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on-the-fly initialization

This commit is contained in:
Martin Diehl 2019-01-30 00:11:10 +01:00
parent 1a66f976b7
commit a09036ff48
1 changed files with 17 additions and 62 deletions
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79
src/crystallite.f90
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@ -1893,19 +1893,13 @@ subroutine integrateStateRK4()
use, intrinsic :: & use, intrinsic :: &
IEEE_arithmetic IEEE_arithmetic
use mesh, only: & use mesh, only: &
mesh_element, & mesh_element
mesh_NcpElems
use material, only: & use material, only: &
homogenization_Ngrains, & homogenization_Ngrains, &
plasticState, & plasticState, &
sourceState, & sourceState, &
phase_Nsources, & phase_Nsources, &
phaseAt, phasememberAt phaseAt, phasememberAt
use config, only: &
material_Nphase
use constitutive, only: &
constitutive_collectDotState, &
constitutive_microstructure
implicit none implicit none
real(pReal), dimension(4), parameter :: & real(pReal), dimension(4), parameter :: &
@ -1920,65 +1914,28 @@ subroutine integrateStateRK4()
c, & c, &
n, & n, &
s s
integer(pInt), dimension(2) :: eIter ! bounds for element iteration
integer(pInt), dimension(2,mesh_NcpElems) :: iIter, & ! bounds for ip iteration
gIter ! bounds for grain iteration
logical :: singleRun ! flag indicating computation for single (g,i,e) triple
eIter = FEsolving_execElem(1:2)
do e = eIter(1),eIter(2)
iIter(1:2,e) = FEsolving_execIP(1:2,e)
gIter(1:2,e) = [ 1_pInt,homogenization_Ngrains(mesh_element(3,e))]
enddo
singleRun = (eIter(1) == eIter(2) .and. iIter(1,eIter(1)) == iIter(2,eIter(2)))
!--------------------------------------------------------------------------------------------------
! initialize dotState
if (.not. singleRun) then
do p = 1_pInt, material_Nphase
plasticState(p)%RK4dotState = 0.0_pReal
do s = 1_pInt, phase_Nsources(p)
sourceState(p)%p(s)%RK4dotState = 0.0_pReal
enddo
enddo
else
e = eIter(1)
i = iIter(1,e)
do g = gIter(1,e), gIter(2,e)
plasticState(phaseAt(g,i,e))%RK4dotState(:,phasememberAt(g,i,e)) = 0.0_pReal
do s = 1_pInt, phase_Nsources(phaseAt(g,i,e))
sourceState(phaseAt(g,i,e))%p(s)%RK4dotState(:,phasememberAt(g,i,e)) = 0.0_pReal
enddo
enddo
endif
call update_dotState(1.0_pReal) call update_dotState(1.0_pReal)
!--------------------------------------------------------------------------------------------------
! --- SECOND TO FOURTH RUNGE KUTTA STEP PLUS FINAL INTEGRATION ---
do n = 1_pInt,4_pInt do n = 1_pInt,4_pInt
! --- state update ---
!$OMP PARALLEL !$OMP PARALLEL DO PRIVATE(p,c)
!$OMP DO PRIVATE(p,c)
do e = FEsolving_execElem(1),FEsolving_execElem(2) do e = FEsolving_execElem(1),FEsolving_execElem(2)
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
do g = 1,homogenization_Ngrains(mesh_element(3,e)) do g = 1,homogenization_Ngrains(mesh_element(3,e))
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
p = phaseAt(g,i,e); c = phasememberAt(g,i,e) p = phaseAt(g,i,e); c = phasememberAt(g,i,e)
plasticState(p)%RK4dotState(:,c) = plasticState(p)%RK4dotState(:,c) & plasticState(p)%RK4dotState(:,c) = WEIGHT(n)*plasticState(p)%dotState(:,c) &
+ weight(n)*plasticState(p)%dotState(:,c) + merge(plasticState(p)%RK4dotState(:,c),0.0_pReal,n>1_pInt)
do s = 1_pInt, phase_Nsources(p) do s = 1_pInt, phase_Nsources(p)
sourceState(p)%p(s)%RK4dotState(:,c) = sourceState(p)%p(s)%RK4dotState(:,c) & sourceState(p)%p(s)%RK4dotState(:,c) = WEIGHT(n)*sourceState(p)%p(s)%dotState(:,c) &
+ weight(n)*sourceState(p)%p(s)%dotState(:,c) + merge(sourceState(p)%p(s)%RK4dotState(:,c),0.0_pReal,n>1_pInt)
enddo enddo
endif endif
enddo; enddo; enddo enddo; enddo; enddo
!$OMP ENDDO !$OMP END PARALLEL DO
!$OMP END PARALLEL
call update_state(TIMESTEPFRACTION(n)) call update_state(TIMESTEPFRACTION(n))
call update_deltaState call update_deltaState
@ -1988,9 +1945,8 @@ subroutine integrateStateRK4()
! --- dot state and RK dot state--- ! --- dot state and RK dot state---
first3steps: if (n < 4) then first3steps: if (n < 4) then
call update_dotState(timeStepFraction(n)) call update_dotState(TIMESTEPFRACTION(n))
endif first3steps endif first3steps
enddo enddo
@ -2458,9 +2414,8 @@ subroutine update_deltaState
i, & !< integration point index in ip loop i, & !< integration point index in ip loop
g, & !< grain index in grain loop g, & !< grain index in grain loop
p, & p, &
mySize, & mySize, &
myOffset, & myOffset, &
mySource, &
c, & c, &
s s
logical :: & logical :: &
@ -2469,7 +2424,7 @@ subroutine update_deltaState
nonlocalStop = .false. nonlocalStop = .false.
!$OMP PARALLEL DO PRIVATE(p,c,myOffset,mySize,mySource,NaN) !$OMP PARALLEL DO PRIVATE(p,c,myOffset,mySize,NaN)
do e = FEsolving_execElem(1),FEsolving_execElem(2) do e = FEsolving_execElem(1),FEsolving_execElem(2)
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
do g = 1,homogenization_Ngrains(mesh_element(3,e)) do g = 1,homogenization_Ngrains(mesh_element(3,e))
@ -2489,15 +2444,15 @@ subroutine update_deltaState
plasticState(p)%state(myOffset + 1_pInt: myOffset + mySize,c) = & plasticState(p)%state(myOffset + 1_pInt: myOffset + mySize,c) = &
plasticState(p)%state(myOffset + 1_pInt: myOffset + mySize,c) + & plasticState(p)%state(myOffset + 1_pInt: myOffset + mySize,c) + &
plasticState(p)%deltaState(1:mySize,c) plasticState(p)%deltaState(1:mySize,c)
do mySource = 1_pInt, phase_Nsources(p) do s = 1_pInt, phase_Nsources(p)
myOffset = sourceState(p)%p(mySource)%offsetDeltaState myOffset = sourceState(p)%p(s)%offsetDeltaState
mySize = sourceState(p)%p(mySource)%sizeDeltaState mySize = sourceState(p)%p(s)%sizeDeltaState
NaN = NaN .or. any(IEEE_is_NaN(sourceState(p)%p(mySource)%deltaState(1:mySize,c))) NaN = NaN .or. any(IEEE_is_NaN(sourceState(p)%p(s)%deltaState(1:mySize,c)))
if (.not. NaN) then if (.not. NaN) then
sourceState(p)%p(mySource)%state(myOffset + 1_pInt:myOffset +mySize,c) = & sourceState(p)%p(s)%state(myOffset + 1_pInt:myOffset +mySize,c) = &
sourceState(p)%p(mySource)%state(myOffset + 1_pInt:myOffset +mySize,c) + & sourceState(p)%p(s)%state(myOffset + 1_pInt:myOffset +mySize,c) + &
sourceState(p)%p(mySource)%deltaState(1:mySize,c) sourceState(p)%p(s)%deltaState(1:mySize,c)
endif endif
enddo enddo
endif endif