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fixed small allocation flaws for new state

This commit is contained in:
Martin Diehl 2014-05-12 13:00:37 +00:00
parent 838a8be1b9
commit 4bfced1a70
5 changed files with 104 additions and 23 deletions
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27
code/CPFEM.f90
View File

@ -300,7 +300,11 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature, dt, el
#endif
material_phase
use constitutive, only: &
constitutive_state0,constitutive_state
constitutive_state0, &
#ifdef NEWSTATE
mappingConstitutive,&
#endif
constitutive_state
use crystallite, only: &
crystallite_partionedF,&
crystallite_F0, &
@ -389,17 +393,29 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature, dt, el
crystallite_Lp0 = crystallite_Lp ! crystallite plastic velocity
crystallite_dPdF0 = crystallite_dPdF ! crystallite stiffness
crystallite_Tstar0_v = crystallite_Tstar_v ! crystallite 2nd Piola Kirchhoff stress
forall ( i = 1:homogenization_maxNgrains, &
j = 1:mesh_maxNips, &
k = 1:mesh_NcpElems ) &
constitutive_state0(i,j,k)%p = constitutive_state(i,j,k)%p ! microstructure of crystallites
#ifdef NEWSTATE
!(:) needed? A component cannot be an array if the encompassing structure is an array
!plasticState(:)%state0(:,:)=plasticState(:)%state(:,:)
forall ( i = 1:size(plasticState)) &
plasticState(i)%state0= plasticState(i)%state ! microstructure of crystallites
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
if (iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,'(a)') '<< CPFEM >> aging states'
if (debug_e <= mesh_NcpElems .and. debug_i <= mesh_maxNips) then
write(6,'(a,1x,i8,1x,i2,1x,i4,/,(12x,6(e20.8,1x)),/)') '<< CPFEM >> aged state of elFE ip grain',&
debug_e, debug_i, 1, &
plasticState(mappingConstitutive(2,1,debug_i,debug_e))%state(:,mappingConstitutive(1,1,debug_i,debug_e))
endif
!$OMP END CRITICAL (write2out)
endif
#endif
if (iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,'(a)') '<< CPFEM >> aging states'
@ -409,6 +425,7 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature, dt, el
endif
!$OMP END CRITICAL (write2out)
endif
!$OMP PARALLEL DO
do k = 1,mesh_NcpElems
do j = 1,mesh_maxNips

9
code/constitutive.f90
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@ -147,8 +147,8 @@ subroutine constitutive_init
character(len=32) :: outputName !< name of output, intermediate fix until HDF5 output is ready
logical :: knownPlasticity, nonlocalConstitutionPresent
#if defined(HDF) || defined(NEWSTATE)
allocate(mappingConstitutive(homogenization_maxngrains,mesh_maxNips,mesh_ncpelems,2),source=0_pInt)
allocate(mappingCrystallite (homogenization_maxngrains,mesh_ncpelems,2),source=0_pInt)
allocate(mappingConstitutive(2,homogenization_maxngrains,mesh_maxNips,mesh_ncpelems),source=0_pInt)
allocate(mappingCrystallite (2,homogenization_maxngrains,mesh_ncpelems),source=0_pInt)
allocate(ConstitutivePosition(material_nphase),source=0_pInt)
allocate(CrystallitePosition(material_nphase),source=0_pInt)
#endif
@ -221,7 +221,6 @@ subroutine constitutive_init
iMax = mesh_maxNips
eMax = mesh_NcpElems
! lumped into new state
allocate(constitutive_state0(cMax,iMax,eMax))
@ -258,8 +257,8 @@ subroutine constitutive_init
phase = material_phase(g,i,e)
instance = phase_plasticityInstance(phase)
#if defined(HDF) || defined(NEWSTATE)
ConstitutivePosition(phase) = ConstitutivePosition(phase)+1_pInt
mappingConstitutive(g,i,e,1:2) = [ConstitutivePosition(phase),phase]
ConstitutivePosition(phase) = ConstitutivePosition(phase)+1_pInt ! not distinguishing between instances of same phase
mappingConstitutive(1:2,g,i,e) = [ConstitutivePosition(phase),phase]
#endif
select case(phase_plasticity(material_phase(g,i,e)))
case (PLASTICITY_NONE_ID)

2
code/constitutive_j2.f90
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@ -316,7 +316,7 @@ subroutine constitutive_j2_init(fileUnit)
allocate(plasticState(phase)%subState0 (sizeState,NofMyPhase),source=0.0_pReal)
allocate(plasticState(phase)%state (sizeState,NofMyPhase),source=constitutive_j2_tau0(instance))
allocate(plasticState(phase)%state_backup (sizeState,NofMyPhase),source=0.0_pReal)
allocate(plasticState(phase)%aTolState (sizeState,NofMyPhase),constitutive_j2_aTolResistance(instance))
allocate(plasticState(phase)%aTolState (sizeState,NofMyPhase),source=constitutive_j2_aTolResistance(instance))
allocate(plasticState(phase)%dotState (sizeDotState,NofMyPhase),source=0.0_pReal)
allocate(plasticState(phase)%deltaState (sizeDotState,NofMyPhase),source=0.0_pReal)
allocate(plasticState(phase)%dotState_backup (sizeDotState,NofMyPhase),source=0.0_pReal)

76
code/crystallite.f90
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@ -529,6 +529,9 @@ subroutine crystallite_stressAndItsTangent(updateJaco,rate_sensitivity)
FE_cellType
use material, only: &
homogenization_Ngrains, &
#ifdef NEWSTATE
plasticState, &
#endif
homogenization_maxNgrains
use constitutive, only: &
constitutive_sizeState, &
@ -539,6 +542,9 @@ subroutine crystallite_stressAndItsTangent(updateJaco,rate_sensitivity)
constitutive_partionedState0, &
constitutive_dotState, &
constitutive_dotState_backup, &
#ifdef NEWSTATE
mappingConstitutive, &
#endif
constitutive_TandItsTangent
implicit none
@ -921,6 +927,10 @@ subroutine crystallite_stressAndItsTangent(updateJaco,rate_sensitivity)
math_mul33x33(crystallite_subF(1:3,1:3,g,i,e), crystallite_invFp(1:3,1:3,g,i,e)) ! only needed later on for stiffness calculation
crystallite_subLp0(1:3,1:3,g,i,e) = crystallite_Lp(1:3,1:3,g,i,e) ! ...plastic velocity gradient
constitutive_subState0(g,i,e)%p = constitutive_state(g,i,e)%p ! ...microstructure
#ifdef NEWSTATE
plasticState(mappingConstitutive(2,g,i,e))%subState0(:,mappingConstitutive(1,g,i,e)) = &
plasticState(mappingConstitutive(2,g,i,e))%state(:,mappingConstitutive(1,g,i,e))
#endif
crystallite_subTstar0_v(1:6,g,i,e) = crystallite_Tstar_v(1:6,g,i,e) ! ...2nd PK stress
if (crystallite_syncSubFrac(i,e)) then ! if we just did a synchronization of states, then we wind forward without any further time integration
crystallite_syncSubFracCompleted(i,e) = .true.
@ -965,6 +975,10 @@ subroutine crystallite_stressAndItsTangent(updateJaco,rate_sensitivity)
!$OMP FLUSH(crystallite_invFp)
crystallite_Lp(1:3,1:3,g,i,e) = crystallite_subLp0(1:3,1:3,g,i,e) ! ...plastic velocity grad
constitutive_state(g,i,e)%p = constitutive_subState0(g,i,e)%p ! ...microstructure
#ifdef NEWSTATE
plasticState(mappingConstitutive(2,g,i,e))%state(:,mappingConstitutive(1,g,i,e)) = &
plasticState(mappingConstitutive(2,g,i,e))%subState0(:,mappingConstitutive(1,g,i,e))
#endif
crystallite_Tstar_v(1:6,g,i,e) = crystallite_subTstar0_v(1:6,g,i,e) ! ...2nd PK stress
! cant restore dotState here, since not yet calculated in first cutback after initialization
crystallite_todo(g,i,e) = crystallite_subStep(g,i,e) > subStepMinCryst ! still on track or already done (beyond repair)
@ -1180,6 +1194,13 @@ subroutine crystallite_stressAndItsTangent(updateJaco,rate_sensitivity)
constitutive_state(g,i,e)%p(1:constitutive_sizeState(g,i,e)) ! remember unperturbed, converged state, ...
constitutive_dotState_backup(g,i,e)%p(1:constitutive_sizeDotState(g,i,e)) = &
constitutive_dotState(g,i,e)%p(1:constitutive_sizeDotState(g,i,e)) ! ... dotStates, ...
#ifdef NEWSTATE
plasticState(mappingConstitutive(2,g,i,e))%state_backup(:,mappingConstitutive(1,g,i,e)) = &
plasticState(mappingConstitutive(2,g,i,e))%state(:,mappingConstitutive(1,g,i,e))
plasticState(mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e)) = &
plasticState(mappingConstitutive(2,g,i,e))%dotState(:,mappingConstitutive(1,g,i,e))
#endif
F_backup(1:3,1:3,g,i,e) = crystallite_subF(1:3,1:3,g,i,e) ! ... and kinematics
Fp_backup(1:3,1:3,g,i,e) = crystallite_Fp(1:3,1:3,g,i,e)
InvFp_backup(1:3,1:3,g,i,e) = crystallite_invFp(1:3,1:3,g,i,e)
@ -1208,7 +1229,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco,rate_sensitivity)
! --- INITIALIZE UNPERTURBED STATE ---
select case(numerics_integrator(numerics_integrationMode))
case(1_pInt) ! Fix-point method: restore to last converged state at end of subinc, since this is probably closest to perturbed state
case(1_pInt) ! Fix-point method: restore to last converged state at end of subinc, since this is probably closest to perturbed state
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), g = 1:myNgrains)
@ -1216,6 +1237,12 @@ subroutine crystallite_stressAndItsTangent(updateJaco,rate_sensitivity)
constitutive_state_backup(g,i,e)%p(1:constitutive_sizeState(g,i,e))
constitutive_dotState(g,i,e)%p(1:constitutive_sizeDotState(g,i,e)) = &
constitutive_dotState_backup(g,i,e)%p(1:constitutive_sizeDotState(g,i,e))
#ifdef NEWSTATE
plasticState(mappingConstitutive(2,g,i,e))%state(:,mappingConstitutive(1,g,i,e)) = &
plasticState(mappingConstitutive(2,g,i,e))%state_backup(:,mappingConstitutive(1,g,i,e))
plasticState(mappingConstitutive(2,g,i,e))%dotState(:,mappingConstitutive(1,g,i,e)) = &
plasticState(mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e))
#endif
crystallite_Fp(1:3,1:3,g,i,e) = Fp_backup(1:3,1:3,g,i,e)
crystallite_invFp(1:3,1:3,g,i,e) = InvFp_backup(1:3,1:3,g,i,e)
crystallite_Fe(1:3,1:3,g,i,e) = Fe_backup(1:3,1:3,g,i,e)
@ -1223,8 +1250,8 @@ subroutine crystallite_stressAndItsTangent(updateJaco,rate_sensitivity)
crystallite_Tstar_v(1:6,g,i,e) = Tstar_v_backup(1:6,g,i,e)
endforall
enddo
case(2_pInt,3_pInt) ! explicit Euler methods: nothing to restore (except for F), since we are only doing a stress integration step
case(4_pInt,5_pInt) ! explicit Runge-Kutta methods: restore to start of subinc, since we are doing a full integration of state and stress
case(2_pInt,3_pInt) ! explicit Euler methods: nothing to restore (except for F), since we are only doing a stress integration step
case(4_pInt,5_pInt) ! explicit Runge-Kutta methods: restore to start of subinc, since we are doing a full integration of state and stress
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), g = 1:myNgrains)
@ -1232,6 +1259,12 @@ subroutine crystallite_stressAndItsTangent(updateJaco,rate_sensitivity)
constitutive_subState0(g,i,e)%p(1:constitutive_sizeState(g,i,e))
constitutive_dotState(g,i,e)%p(1:constitutive_sizeDotState(g,i,e)) = &
constitutive_dotState_backup(g,i,e)%p(1:constitutive_sizeDotState(g,i,e))
#ifdef NEWSTATE
plasticState(mappingConstitutive(2,g,i,e))%state(:,mappingConstitutive(1,g,i,e)) = &
plasticState(mappingConstitutive(2,g,i,e))%subState0(:,mappingConstitutive(1,g,i,e))
plasticState(mappingConstitutive(2,g,i,e))%dotState(:,mappingConstitutive(1,g,i,e)) = &
plasticState(mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e))
#endif
crystallite_Fp(1:3,1:3,g,i,e) = crystallite_subFp0(1:3,1:3,g,i,e)
crystallite_Fe(1:3,1:3,g,i,e) = crystallite_subFe0(1:3,1:3,g,i,e)
crystallite_Lp(1:3,1:3,g,i,e) = crystallite_subLp0(1:3,1:3,g,i,e)
@ -1318,6 +1351,13 @@ subroutine crystallite_stressAndItsTangent(updateJaco,rate_sensitivity)
constitutive_state_backup(g,i,e)%p(1:constitutive_sizeState(g,i,e))
constitutive_dotState(g,i,e)%p(1:constitutive_sizeDotState(g,i,e)) = &
constitutive_dotState_backup(g,i,e)%p(1:constitutive_sizeDotState(g,i,e))
#ifdef NEWSTATE
plasticState(mappingConstitutive(2,g,i,e))%state(:,mappingConstitutive(1,g,i,e)) = &
plasticState(mappingConstitutive(2,g,i,e))%state_backup(:,mappingConstitutive(1,g,i,e))
plasticState(mappingConstitutive(2,g,i,e))%dotState(:,mappingConstitutive(1,g,i,e)) = &
plasticState(mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e))
#endif
crystallite_subF(1:3,1:3,g,i,e) = F_backup(1:3,1:3,g,i,e)
crystallite_Fp(1:3,1:3,g,i,e) = Fp_backup(1:3,1:3,g,i,e)
crystallite_invFp(1:3,1:3,g,i,e) = InvFp_backup(1:3,1:3,g,i,e)
@ -1371,6 +1411,9 @@ subroutine crystallite_integrateStateRK4()
mesh_maxNips
use material, only: &
homogenization_Ngrains, &
#ifdef NEWSTATE
plasticState, &
#endif
homogenization_maxNgrains
use constitutive, only: &
constitutive_sizeDotState, &
@ -1381,6 +1424,9 @@ subroutine crystallite_integrateStateRK4()
constitutive_collectDotState, &
constitutive_deltaState, &
constitutive_collectDeltaState, &
#ifdef NEWSTATE
mappingConstitutive, &
#endif
constitutive_microstructure
implicit none
@ -1413,6 +1459,9 @@ subroutine crystallite_integrateStateRK4()
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
constitutive_RK4dotState(g,i,e)%p = 0.0_pReal ! initialize Runge-Kutta dotState
#ifdef NEWSTATE
plasticState(mappingConstitutive(2,g,i,e))%RK4dotState(:,mappingConstitutive(1,g,i,e)) = 0.0_pReal
#endif
if (crystallite_todo(g,i,e)) then
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Fe, &
crystallite_Fp, crystallite_temperature(i,e), &
@ -1424,7 +1473,21 @@ subroutine crystallite_integrateStateRK4()
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
#ifdef NEWSTATE
if ( any(plasticState(mappingConstitutive(2,g,i,e))%dotState(:,mappingConstitutive(1,g,i,e)) &
/= plasticState(mappingConstitutive(2,g,i,e))%dotState(:,mappingConstitutive(1,g,i,e))) )then ! NaN occured in dotState
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif
#endif
if ( any(constitutive_dotState(g,i,e)%p /= constitutive_dotState(g,i,e)%p) )then ! NaN occured in dotState
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
@ -3547,4 +3610,11 @@ function crystallite_postResults(ipc, ip, el)
end function crystallite_postResults
!subroutine gradients
!use DAMASK_spectral_utilities
!implicit none
!end subroutine gradients
end module crystallite

13
code/homogenization.f90
View File

@ -373,6 +373,10 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
crystallite_partioneddPdF0(1:3,1:3,1:3,1:3,g,i,e) = crystallite_dPdF0(1:3,1:3,1:3,1:3,g,i,e) ! ...stiffness
crystallite_partionedF0(1:3,1:3,g,i,e) = crystallite_F0(1:3,1:3,g,i,e) ! ...def grads
crystallite_partionedTstar0_v(1:6,g,i,e) = crystallite_Tstar0_v(1:6,g,i,e) ! ...2nd PK stress
#ifdef NEWSTATE
plasticState(mappingConstitutive(2,g,i,e))%partionedState0(:,mappingConstitutive(1,g,i,e)) = &
plasticState(mappingConstitutive(2,g,i,e))%state0(:,mappingConstitutive(1,g,i,e))
#endif
endforall
forall(i = FEsolving_execIP(1,e):FEsolving_execIP(2,e))
materialpoint_subF0(1:3,1:3,i,e) = materialpoint_F0(1:3,1:3,i,e) ! ...def grad
@ -384,15 +388,6 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
forall(i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), homogenization_sizeState(i,e) > 0_pInt) &
homogenization_subState0(i,e)%p = homogenization_state0(i,e)%p ! ...internal homogenization state
enddo
#ifdef NEWSTATE
do i = FEsolving_execIP(1,e), FEsolving_execIP(2,e)
do g = 1, myNgrains
plasticState(mappingConstitutive(g,i,e,1))%partionedState0(:,mappingConstitutive(g,i,e,2)) = &
plasticState(mappingConstitutive(g,i,e,1))%state0(:,mappingConstitutive(g,i,e,2))
enddo
enddo
#endif
NiterationHomog = 0_pInt
cutBackLooping: do while (.not. terminallyIll .and. &