDASNESSetFunctionLocal(da,INSERT_VALUES,Polarisation_formResidual,PETSC_NULL_OBJECT,ierr) ! residual vector of same shape as solution vector
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetConvergenceTest(snes,Polarisation_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetConvergenceTest(snes,Polarisation_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr)
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr)
|
||||
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! init fields
|
||||
call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! places pointer xx_psc on PETSc data
|
||||
F => xx_psc(0:8,:,:,:)
|
||||
F_tau => xx_psc(9:17,:,:,:)
|
||||
restart: if (restartInc > 1_pInt) then
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0) &
|
||||
call DMDAVecGetArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) ! places pointer on PETSc data
|
||||
F => FandF_tau( 0: 8,:,:,:)
|
||||
F_tau => FandF_tau( 9:17,:,:,:)
|
||||
restart: if (restartInc > 1_pInt) then
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0) then
|
||||
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
|
||||
'reading values of increment ', restartInc - 1_pInt, ' from file'
|
||||
flush(6)
|
||||
flush(6)
|
||||
endif
|
||||
write(rankStr,'(a1,i0)')'_',worldrank
|
||||
call IO_read_realFile(777,'F'//trim(rankStr),trim(getSolverJobName()),size(F))
|
||||
read (777,rec=1) F
|
||||
close (777)
|
||||
read (777,rec=1) F; close (777)
|
||||
call IO_read_realFile(777,'F_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lastInc))
|
||||
read (777,rec=1) F_lastInc
|
||||
close (777)
|
||||
read (777,rec=1) F_lastInc; close (777)
|
||||
call IO_read_realFile(777,'F_tau'//trim(rankStr),trim(getSolverJobName()),size(F_tau))
|
||||
read (777,rec=1) F_tau
|
||||
close (777)
|
||||
call IO_read_realFile(777,'F_tau_lastInc'//trim(rankStr),&
|
||||
trim(getSolverJobName()),size(F_tau_lastInc))
|
||||
read (777,rec=1) F_tau_lastInc
|
||||
close (777)
|
||||
call IO_read_realFile(777,'F_aim', trim(getSolverJobName()),size(F_aim))
|
||||
read (777,rec=1) F_aim
|
||||
close (777)
|
||||
call IO_read_realFile(777,'F_aim_lastInc', trim(getSolverJobName()),size(F_aim_lastInc))
|
||||
read (777,rec=1) F_aim_lastInc
|
||||
close (777)
|
||||
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(f_aimDot))
|
||||
read (777,rec=1) f_aimDot
|
||||
close (777)
|
||||
read (777,rec=1) F_tau; close (777)
|
||||
call IO_read_realFile(777,'F_tau_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_tau_lastInc))
|
||||
read (777,rec=1) F_tau_lastInc; close (777)
|
||||
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(F_aimDot))
|
||||
read (777,rec=1) F_aimDot; close (777)
|
||||
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
|
||||
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
|
||||
elseif (restartInc == 1_pInt) then restart
|
||||
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
||||
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
||||
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
||||
F_tau = 2.0_pReal* F
|
||||
F_tau = 2.0_pReal*F
|
||||
F_tau_lastInc = 2.0_pReal*F_lastInc
|
||||
endif restart
|
||||
|
||||
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
|
||||
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
|
||||
call Utilities_constitutiveResponse(F_lastInc, reshape(F,shape(F_lastInc)), &
|
||||
0.0_pReal,P,C_volAvg,C_minMaxAvg,temp33_Real,.false.,math_I3)
|
||||
call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
|
||||
reshape(F,shape(F_lastInc)), & ! target F
|
||||
0.0_pReal, & ! time increment
|
||||
math_I3) ! no rotation of boundary condition
|
||||
nullify(F)
|
||||
nullify(F_tau)
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! write data back to PETSc
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) ! write data back to PETSc
|
||||
|
||||
restartRead: if (restartInc > 1_pInt) then
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
|
||||
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)
|
||||
call IO_read_realFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg))
|
||||
read (777,rec=1) C_volAvg
|
||||
close (777)
|
||||
read (777,rec=1) C_volAvg; close (777)
|
||||
call IO_read_realFile(777,'C_volAvgLastInc',trim(getSolverJobName()),size(C_volAvgLastInc))
|
||||
read (777,rec=1) C_volAvgLastInc
|
||||
close (777)
|
||||
read (777,rec=1) C_volAvgLastInc; close (777)
|
||||
call IO_read_realFile(777,'C_ref',trim(getSolverJobName()),size(C_minMaxAvg))
|
||||
read (777,rec=1) C_minMaxAvg
|
||||
close (777)
|
||||
read (777,rec=1) C_minMaxAvg; close (777)
|
||||
endif restartRead
|
||||
|
||||
call Utilities_updateGamma(C_minMaxAvg,.True.)
|
||||
call Utilities_updateGamma(C_minMaxAvg,.true.)
|
||||
C_scale = C_minMaxAvg
|
||||
S_scale = math_invSym3333(C_minMaxAvg)
|
||||
|
||||
|
|
@ -245,8 +244,7 @@ end subroutine Polarisation_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief solution for the Polarisation scheme with internal iterations
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
type(tSolutionState) function &
|
||||
Polarisation_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC)
|
||||
type(tSolutionState) function Polarisation_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC)
|
||||
use IO, only: &
|
||||
IO_error
|
||||
use numerics, only: &
|
||||
|
|
@ -265,13 +263,13 @@ type(tSolutionState) function &
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! 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) :: &
|
||||
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
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -304,18 +302,17 @@ type(tSolutionState) function &
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! solve BVP
|
||||
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
|
||||
CHKERRQ(ierr)
|
||||
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr); CHKERRQ(ierr)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! check convergence
|
||||
call SNESGetConvergedReason(snes,reason,ierr)
|
||||
CHKERRQ(ierr)
|
||||
call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
|
||||
|
||||
Polarisation_solution%converged = reason > 0
|
||||
Polarisation_solution%iterationsNeeded = totalIter
|
||||
Polarisation_solution%termIll = terminallyIll
|
||||
terminallyIll = .false.
|
||||
if (reason == -4) call IO_error(893_pInt)
|
||||
if (reason < 1) Polarisation_solution%converged = .false.
|
||||
Polarisation_solution%iterationsNeeded = totalIter
|
||||
if (reason == -4) call IO_error(893_pInt) ! MPI error
|
||||
|
||||
end function Polarisation_solution
|
||||
|
||||
|
|
@ -330,8 +327,8 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
polarAlpha, &
|
||||
polarBeta
|
||||
use mesh, only: &
|
||||
grid3, &
|
||||
grid
|
||||
grid, &
|
||||
grid3
|
||||
use IO, only: &
|
||||
IO_intOut
|
||||
use math, only: &
|
||||
|
|
@ -340,6 +337,10 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
math_mul3333xx33, &
|
||||
math_invSym3333, &
|
||||
math_mul33x33
|
||||
use debug, only: &
|
||||
debug_level, &
|
||||
debug_spectral, &
|
||||
debug_spectralRotation
|
||||
use spectral_utilities, only: &
|
||||
wgt, &
|
||||
tensorField_real, &
|
||||
|
|
@ -349,27 +350,17 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
Utilities_constitutiveResponse, &
|
||||
Utilities_divergenceRMS, &
|
||||
Utilities_curlRMS
|
||||
use debug, only: &
|
||||
debug_level, &
|
||||
debug_spectral, &
|
||||
debug_spectralRotation
|
||||
use homogenization, only: &
|
||||
materialpoint_dPdF
|
||||
use FEsolving, only: &
|
||||
terminallyIll
|
||||
|
||||
implicit none
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! strange syntax in the next line because otherwise macros expand beyond 132 character limit
|
||||
DMDALocalInfo, dimension(&
|
||||
DMDA_LOCAL_INFO_SIZE) :: &
|
||||
in
|
||||
PetscScalar, target, dimension(3,3,2, &
|
||||
XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: &
|
||||
x_scal
|
||||
PetscScalar, target, dimension(3,3,2, &
|
||||
X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: &
|
||||
f_scal
|
||||
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in
|
||||
PetscScalar, &
|
||||
target, dimension(3,3,2, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: x_scal
|
||||
PetscScalar, &
|
||||
target, dimension(3,3,2, X_RANGE, Y_RANGE, Z_RANGE), intent(out) :: f_scal
|
||||
PetscScalar, pointer, dimension(:,:,:,:,:) :: &
|
||||
F, &
|
||||
F_tau, &
|
||||
|
|
@ -387,33 +378,33 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
SNESGetNumberFunctionEvals, &
|
||||
SNESGetIterationNumber
|
||||
|
||||
F => x_scal(1:3,1:3,1,&
|
||||
XG_RANGE,YG_RANGE,ZG_RANGE)
|
||||
F_tau => x_scal(1:3,1:3,2,&
|
||||
XG_RANGE,YG_RANGE,ZG_RANGE)
|
||||
residual_F => f_scal(1:3,1:3,1,&
|
||||
X_RANGE,Y_RANGE,Z_RANGE)
|
||||
residual_F_tau => f_scal(1:3,1:3,2,&
|
||||
X_RANGE,Y_RANGE,Z_RANGE)
|
||||
|
||||
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
||||
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
||||
F => x_scal(1:3,1:3,1,&
|
||||
XG_RANGE,YG_RANGE,ZG_RANGE)
|
||||
F_tau => x_scal(1:3,1:3,2,&
|
||||
XG_RANGE,YG_RANGE,ZG_RANGE)
|
||||
residual_F => f_scal(1:3,1:3,1,&
|
||||
X_RANGE, Y_RANGE, Z_RANGE)
|
||||
residual_F_tau => f_scal(1:3,1:3,2,&
|
||||
X_RANGE, Y_RANGE, Z_RANGE)
|
||||
|
||||
F_av = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt
|
||||
call MPI_Allreduce(MPI_IN_PLACE,F_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
|
||||
if(nfuncs== 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
|
||||
newIteration: if(totalIter <= PETScIter) then
|
||||
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
||||
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
||||
|
||||
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! report begin of new iteration
|
||||
! begin of new iteration
|
||||
newIteration: if (totalIter <= PETScIter) then
|
||||
totalIter = totalIter + 1_pInt
|
||||
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
|
||||
' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
||||
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') &
|
||||
trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab) =', &
|
||||
math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim =', &
|
||||
math_transpose33(F_aim)
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim (lab) =', math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim =', math_transpose33(F_aim)
|
||||
flush(6)
|
||||
endif newIteration
|
||||
|
||||
|
|
@ -440,18 +431,16 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! evaluate constitutive response
|
||||
P_avLastEval = P_av
|
||||
call Utilities_constitutiveResponse(F_lastInc,F - residual_F_tau/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_tau/polarBeta,params%timeinc,params%rotation_BC)
|
||||
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
|
||||
ForwardData = .False.
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate divergence
|
||||
tensorField_real = 0.0_pReal
|
||||
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residual_F
|
||||
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residual_F !< stress field in disguise
|
||||
call utilities_FFTtensorForward()
|
||||
err_div = Utilities_divergenceRMS()
|
||||
call utilities_FFTtensorBackward()
|
||||
err_div = Utilities_divergenceRMS() !< root mean squared error in divergence of stress
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! constructing residual
|
||||
|
|
@ -471,8 +460,11 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = F
|
||||
call utilities_FFTtensorForward()
|
||||
err_curl = Utilities_curlRMS()
|
||||
call utilities_FFTtensorBackward()
|
||||
|
||||
|
||||
nullify(F)
|
||||
nullify(F_tau)
|
||||
nullify(residual_F)
|
||||
nullify(residual_F_tau)
|
||||
end subroutine Polarisation_formResidual
|
||||
|
||||
|
||||
|
|
@ -487,8 +479,8 @@ subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,
|
|||
err_div_tolAbs, &
|
||||
err_curl_tolRel, &
|
||||
err_curl_tolAbs, &
|
||||
err_stress_tolAbs, &
|
||||
err_stress_tolRel
|
||||
err_stress_tolRel, &
|
||||
err_stress_tolAbs
|
||||
use math, only: &
|
||||
math_mul3333xx33
|
||||
use FEsolving, only: &
|
||||
|
|
@ -507,24 +499,24 @@ subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,
|
|||
real(pReal) :: &
|
||||
curlTol, &
|
||||
divTol, &
|
||||
BC_tol
|
||||
BCTol
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! stress BC handling
|
||||
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc
|
||||
err_BC = maxval(abs((-mask_stress+1.0_pReal)*math_mul3333xx33(C_scale,F_aim-F_av) + &
|
||||
mask_stress *(P_av - params%stress_BC))) ! mask = 0.0 for no bc
|
||||
err_BC = maxval(abs((1.0_pReal-mask_stress) * math_mul3333xx33(C_scale,F_aim-F_av) + &
|
||||
mask_stress * (P_av-params%stress_BC))) ! mask = 0.0 for no bc
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! error calculation
|
||||
curlTol = max(maxval(abs(F_aim-math_I3))*err_curl_tolRel,err_curl_tolAbs)
|
||||
divTol = max(maxval(abs(P_av)) *err_div_tolRel,err_div_tolAbs)
|
||||
BC_tol = max(maxval(abs(P_av)) *err_stress_tolrel,err_stress_tolabs)
|
||||
curlTol = max(maxval(abs(F_aim-math_I3))*err_curl_tolRel ,err_curl_tolAbs)
|
||||
divTol = max(maxval(abs(P_av)) *err_div_tolRel ,err_div_tolAbs)
|
||||
BCTol = max(maxval(abs(P_av)) *err_stress_tolRel,err_stress_tolAbs)
|
||||
|
||||
converged: if ((totalIter >= itmin .and. &
|
||||
all([ err_div/divTol, &
|
||||
all([ err_div /divTol, &
|
||||
err_curl/curlTol, &
|
||||
err_BC/BC_tol ] < 1.0_pReal)) &
|
||||
err_BC /BCTol ] < 1.0_pReal)) &
|
||||
.or. terminallyIll) then
|
||||
reason = 1
|
||||
elseif (totalIter >= itmax) then converged
|
||||
|
|
@ -536,12 +528,12 @@ subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! report
|
||||
write(6,'(1/,a)') ' ... reporting .............................................................'
|
||||
write(6,'(/,a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', &
|
||||
err_curl/curlTol,' (',err_curl,' -, tol =',curlTol,')'
|
||||
write(6,' (a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
||||
err_div/divTol, ' (',err_div, ' / m, tol =',divTol,')'
|
||||
write(6,' (a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', &
|
||||
err_BC/BC_tol, ' (',err_BC, ' Pa, tol =',BC_tol,')'
|
||||
write(6,'(/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
||||
err_div/divTol, ' (',err_div, ' / m, tol = ',divTol,')'
|
||||
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', &
|
||||
err_curl/curlTol,' (',err_curl,' -, tol = ',curlTol,')'
|
||||
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', &
|
||||
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
|
||||
write(6,'(/,a)') ' ==========================================================================='
|
||||
flush(6)
|
||||
|
||||
|
|
@ -549,6 +541,8 @@ end subroutine Polarisation_converged
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief forwarding routine
|
||||
!> @details find new boundary conditions and best F estimate for end of current timestep
|
||||
!> possibly writing restart information, triggering of state increment in DAMASK, and updating of IPcoordinates
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine Polarisation_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
|
||||
use math, only: &
|
||||
|
|
@ -558,133 +552,140 @@ subroutine Polarisation_forward(guess,timeinc,timeinc_old,loadCaseTime,deformati
|
|||
math_rotate_backward33
|
||||
use numerics, only: &
|
||||
worldrank
|
||||
use homogenization, only: &
|
||||
materialpoint_F0
|
||||
use mesh, only: &
|
||||
grid3, &
|
||||
grid
|
||||
use spectral_utilities, only: &
|
||||
Utilities_calculateRate, &
|
||||
Utilities_forwardField, &
|
||||
Utilities_updateIPcoords, &
|
||||
tBoundaryCondition, &
|
||||
cutBack
|
||||
use IO, only: &
|
||||
IO_write_JobRealFile
|
||||
use FEsolving, only: &
|
||||
restartWrite
|
||||
grid, &
|
||||
grid3
|
||||
use CPFEM2, only: &
|
||||
CPFEM_age
|
||||
use spectral_utilities, only: &
|
||||
Utilities_calculateRate, &
|
||||
Utilities_forwardField, &
|
||||
Utilities_updateIPcoords, &
|
||||
tBoundaryCondition, &
|
||||
cutBack
|
||||
use IO, only: &
|
||||
IO_write_JobRealFile
|
||||
use FEsolving, only: &
|
||||
restartWrite
|
||||
|
||||
implicit none
|
||||
real(pReal), intent(in) :: &
|
||||
timeinc_old, &
|
||||
timeinc, &
|
||||
loadCaseTime !< remaining time of current load case
|
||||
type(tBoundaryCondition), intent(in) :: &
|
||||
stress_BC, &
|
||||
deformation_BC
|
||||
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
||||
logical, intent(in) :: &
|
||||
guess
|
||||
PetscErrorCode :: ierr
|
||||
PetscScalar, dimension(:,:,:,:), pointer :: xx_psc, F, F_tau
|
||||
integer(pInt) :: i, j, k
|
||||
real(pReal), dimension(3,3) :: F_lambda33
|
||||
character(len=1024) :: rankStr
|
||||
logical, intent(in) :: &
|
||||
guess
|
||||
real(pReal), intent(in) :: &
|
||||
timeinc_old, &
|
||||
timeinc, &
|
||||
loadCaseTime !< remaining time of current load case
|
||||
type(tBoundaryCondition), intent(in) :: &
|
||||
stress_BC, &
|
||||
deformation_BC
|
||||
real(pReal), dimension(3,3), intent(in) ::&
|
||||
rotation_BC
|
||||
PetscErrorCode :: ierr
|
||||
PetscScalar, dimension(:,:,:,:), pointer :: FandF_tau, F, F_tau
|
||||
integer(pInt) :: i, j, k
|
||||
real(pReal), dimension(3,3) :: F_lambda33
|
||||
character(len=32) :: rankStr
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! update coordinates and rate and forward last inc
|
||||
call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr)
|
||||
F => xx_psc(0:8,:,:,:)
|
||||
F_tau => xx_psc(9:17,:,:,:)
|
||||
if (restartWrite) then
|
||||
write(6,'(/,a)') ' writing converged results for restart'
|
||||
flush(6)
|
||||
write(rankStr,'(a1,i0)')'_',worldrank
|
||||
call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file
|
||||
write (777,rec=1) F
|
||||
close (777)
|
||||
call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file
|
||||
write (777,rec=1) F_lastInc
|
||||
close (777)
|
||||
call IO_write_jobRealFile(777,'F_tau'//trim(rankStr),size(F_tau)) ! writing deformation gradient field to file
|
||||
write (777,rec=1) F_tau
|
||||
close (777)
|
||||
call IO_write_jobRealFile(777,'F_tau_lastInc'//trim(rankStr),size(F_tau_lastInc)) ! writing F_lastInc field to file
|
||||
write (777,rec=1) F_tau_lastInc
|
||||
close (777)
|
||||
if (worldrank == 0_pInt) then
|
||||
call IO_write_jobRealFile(777,'F_aim',size(F_aim))
|
||||
write (777,rec=1) F_aim
|
||||
close(777)
|
||||
call IO_write_jobRealFile(777,'F_aim_lastInc',size(F_aim_lastInc))
|
||||
write (777,rec=1) F_aim_lastInc
|
||||
close (777)
|
||||
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 DMDAVecGetArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr)
|
||||
F => FandF_tau( 0: 8,:,:,:)
|
||||
F_tau => FandF_tau( 9:17,:,:,:)
|
||||
|
||||
call utilities_updateIPcoords(F)
|
||||
if (cutBack) then
|
||||
C_volAvg = C_volAvgLastInc ! QUESTION: where is this required?
|
||||
C_minMaxAvg = C_minMaxAvgLastInc ! QUESTION: where is this required?
|
||||
else
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! restart information for spectral solver
|
||||
if (restartWrite) then ! QUESTION: where is this logical properly set?
|
||||
write(6,'(/,a)') ' writing converged results for restart'
|
||||
flush(6)
|
||||
|
||||
if (cutBack) then
|
||||
F_aim = F_aim_lastInc
|
||||
F_tau= reshape(F_tau_lastInc,[9,grid(1),grid(2),grid3])
|
||||
F = reshape(F_lastInc, [9,grid(1),grid(2),grid3])
|
||||
C_volAvg = C_volAvgLastInc
|
||||
else
|
||||
ForwardData = .True.
|
||||
C_volAvgLastInc = C_volAvg
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate rate for aim
|
||||
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)
|
||||
elseif(deformation_BC%myType=='fdot') then ! f_aimDot is prescribed
|
||||
f_aimDot = deformation_BC%maskFloat * deformation_BC%values
|
||||
elseif(deformation_BC%myType=='f') then ! aim at end of load case is prescribed
|
||||
f_aimDot = deformation_BC%maskFloat * (deformation_BC%values -F_aim)/loadCaseTime
|
||||
endif
|
||||
if (guess) f_aimDot = f_aimDot + stress_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old
|
||||
F_aim_lastInc = F_aim
|
||||
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,'F_aimDot',size(F_aimDot))
|
||||
write (777,rec=1) F_aimDot; close(777)
|
||||
endif
|
||||
|
||||
write(rankStr,'(a1,i0)')'_',worldrank
|
||||
call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file
|
||||
write (777,rec=1) F; close (777)
|
||||
call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file
|
||||
write (777,rec=1) F_lastInc; close (777)
|
||||
call IO_write_jobRealFile(777,'F_tau'//trim(rankStr),size(F_tau)) ! writing deformation gradient field to file
|
||||
write (777,rec=1) F_tau; close (777)
|
||||
call IO_write_jobRealFile(777,'F_tau_lastInc'//trim(rankStr),size(F_tau_lastInc)) ! writing F_tau_lastInc field to file
|
||||
write (777,rec=1) F_tau_lastInc; close (777)
|
||||
endif
|
||||
|
||||
call CPFEM_age() ! age state and kinematics
|
||||
call utilities_updateIPcoords(F)
|
||||
|
||||
C_volAvgLastInc = C_volAvg
|
||||
C_minMaxAvgLastInc = C_minMaxAvg
|
||||
|
||||
if (guess) then ! QUESTION: better with a = L ? x:y
|
||||
F_aimDot = stress_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old ! initialize with correction based on last inc
|
||||
else
|
||||
F_aimDot = 0.0_pReal
|
||||
endif
|
||||
F_aim_lastInc = F_aim
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate rate for aim
|
||||
if (deformation_BC%myType=='l') then ! calculate F_aimDot from given L and current F
|
||||
F_aimDot = &
|
||||
F_aimDot + deformation_BC%maskFloat * math_mul33x33(deformation_BC%values, F_aim_lastInc)
|
||||
elseif(deformation_BC%myType=='fdot') then ! F_aimDot is prescribed
|
||||
F_aimDot = &
|
||||
F_aimDot + deformation_BC%maskFloat * deformation_BC%values
|
||||
elseif (deformation_BC%myType=='f') then ! aim at end of load case is prescribed
|
||||
F_aimDot = &
|
||||
F_aimDot + deformation_BC%maskFloat * (deformation_BC%values - F_aim_lastInc)/loadCaseTime
|
||||
endif
|
||||
|
||||
|
||||
Fdot = Utilities_calculateRate(guess, &
|
||||
F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]),timeinc_old, &
|
||||
math_rotate_backward33(F_aimDot,rotation_BC))
|
||||
F_tauDot = Utilities_calculateRate(guess, &
|
||||
F_tau_lastInc,reshape(F_tau,[3,3,grid(1),grid(2),grid3]), timeinc_old, &
|
||||
math_rotate_backward33(F_aimDot,rotation_BC))
|
||||
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3]) ! winding F forward
|
||||
F_tau_lastInc = reshape(F_tau, [3,3,grid(1),grid(2),grid3]) ! winding F_tau 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
|
||||
call utilities_updateIPcoords(F)
|
||||
Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
|
||||
timeinc_old,guess,F_lastInc, &
|
||||
reshape(F,[3,3,grid(1),grid(2),grid3]))
|
||||
F_tauDot = Utilities_calculateRate(math_rotate_backward33(2.0_pReal*f_aimDot,rotation_BC), &
|
||||
timeinc_old,guess,F_tau_lastInc, &
|
||||
reshape(F_tau,[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])
|
||||
endif
|
||||
! update average and local deformation gradients
|
||||
F_aim = F_aim_lastInc + F_aimDot * timeinc
|
||||
|
||||
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])
|
||||
F_tau = reshape(Utilities_forwardField(timeinc,F_tau_lastInc,F_taudot), & ! does not have any average value as boundary condition
|
||||
[9,grid(1),grid(2),grid3])
|
||||
if (.not. guess) then ! large strain forwarding
|
||||
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average
|
||||
math_rotate_backward33(F_aim,rotation_BC)),&
|
||||
[9,grid(1),grid(2),grid3])
|
||||
if (guess) then
|
||||
F_tau = reshape(Utilities_forwardField(timeinc,F_tau_lastInc,F_taudot), &
|
||||
[9,grid(1),grid(2),grid3]) ! does not have any average value as boundary condition
|
||||
else
|
||||
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
|
||||
F_lambda33 = reshape(F_tau(1:9,i,j,k)-F(1:9,i,j,k),[3,3])
|
||||
F_lambda33 = math_mul3333xx33(S_scale,math_mul33x33(F_lambda33, &
|
||||
math_mul3333xx33(C_scale,&
|
||||
math_mul33x33(math_transpose33(F_lambda33),&
|
||||
F_lambda33) -math_I3))*0.5_pReal)&
|
||||
F_lambda33)-math_I3))*0.5_pReal)&
|
||||
+ math_I3
|
||||
F_tau(1:9,i,j,k) = reshape(F_lambda33,[9])+F(1:9,i,j,k)
|
||||
enddo; enddo; enddo
|
||||
endif
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr)
|
||||
|
||||
nullify(F)
|
||||
nullify(F_tau)
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr)
|
||||
|
||||
end subroutine Polarisation_forward
|
||||
|
||||
|
|
|
|||
|
|
@ -16,7 +16,7 @@ module spectral_utilities
|
|||
#include <petsc/finclude/petscsys.h>
|
||||
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 :: nActiveFields = 0_pInt
|
||||
|
||||
|
|
@ -145,8 +145,7 @@ module spectral_utilities
|
|||
FIELD_UNDEFINED_ID, &
|
||||
FIELD_MECH_ID, &
|
||||
FIELD_THERMAL_ID, &
|
||||
FIELD_DAMAGE_ID, &
|
||||
utilities_calcPlasticity
|
||||
FIELD_DAMAGE_ID
|
||||
private :: &
|
||||
utilities_getFreqDerivative
|
||||
|
||||
|
|
@ -414,8 +413,7 @@ subroutine utilities_updateGamma(C,saveReference)
|
|||
write(6,'(/,a)') ' writing reference stiffness to file'
|
||||
flush(6)
|
||||
call IO_write_jobRealFile(777,'C_ref',size(C_ref))
|
||||
write (777,rec=1) C_ref
|
||||
close(777)
|
||||
write (777,rec=1) C_ref; close(777)
|
||||
endif
|
||||
endif
|
||||
|
||||
|
|
@ -800,7 +798,7 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
|||
|
||||
call math_invert(size_reduced, c_reduced, s_reduced, errmatinv) ! invert reduced stiffness
|
||||
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
|
||||
k = 0_pInt
|
||||
do n = 1_pInt,9_pInt
|
||||
|
|
@ -818,28 +816,30 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
|||
sTimesC = matmul(c_reduced,s_reduced)
|
||||
do m=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
|
||||
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
|
||||
errmatinv = errmatinv &
|
||||
.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
|
||||
if(debugGeneral .or. errmatinv) then
|
||||
write(formatString, '(I16.16)') size_reduced
|
||||
if (debugGeneral .or. errmatinv) then
|
||||
write(formatString, '(i2)') size_reduced
|
||||
formatString = '(/,a,/,'//trim(formatString)//'('//trim(formatString)//'(2x,es9.2,1x)/))'
|
||||
write(6,trim(formatString),advance='no') ' C * S (load) ', &
|
||||
transpose(matmul(c_reduced,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
|
||||
if(errmatinv) call IO_error(error_ID=400_pInt,ext_msg='utilities_maskedCompliance')
|
||||
deallocate(c_reduced)
|
||||
deallocate(s_reduced)
|
||||
deallocate(sTimesC)
|
||||
else
|
||||
temp99_real = 0.0_pReal
|
||||
endif
|
||||
if(debugGeneral) &
|
||||
write(6,'(/,a,/,9(9(2x,f12.7,1x)/),/)',advance='no') ' Masked Compliance (load) * GPa =', &
|
||||
transpose(temp99_Real*1.e9_pReal)
|
||||
flush(6)
|
||||
if(debugGeneral) then
|
||||
write(6,'(/,a,/,9(9(2x,f10.5,1x)/),/)',advance='no') &
|
||||
' Masked Compliance (load) / GPa =', transpose(temp99_Real*1.e-9_pReal)
|
||||
flush(6)
|
||||
endif
|
||||
utilities_maskedCompliance = math_Plain99to3333(temp99_Real)
|
||||
|
||||
end function utilities_maskedCompliance
|
||||
|
|
@ -925,10 +925,10 @@ 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, &
|
||||
P,C_volAvg,C_minmaxAvg,P_av,forwardData,rotation_BC)
|
||||
subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
|
||||
F,timeinc,rotation_BC)
|
||||
use IO, only: &
|
||||
IO_error
|
||||
use debug, only: &
|
||||
|
|
@ -941,31 +941,22 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
|
|||
use mesh, only: &
|
||||
grid,&
|
||||
grid3
|
||||
use FEsolving, only: &
|
||||
restartWrite
|
||||
use CPFEM2, only: &
|
||||
CPFEM_general
|
||||
use homogenization, only: &
|
||||
materialpoint_F0, &
|
||||
materialpoint_F, &
|
||||
materialpoint_P, &
|
||||
materialpoint_dPdF
|
||||
materialpoint_dPdF, &
|
||||
materialpoint_stressAndItsTangent
|
||||
|
||||
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) :: P_av !< average PK stress
|
||||
real(pReal),intent(out), dimension(3,3,grid(1),grid(2),grid3) :: P !< PK stress
|
||||
|
||||
logical :: &
|
||||
age
|
||||
real(pReal), intent(in), dimension(3,3,grid(1),grid(2),grid3) :: F !< deformation gradient target !< previous deformation gradient
|
||||
real(pReal), intent(in) :: timeinc !< loading time
|
||||
real(pReal), intent(in), dimension(3,3) :: rotation_BC !< rotation of load frame
|
||||
|
||||
|
||||
integer(pInt) :: &
|
||||
j,k,ierr
|
||||
real(pReal), dimension(3,3,3,3) :: max_dPdF, min_dPdF
|
||||
|
|
@ -976,17 +967,9 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
|
|||
|
||||
write(6,'(/,a)') ' ... evaluating constitutive response ......................................'
|
||||
flush(6)
|
||||
age = .False.
|
||||
|
||||
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
|
||||
|
||||
|
||||
materialpoint_F = reshape(F,[3,3,1,product(grid(1:2))*grid3]) ! set materialpoint target F to estimated field
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate bounds of det(F) and report
|
||||
if(debugGeneral) then
|
||||
|
|
@ -1003,7 +986,19 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
|
|||
flush(6)
|
||||
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_norm = 0.0_pReal
|
||||
|
|
@ -1021,157 +1016,24 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
|
|||
end do
|
||||
|
||||
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)
|
||||
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_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 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
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief calculates yield stress, plastic strain, total strain and their equivalent values
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine utilities_calcPlasticity(yieldStress, plasticStrain, eqStress, eqTotalStrain, &
|
||||
eqPlasticStrain, plasticWork, rotation_BC)
|
||||
use crystallite, only: &
|
||||
crystallite_Fe, &
|
||||
crystallite_P, &
|
||||
crystallite_subF
|
||||
use material, only: &
|
||||
homogenization_maxNgrains
|
||||
use mesh, only: &
|
||||
mesh_maxNips,&
|
||||
mesh_NcpElems
|
||||
use math, only: &
|
||||
math_det33, &
|
||||
math_inv33, &
|
||||
math_mul33x33, &
|
||||
math_trace33, &
|
||||
math_transpose33, &
|
||||
math_equivStrain33, &
|
||||
math_equivStress33, &
|
||||
math_rotate_forward33, &
|
||||
math_identity2nd, &
|
||||
math_crossproduct, &
|
||||
math_eigenvectorBasisSym, &
|
||||
math_eigenvectorBasisSym33, &
|
||||
math_eigenvectorBasisSym33_log, &
|
||||
math_eigenValuesVectorsSym33
|
||||
|
||||
implicit none
|
||||
|
||||
real(pReal), intent(inout) :: eqStress, eqPlasticStrain, plasticWork
|
||||
real(pReal), intent(out) :: eqTotalStrain
|
||||
real(pReal), dimension(3,3),intent(out) :: yieldStress, plasticStrain
|
||||
real(pReal), intent(in), dimension(3,3) :: rotation_BC !< rotation of load frame
|
||||
real(pReal), dimension(3,3) :: cauchy, P_av, F_av, Ve_av !< average
|
||||
real(pReal), dimension(3) :: Values, S
|
||||
real(pReal), dimension(3,3) :: Vectors, diag
|
||||
real(pReal), dimension(3,3) :: &
|
||||
Vp, F_temp, U, VT, R, V, V_total
|
||||
real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
|
||||
Be, Ve, Fe
|
||||
real(pReal), dimension(15) :: WORK !< previous deformation gradient
|
||||
integer(pInt) :: INFO, i, j, k, l, ierr
|
||||
real(pReal) :: wgtm
|
||||
real(pReal) :: eqStressOld, eqPlasticStrainOld, plasticWorkOld
|
||||
|
||||
external :: dgesvd
|
||||
|
||||
eqStressOld = eqStress
|
||||
eqPlasticStrainOld = eqPlasticStrain
|
||||
plasticWorkOld = plasticWork
|
||||
wgtm = 1.0_pReal/real(mesh_NcpElems*mesh_maxNips*homogenization_maxNgrains,pReal)
|
||||
diag = 0.0_pReal
|
||||
|
||||
P_av = sum(sum(sum(crystallite_P,dim=5),dim=4),dim=3) * wgtm
|
||||
call MPI_Allreduce(MPI_IN_PLACE,P_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
P_av = math_rotate_forward33(P_av,rotation_BC)
|
||||
|
||||
F_av = sum(sum(sum(crystallite_subF,dim=5),dim=4),dim=3) * wgtm
|
||||
call MPI_Allreduce(MPI_IN_PLACE,F_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
F_av = math_rotate_forward33(F_av,rotation_BC)
|
||||
|
||||
cauchy = 1.0_pReal/math_det33(F_av)*math_mul33x33(P_av,transpose(F_av))
|
||||
yieldStress = cauchy
|
||||
eqStress = math_equivStress33(cauchy)
|
||||
|
||||
F_temp = F_av
|
||||
call dgesvd ('A', 'A', 3, 3, F_temp, 3, S, U, 3, VT, 3, WORK, 15, INFO) ! singular value decomposition
|
||||
|
||||
R = math_mul33x33(U, VT) ! rotation of polar decomposition
|
||||
V = math_mul33x33(F_av,math_inv33(R))
|
||||
|
||||
call math_eigenValuesVectorsSym33(V,Values,Vectors)
|
||||
do l = 1_pInt, 3_pInt
|
||||
if (Values(l) < 0.0_pReal) then
|
||||
Values(l) = -Values(l)
|
||||
Vectors(1:3, l) = -Vectors(1:3, l)
|
||||
endif
|
||||
Values(l) = log(Values(l))
|
||||
diag(l,l) = Values(l)
|
||||
enddo
|
||||
if (dot_product(Vectors(1:3,1),Vectors(1:3,2)) /= 0) then
|
||||
Vectors(1:3,2) = math_crossproduct(Vectors(1:3,3), Vectors(1:3,1))
|
||||
Vectors(1:3,2) = Vectors(1:3,2)/sqrt(dot_product(Vectors(1:3,2),Vectors(1:3,2)))
|
||||
endif
|
||||
if (dot_product(Vectors(1:3,2),Vectors(1:3,3)) /= 0) then
|
||||
Vectors(1:3,3) = math_crossproduct(Vectors(1:3,1), Vectors(1:3,2))
|
||||
Vectors(1:3,3) = Vectors(1:3,3)/sqrt(dot_product(Vectors(1:3,3),Vectors(1:3,3)))
|
||||
endif
|
||||
if (dot_product(Vectors(1:3,3),Vectors(1:3,1)) /= 0) then
|
||||
Vectors(1:3,1) = math_crossproduct(Vectors(1:3,2), Vectors(1:3,3))
|
||||
Vectors(1:3,1) = Vectors(1:3,1)/sqrt(dot_product(Vectors(1:3,1),Vectors(1:3,1)))
|
||||
endif
|
||||
|
||||
V_total = REAL(math_mul33x33(Vectors, math_mul33x33(diag, transpose(Vectors))))
|
||||
eqTotalStrain = math_equivStrain33(V_total)
|
||||
|
||||
do k = 1_pInt, mesh_NcpElems; do j = 1_pInt, mesh_maxNips; do i = 1_pInt,homogenization_maxNgrains
|
||||
Fe(1:3,1:3,i,j,k) = crystallite_Fe(1:3,1:3,i,j,k)
|
||||
Fe(1:3,1:3,i,j,k) = math_rotate_forward33(Fe(1:3,1:3,i,j,k),rotation_BC)
|
||||
Be(1:3,1:3,i,j,k) = math_mul33x33(Fe(1:3,1:3,i,j,k),math_transpose33(Fe(1:3,1:3,i,j,k))) ! elastic part of left Cauchy–Green deformation tensor
|
||||
Ve(1:3,1:3,i,j,k) = math_eigenvectorBasisSym33_log(Be(1:3,1:3,i,j,k))
|
||||
enddo; enddo; enddo
|
||||
|
||||
Ve_av = sum(sum(sum(Ve,dim=5),dim=4),dim=3) * wgtm
|
||||
call MPI_Allreduce(MPI_IN_PLACE,Ve_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
|
||||
Vp = V_total - Ve_av
|
||||
|
||||
eqPlasticStrain = math_equivStrain33(Vp)
|
||||
|
||||
plasticStrain = Vp
|
||||
|
||||
plasticWork = plasticWorkOld + 0.5*(eqStressOld + eqStress) * (eqPlasticStrain - eqPlasticStrainOld)
|
||||
|
||||
end subroutine utilities_calcPlasticity
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @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: &
|
||||
grid3, &
|
||||
grid
|
||||
|
|
@ -1179,17 +1041,17 @@ pure function utilities_calculateRate(avRate,timeinc_old,guess,field_lastInc,fie
|
|||
implicit none
|
||||
real(pReal), intent(in), dimension(3,3) :: avRate !< homogeneous addon
|
||||
real(pReal), intent(in) :: &
|
||||
timeinc_old !< timeinc of last step
|
||||
dt !< timeinc between field0 and field
|
||||
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) :: &
|
||||
field_lastInc, & !< data of previous step
|
||||
field0, & !< data of previous step
|
||||
field !< data of current step
|
||||
real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: &
|
||||
utilities_calculateRate
|
||||
|
||||
if (guess) then
|
||||
utilities_calculateRate = (field-field_lastInc) / timeinc_old
|
||||
if (heterogeneous) then
|
||||
utilities_calculateRate = (field-field0) / dt
|
||||
else
|
||||
utilities_calculateRate = spread(spread(spread(avRate,3,grid(1)),4,grid(2)),5,grid3)
|
||||
endif
|
||||
|
|
|
|||
Loading…
Reference in New Issue