Merge branch '46-simplification-of-crystallite-f90-NEW5' into development

This commit is contained in:
Martin Diehl 2019-01-23 11:27:31 +01:00
commit d9853e921e
1 changed files with 76 additions and 264 deletions

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@ -1764,49 +1764,9 @@ subroutine integrateStateFPI()
endif
enddo; enddo; enddo
!$OMP ENDDO
#ifdef DEBUG
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) &
write(6,'(a,i8,a)') '<< CRYST >> ', count(crystallite_todo(:,:,:)),' grains todo after stress integration'
#endif
! --- DOT STATE ---
!$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
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) &
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Fe, &
crystallite_Fi(1:3,1:3,g,i,e), &
crystallite_Fp, &
crystallite_subdt(g,i,e), crystallite_subFrac, g,i,e)
enddo; enddo; enddo
!$OMP ENDDO
!$OMP DO PRIVATE(p,c)
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
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
p = phaseAt(g,i,e)
c = phasememberAt(g,i,e)
NaN = any(IEEE_is_NaN(plasticState(p)%dotState(:,c)))
do mySource = 1_pInt, phase_Nsources(p)
NaN = NaN .or. any(IEEE_is_NaN(sourceState(p)%p(mySource)%dotState(:,c)))
enddo
if (NaN) then ! NaN occured in any dotState
crystallite_todo(g,i,e) = .false. ! ... skip me next time
if (.not. crystallite_localPlasticity(g,i,e)) then ! if me is non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
endif
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
!$OMP END PARALLEL
call update_dotState(1.0_pReal)
!$OMP PARALLEL
! --- UPDATE STATE ---
!$OMP DO PRIVATE(dot_prod12,dot_prod22, &
@ -2055,44 +2015,10 @@ eIter = FEsolving_execElem(1:2)
singleRun = (eIter(1) == eIter(2) .and. iIter(1,eIter(1)) == iIter(2,eIter(2)))
call update_dotState(1.0_pReal)
!$OMP PARALLEL
! --- DOT STATE ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) &
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Fe, &
crystallite_Fi(1:3,1:3,g,i,e), &
crystallite_Fp, &
crystallite_subdt(g,i,e), crystallite_subFrac, g,i,e)
enddo; enddo; enddo
!$OMP ENDDO
!$OMP DO PRIVATE(p,c,NaN)
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
c = phasememberAt(g,i,e)
p = phaseAt(g,i,e)
NaN = any(IEEE_is_NaN(plasticState(p)%dotState(:,c)))
do mySource = 1_pInt, phase_Nsources(p)
NaN = NaN .or. any(IEEE_is_NaN(sourceState(p)%p(mySource)%dotState(:,c)))
enddo
if (NaN) then ! NaN occured in any 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
enddo; enddo; enddo
!$OMP ENDDO
! --- UPDATE STATE ---
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeSourceDotState,p,c)
@ -2284,42 +2210,11 @@ subroutine integrateStateAdaptiveEuler()
sourceStateResiduum = 0.0_pReal
relSourceStateResiduum = 0.0_pReal
!--------------------------------------------------------------------------------------------------
! contribution to state and relative residui and from Euler integration
call update_dotState(1.0_pReal)
!$OMP PARALLEL
! --- DOT STATE (EULER INTEGRATION) ---
!$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
if (crystallite_todo(g,i,e)) &
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Fe, &
crystallite_Fi(1:3,1:3,g,i,e), &
crystallite_Fp, &
crystallite_subdt(g,i,e), crystallite_subFrac, g,i,e)
enddo; enddo; enddo
!$OMP ENDDO
!$OMP DO PRIVATE(p,c,NaN)
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
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
p = phaseAt(g,i,e)
c = phasememberAt(g,i,e)
NaN = any(IEEE_is_NaN(plasticState(p)%dotState(:,c)))
do mySource = 1_pInt, phase_Nsources(p)
NaN = NaN .or. any(IEEE_is_NaN(sourceState(p)%p(mySource)%dotState(:,c)))
enddo
if (NaN) then ! NaN occured in any dotState
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
! --- STATE UPDATE (EULER INTEGRATION) ---
@ -2605,43 +2500,8 @@ subroutine integrateStateRK4()
enddo
endif
!--------------------------------------------------------------------------------------------------
! first Runge-Kutta step
!$OMP PARALLEL
!$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
if (crystallite_todo(g,i,e)) &
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Fe, &
crystallite_Fi(1:3,1:3,g,i,e), &
crystallite_Fp, &
crystallite_subdt(g,i,e), crystallite_subFrac, g,i,e)
enddo; enddo; enddo
!$OMP ENDDO
call update_dotState(1.0_pReal)
!$OMP DO PRIVATE(p,c,NaN)
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
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
c = phasememberAt(g,i,e)
p = phaseAt(g,i,e)
NaN = any(IEEE_is_NaN(plasticState(p)%dotState(:,c)))
do mySource = 1_pInt, phase_Nsources(p)
NaN = NaN .or. any(IEEE_is_NaN(sourceState(p)%p(mySource)%dotState(:,c)))
enddo
if (NaN) then ! NaN occured in any dotState
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
!$OMP END PARALLEL
!--------------------------------------------------------------------------------------------------
! --- SECOND TO FOURTH RUNGE KUTTA STEP PLUS FINAL INTEGRATION ---
@ -2746,48 +2606,14 @@ subroutine integrateStateRK4()
endif
enddo; enddo; enddo
!$OMP ENDDO
!$OMP END PARALLEL
! --- dot state and RK dot state---
first3steps: if (n < 4) then
!$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
if (crystallite_todo(g,i,e)) &
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Fe, &
crystallite_Fi(1:3,1:3,g,i,e), &
crystallite_Fp, &
timeStepFraction(n)*crystallite_subdt(g,i,e), & ! fraction of original timestep
crystallite_subFrac, g,i,e)
enddo; enddo; enddo
!$OMP ENDDO
!$OMP DO PRIVATE(p,c,NaN)
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
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
p = phaseAt(g,i,e)
c = phasememberAt(g,i,e)
NaN = any(IEEE_is_NaN(plasticState(p)%dotState(:,c)))
do mySource = 1_pInt, phase_Nsources(p)
NaN = NaN .or. any(IEEE_is_NaN(sourceState(p)%p(mySource)%dotState(:,c)))
enddo
if (NaN) then ! NaN occured in any dotState
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
call update_dotState(timeStepFraction(n))
endif first3steps
!$OMP END PARALLEL
enddo
@ -2914,43 +2740,7 @@ subroutine integrateStateRKCK45()
singleRun = (eIter(1) == eIter(2) .and. iIter(1,eIter(1)) == iIter(2,eIter(2)))
! --- FIRST RUNGE KUTTA STEP ---
!$OMP PARALLEL
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) &
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Fe, &
crystallite_Fi(1:3,1:3,g,i,e), &
crystallite_Fp, &
crystallite_subdt(g,i,e), crystallite_subFrac, g,i,e)
enddo; enddo; enddo
!$OMP ENDDO
!$OMP DO PRIVATE(p,cc,NaN)
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
cc = phasememberAt(g,i,e)
p = phaseAt(g,i,e)
NaN = any(IEEE_is_NaN(plasticState(p)%dotState(:,cc)))
do mySource = 1_pInt, phase_Nsources(p)
NaN = NaN .or. any(IEEE_is_NaN(sourceState(p)%p(mySource)%dotState(:,cc)))
enddo
if (NaN) then ! NaN occured in any 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
enddo; enddo; enddo
!$OMP ENDDO
!$OMP END PARALLEL
call update_dotState(1.0_pReal)
! --- SECOND TO SIXTH RUNGE KUTTA STEP ---
@ -3064,48 +2854,8 @@ subroutine integrateStateRKCK45()
endif
enddo; enddo; enddo
!$OMP ENDDO
! --- dot state and RK dot state---
#ifdef DEBUG
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) &
write(6,'(a,1x,i1)') '<< CRYST >> Runge--Kutta step',stage+1_pInt
#endif
!$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
if (crystallite_todo(g,i,e)) &
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Fe, &
crystallite_Fi(1:3,1:3,g,i,e), &
crystallite_Fp, &
C(stage)*crystallite_subdt(g,i,e), & ! fraction of original timestep
crystallite_subFrac, g,i,e)
enddo; enddo; enddo
!$OMP ENDDO
!$OMP DO PRIVATE(p,cc,NaN)
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
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
p = phaseAt(g,i,e)
cc = phasememberAt(g,i,e)
NaN = any(IEEE_is_NaN(plasticState(p)%dotState(:,cc)))
do mySource = 1_pInt, phase_Nsources(p)
NaN = NaN .or. any(IEEE_is_NaN(sourceState(p)%p(mySource)%dotState(:,cc)))
enddo
if (NaN) then ! NaN occured in any dotState
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
!$OMP END PARALLEL
call update_dotState(C(stage))
enddo
@ -3305,6 +3055,68 @@ subroutine integrateStateRKCK45()
end subroutine integrateStateRKCK45
!--------------------------------------------------------------------------------------------------
!> @brief triggers calculation of all new rates
!> if NaN occurs, crystallite_todo is set to FALSE. Any NaN in a nonlocal propagates to all others
!--------------------------------------------------------------------------------------------------
subroutine update_dotState(timeFraction)
use, intrinsic :: &
IEEE_arithmetic
use material, only: &
plasticState, &
sourceState, &
phaseAt, phasememberAt, &
phase_Nsources
use constitutive, only: &
constitutive_collectDotState
implicit none
real(pReal), intent(in) :: &
timeFraction
integer(pInt) :: &
e, & !< element index in element loop
i, & !< integration point index in ip loop
g, & !< grain index in grain loop
p, &
c, &
s
logical :: &
NaN
!$OMP PARALLEL
!$OMP DO PRIVATE (p,c,NaN)
do e = FEsolving_execElem(1),FEsolving_execElem(2)
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
do g = 1,homogenization_Ngrains(mesh_element(3,e))
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Fe, &
crystallite_Fi(1:3,1:3,g,i,e), &
crystallite_Fp, &
crystallite_subdt(g,i,e)*timeFraction, crystallite_subFrac, g,i,e)
p = phaseAt(g,i,e); c = phasememberAt(g,i,e)
NaN = any(IEEE_is_NaN(plasticState(p)%dotState(:,c)))
do s = 1_pInt, phase_Nsources(p)
NaN = NaN .or. any(IEEE_is_NaN(sourceState(p)%p(s)%dotState(:,c)))
enddo
if (NaN) then
crystallite_todo(g,i,e) = .false. ! this one done (and broken)
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken is a local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals done (and broken)
!$OMP END CRITICAL (checkTodo)
endif
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
!$OMP END PARALLEL
end subroutine update_DotState
!--------------------------------------------------------------------------------------------------
!> @brief calculates a jump in the state according to the current state and the current stress
!> returns true, if state jump was successfull or not needed. false indicates NaN in delta state