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takeover from RKCK45

This commit is contained in:
Martin Diehl 2020-03-26 21:46:28 +01:00
parent c490b4bea4
commit fdbbb94aac
3 changed files with 142 additions and 46 deletions
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172
src/crystallite.f90
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@ -1346,55 +1346,151 @@ end subroutine integrateStateAdaptiveEuler
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine integrateStateRK4 subroutine integrateStateRK4
real(pReal), dimension(3,3), parameter :: &
A = reshape([&
0.5_pReal, 0.0_pReal, 0.0_pReal, &
0.0_pReal, 0.5_pReal, 0.0_pReal, &
0.0_pReal, 0.0_pReal, 1.0_pReal], &
[3,3])
real(pReal), dimension(3), parameter :: &
CC = [0.5_pReal, 0.5_pReal, 1.0_pReal] ! factor giving the fraction of the original timestep used for Runge Kutta Integration
real(pReal), dimension(4), parameter :: & real(pReal), dimension(4), parameter :: &
CC = [0.5_pReal, 0.5_pReal, 1.0_pReal, 1.0_pReal] ! factor giving the fraction of the original timestep used for Runge Kutta Integration B = [1.0_pReal/6.0_pReal, 1.0_pReal/3.0_pReal, 1.0_pReal/3.0_pReal, 1.0_pReal/6.0_pReal] ! weight of slope used for Runge Kutta integration (final weight divided by 6)
real(pReal), dimension(4), parameter :: &
B = [1.0_pReal, 2.0_pReal, 2.0_pReal, 1.0_pReal/6.0_pReal] ! weight of slope used for Runge Kutta integration (final weight divided by 6)
integer :: e, & ! element index in element loop integer :: &
i, & ! integration point index in ip loop e, & ! element index in element loop
g, & ! grain index in grain loop i, & ! integration point index in ip loop
p, & ! phase loop g, & ! grain index in grain loop
c, & stage, & ! stage index in integration stage loop
n, & n, &
s p, &
c, &
s, &
sizeDotState
logical :: &
nonlocalBroken
call update_dotState(1.0_pReal) nonlocalBroken = .false.
!$OMP PARALLEL DO PRIVATE(sizeDotState,p,c)
do e = FEsolving_execElem(1),FEsolving_execElem(2)
do i = FEsolving_execIP(1),FEsolving_execIP(2)
do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
if(crystallite_todo(g,i,e) .and. (.not. nonlocalBroken .or. crystallite_localPlasticity(g,i,e)) ) then
p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e)
do n = 1,4 call constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
crystallite_partionedF0, &
crystallite_Fi(1:3,1:3,g,i,e), &
crystallite_partionedFp0, &
crystallite_subdt(g,i,e), g,i,e)
crystallite_todo(g,i,e) = all(.not. IEEE_is_NaN(plasticState(p)%dotState(:,c)))
do s = 1, phase_Nsources(p)
crystallite_todo(g,i,e) = crystallite_todo(g,i,e) .and. all(.not. IEEE_is_NaN(sourceState(p)%p(s)%dotState(:,c)))
enddo
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
nonlocalBroken = .true.
if(.not. crystallite_todo(g,i,e)) cycle
!$OMP PARALLEL DO PRIVATE(p,c) do stage = 1,3
do e = FEsolving_execElem(1),FEsolving_execElem(2)
do i = FEsolving_execIP(1),FEsolving_execIP(2)
do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
if (crystallite_todo(g,i,e)) then
p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e)
plasticState(p)%RK4dotState(:,c) = B(n)*plasticState(p)%dotState(:,c) & plasticState(p)%RK4dotState(stage,:,c) = plasticState(p)%dotState(:,c)
+ merge(plasticState(p)%RK4dotState(:,c),0.0_pReal,n>1) plasticState(p)%dotState(:,c) = A(1,stage) * plasticState(p)%RK4dotState(1,:,c)
do s = 1, phase_Nsources(p) do s = 1, phase_Nsources(p)
sourceState(p)%p(s)%RK4dotState(:,c) = B(n)*sourceState(p)%p(s)%dotState(:,c) & sourceState(p)%p(s)%RK4dotState(stage,:,c) = sourceState(p)%p(s)%dotState(:,c)
+ merge(sourceState(p)%p(s)%RK4dotState(:,c),0.0_pReal,n>1) sourceState(p)%p(s)%dotState(:,c) = A(1,stage) * sourceState(p)%p(s)%RK4dotState(1,:,c)
enddo enddo
endif
enddo; enddo; enddo
!$OMP END PARALLEL DO
call update_state(CC(n)) do n = 2, stage
call update_deltaState plasticState(p)%dotState(:,c) = plasticState(p)%dotState(:,c) &
call update_dependentState + A(n,stage) * plasticState(p)%RK4dotState(n,:,c)
call update_stress(CC(n)) do s = 1, phase_Nsources(p)
! --- dot state and RK dot state--- sourceState(p)%p(s)%dotState(:,c) = sourceState(p)%p(s)%dotState(:,c) &
+ A(n,stage) * sourceState(p)%p(s)%RK4dotState(n,:,c)
enddo
enddo
first3steps: if (n < 4) then sizeDotState = plasticState(p)%sizeDotState
call update_dotState(CC(n)) plasticState(p)%state(1:sizeDotState,c) = plasticState(p)%subState0(1:sizeDotState,c) &
endif first3steps + plasticState(p)%dotState (1:sizeDotState,c) &
* crystallite_subdt(g,i,e)
do s = 1, phase_Nsources(p)
sizeDotState = sourceState(p)%p(s)%sizeDotState
sourceState(p)%p(s)%state(1:sizeDotState,c) = sourceState(p)%p(s)%subState0(1:sizeDotState,c) &
+ sourceState(p)%p(s)%dotState (1:sizeDotState,c) &
* crystallite_subdt(g,i,e)
enddo
enddo call constitutive_dependentState(crystallite_partionedF(1:3,1:3,g,i,e), &
crystallite_Fp(1:3,1:3,g,i,e), &
g, i, e)
call setConvergenceFlag crystallite_todo(g,i,e) = integrateStress(g,i,e,CC(stage))
if (any(plasticState(:)%nonlocal)) call nonlocalConvergenceCheck if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
nonlocalBroken = .true.
if(.not. crystallite_todo(g,i,e)) exit
call constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
crystallite_partionedF0, &
crystallite_Fi(1:3,1:3,g,i,e), &
crystallite_partionedFp0, &
crystallite_subdt(g,i,e)*CC(stage), g,i,e)
crystallite_todo(g,i,e) = all(.not. IEEE_is_NaN(plasticState(p)%dotState(:,c)))
do s = 1, phase_Nsources(p)
crystallite_todo(g,i,e) = crystallite_todo(g,i,e) .and. all(.not. IEEE_is_NaN(sourceState(p)%p(s)%dotState(:,c)))
enddo
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
nonlocalBroken = .true.
if(.not. crystallite_todo(g,i,e)) exit
enddo
if(.not. crystallite_todo(g,i,e)) cycle
sizeDotState = plasticState(p)%sizeDotState
plasticState(p)%RK4dotState(4,:,c) = plasticState (p)%dotState(:,c)
plasticState(p)%dotState(:,c) = matmul(B,plasticState(p)%RK4dotState(1:4,1:sizeDotState,c))
plasticState(p)%state(1:sizeDotState,c) = plasticState(p)%subState0(1:sizeDotState,c) &
+ plasticState(p)%dotState (1:sizeDotState,c) &
* crystallite_subdt(g,i,e)
do s = 1, phase_Nsources(p)
sizeDotState = sourceState(p)%p(s)%sizeDotState
sourceState(p)%p(s)%RK4dotState(4,:,c) = sourceState(p)%p(s)%dotState(:,c)
sourceState(p)%p(s)%dotState(:,c) = matmul(B,sourceState(p)%p(s)%RK4dotState(1:4,1:sizeDotState,c))
sourceState(p)%p(s)%state(1:sizeDotState,c) = sourceState(p)%p(s)%subState0(1:sizeDotState,c) &
+ sourceState(p)%p(s)%dotState (1:sizeDotState,c) &
* crystallite_subdt(g,i,e)
enddo
crystallite_todo(g,i,e) = stateJump(g,i,e)
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
nonlocalBroken = .true.
if(.not. crystallite_todo(g,i,e)) cycle
call constitutive_dependentState(crystallite_partionedF(1:3,1:3,g,i,e), &
crystallite_Fp(1:3,1:3,g,i,e), &
g, i, e)
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
nonlocalBroken = .true.
if(.not. crystallite_todo(g,i,e)) cycle
crystallite_todo(g,i,e) = integrateStress(g,i,e)
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
nonlocalBroken = .true.
crystallite_converged(g,i,e) = crystallite_todo(g,i,e) ! consider converged if not broken
endif
enddo; enddo; enddo
!$OMP END PARALLEL DO
if(nonlocalBroken) where(.not. crystallite_localPlasticity) crystallite_todo = .false.
if (any(plasticState(:)%nonlocal)) call nonlocalConvergenceCheck
end subroutine integrateStateRK4 end subroutine integrateStateRK4

4
src/material.f90
View File

@ -729,7 +729,7 @@ subroutine material_allocatePlasticState(phase,NipcMyPhase,&
allocate(plasticState(phase)%previousDotState2 (sizeDotState,NipcMyPhase),source=0.0_pReal) allocate(plasticState(phase)%previousDotState2 (sizeDotState,NipcMyPhase),source=0.0_pReal)
endif endif
if (numerics_integrator == 4) & if (numerics_integrator == 4) &
allocate(plasticState(phase)%RK4dotState (sizeDotState,NipcMyPhase),source=0.0_pReal) allocate(plasticState(phase)%RK4dotState (4,sizeDotState,NipcMyPhase),source=0.0_pReal)
if (numerics_integrator == 5) & if (numerics_integrator == 5) &
allocate(plasticState(phase)%RKCK45dotState (6,sizeDotState,NipcMyPhase),source=0.0_pReal) allocate(plasticState(phase)%RKCK45dotState (6,sizeDotState,NipcMyPhase),source=0.0_pReal)
@ -767,7 +767,7 @@ subroutine material_allocateSourceState(phase,of,NipcMyPhase,&
allocate(sourceState(phase)%p(of)%previousDotState2 (sizeDotState,NipcMyPhase),source=0.0_pReal) allocate(sourceState(phase)%p(of)%previousDotState2 (sizeDotState,NipcMyPhase),source=0.0_pReal)
endif endif
if (numerics_integrator == 4) & if (numerics_integrator == 4) &
allocate(sourceState(phase)%p(of)%RK4dotState (sizeDotState,NipcMyPhase),source=0.0_pReal) allocate(sourceState(phase)%p(of)%RK4dotState (4,sizeDotState,NipcMyPhase),source=0.0_pReal)
if (numerics_integrator == 5) & if (numerics_integrator == 5) &
allocate(sourceState(phase)%p(of)%RKCK45dotState (6,sizeDotState,NipcMyPhase),source=0.0_pReal) allocate(sourceState(phase)%p(of)%RKCK45dotState (6,sizeDotState,NipcMyPhase),source=0.0_pReal)

12
src/prec.f90
View File

@ -51,10 +51,10 @@ module prec
real(pReal), allocatable, dimension(:,:) :: & real(pReal), allocatable, dimension(:,:) :: &
partionedState0, & partionedState0, &
subState0, & subState0, &
previousDotState, & !< state rate of previous xxxx previousDotState, &
previousDotState2, & !< state rate two xxxx ago previousDotState2
RK4dotState
real(pReal), allocatable, dimension(:,:,:) :: & real(pReal), allocatable, dimension(:,:,:) :: &
RK4dotState, &
RKCK45dotState RKCK45dotState
end type end type
@ -249,16 +249,16 @@ subroutine unitTest
real(pReal), dimension(2) :: r real(pReal), dimension(2) :: r
external :: & external :: &
quit quit
call random_number(r) call random_number(r)
r = r/minval(r) r = r/minval(r)
if(.not. all(dEq(r,r+PREAL_EPSILON))) call quit(9000) if(.not. all(dEq(r,r+PREAL_EPSILON))) call quit(9000)
if(dEq(r(1),r(2)) .and. dNeq(r(1),r(2))) call quit(9000) if(dEq(r(1),r(2)) .and. dNeq(r(1),r(2))) call quit(9000)
if(.not. all(dEq0(r-(r+PREAL_MIN)))) call quit(9000) if(.not. all(dEq0(r-(r+PREAL_MIN)))) call quit(9000)
realloc_lhs_test = [1,2] realloc_lhs_test = [1,2]
if (any(realloc_lhs_test/=[1,2])) call quit(9000) if (any(realloc_lhs_test/=[1,2])) call quit(9000)
end subroutine unitTest end subroutine unitTest
end module prec end module prec