Merge branch 'fix-RK4' into 'development'
Fix rk4 See merge request damask/DAMASK!150
This commit is contained in:
Franz Roters
commit
369682aa03
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@ -1346,55 +1346,151 @@ end subroutine integrateStateAdaptiveEuler
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!--------------------------------------------------------------------------------------------------
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subroutine integrateStateRK4
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real(pReal), dimension(3,3), parameter :: &
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A = reshape([&
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0.5_pReal, 0.0_pReal, 0.0_pReal, &
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0.0_pReal, 0.5_pReal, 0.0_pReal, &
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0.0_pReal, 0.0_pReal, 1.0_pReal], &
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[3,3])
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real(pReal), dimension(3), parameter :: &
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CC = [0.5_pReal, 0.5_pReal, 1.0_pReal] ! factor giving the fraction of the original timestep used for Runge Kutta Integration
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real(pReal), dimension(4), parameter :: &
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TIMESTEPFRACTION = [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
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real(pReal), dimension(4), parameter :: &
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WEIGHT = [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)
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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)
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integer :: e, & ! element index in element loop
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i, & ! integration point index in ip loop
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g, & ! grain index in grain loop
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p, & ! phase loop
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c, &
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n, &
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s
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integer :: &
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e, & ! element index in element loop
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i, & ! integration point index in ip loop
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g, & ! grain index in grain loop
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stage, & ! stage index in integration stage loop
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n, &
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p, &
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c, &
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s, &
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sizeDotState
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logical :: &
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nonlocalBroken
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call update_dotState(1.0_pReal)
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nonlocalBroken = .false.
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!$OMP PARALLEL DO PRIVATE(sizeDotState,p,c)
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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do i = FEsolving_execIP(1),FEsolving_execIP(2)
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do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
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if(crystallite_todo(g,i,e) .and. (.not. nonlocalBroken .or. crystallite_localPlasticity(g,i,e)) ) then
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p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e)
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do n = 1,4
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call constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
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crystallite_partionedF0, &
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crystallite_Fi(1:3,1:3,g,i,e), &
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crystallite_partionedFp0, &
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crystallite_subdt(g,i,e), g,i,e)
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crystallite_todo(g,i,e) = all(.not. IEEE_is_NaN(plasticState(p)%dotState(:,c)))
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do s = 1, phase_Nsources(p)
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crystallite_todo(g,i,e) = crystallite_todo(g,i,e) .and. all(.not. IEEE_is_NaN(sourceState(p)%p(s)%dotState(:,c)))
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enddo
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if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
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nonlocalBroken = .true.
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if(.not. crystallite_todo(g,i,e)) cycle
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!$OMP PARALLEL DO PRIVATE(p,c)
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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do i = FEsolving_execIP(1),FEsolving_execIP(2)
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do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
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if (crystallite_todo(g,i,e)) then
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p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e)
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do stage = 1,3
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plasticState(p)%RK4dotState(:,c) = WEIGHT(n)*plasticState(p)%dotState(:,c) &
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+ merge(plasticState(p)%RK4dotState(:,c),0.0_pReal,n>1)
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do s = 1, phase_Nsources(p)
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sourceState(p)%p(s)%RK4dotState(:,c) = WEIGHT(n)*sourceState(p)%p(s)%dotState(:,c) &
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+ merge(sourceState(p)%p(s)%RK4dotState(:,c),0.0_pReal,n>1)
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enddo
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endif
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enddo; enddo; enddo
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!$OMP END PARALLEL DO
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plasticState(p)%RK4dotState(stage,:,c) = plasticState(p)%dotState(:,c)
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plasticState(p)%dotState(:,c) = A(1,stage) * plasticState(p)%RK4dotState(1,:,c)
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do s = 1, phase_Nsources(p)
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sourceState(p)%p(s)%RK4dotState(stage,:,c) = sourceState(p)%p(s)%dotState(:,c)
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sourceState(p)%p(s)%dotState(:,c) = A(1,stage) * sourceState(p)%p(s)%RK4dotState(1,:,c)
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enddo
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call update_state(TIMESTEPFRACTION(n))
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call update_deltaState
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call update_dependentState
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call update_stress(TIMESTEPFRACTION(n))
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! --- dot state and RK dot state---
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do n = 2, stage
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plasticState(p)%dotState(:,c) = plasticState(p)%dotState(:,c) &
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+ A(n,stage) * plasticState(p)%RK4dotState(n,:,c)
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do s = 1, phase_Nsources(p)
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sourceState(p)%p(s)%dotState(:,c) = sourceState(p)%p(s)%dotState(:,c) &
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+ A(n,stage) * sourceState(p)%p(s)%RK4dotState(n,:,c)
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enddo
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enddo
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first3steps: if (n < 4) then
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call update_dotState(TIMESTEPFRACTION(n))
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endif first3steps
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sizeDotState = plasticState(p)%sizeDotState
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plasticState(p)%state(1:sizeDotState,c) = plasticState(p)%subState0(1:sizeDotState,c) &
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+ plasticState(p)%dotState (1:sizeDotState,c) &
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* crystallite_subdt(g,i,e)
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do s = 1, phase_Nsources(p)
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sizeDotState = sourceState(p)%p(s)%sizeDotState
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sourceState(p)%p(s)%state(1:sizeDotState,c) = sourceState(p)%p(s)%subState0(1:sizeDotState,c) &
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+ sourceState(p)%p(s)%dotState (1:sizeDotState,c) &
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* crystallite_subdt(g,i,e)
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enddo
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enddo
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call constitutive_dependentState(crystallite_partionedF(1:3,1:3,g,i,e), &
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crystallite_Fp(1:3,1:3,g,i,e), &
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g, i, e)
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call setConvergenceFlag
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if (any(plasticState(:)%nonlocal)) call nonlocalConvergenceCheck
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crystallite_todo(g,i,e) = integrateStress(g,i,e,CC(stage))
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if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
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nonlocalBroken = .true.
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if(.not. crystallite_todo(g,i,e)) exit
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call constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
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crystallite_partionedF0, &
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crystallite_Fi(1:3,1:3,g,i,e), &
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crystallite_partionedFp0, &
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crystallite_subdt(g,i,e)*CC(stage), g,i,e)
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crystallite_todo(g,i,e) = all(.not. IEEE_is_NaN(plasticState(p)%dotState(:,c)))
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do s = 1, phase_Nsources(p)
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crystallite_todo(g,i,e) = crystallite_todo(g,i,e) .and. all(.not. IEEE_is_NaN(sourceState(p)%p(s)%dotState(:,c)))
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enddo
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if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
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nonlocalBroken = .true.
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if(.not. crystallite_todo(g,i,e)) exit
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enddo
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if(.not. crystallite_todo(g,i,e)) cycle
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sizeDotState = plasticState(p)%sizeDotState
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plasticState(p)%RK4dotState(4,:,c) = plasticState (p)%dotState(:,c)
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plasticState(p)%dotState(:,c) = matmul(B,plasticState(p)%RK4dotState(1:4,1:sizeDotState,c))
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plasticState(p)%state(1:sizeDotState,c) = plasticState(p)%subState0(1:sizeDotState,c) &
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+ plasticState(p)%dotState (1:sizeDotState,c) &
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* crystallite_subdt(g,i,e)
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do s = 1, phase_Nsources(p)
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sizeDotState = sourceState(p)%p(s)%sizeDotState
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sourceState(p)%p(s)%RK4dotState(4,:,c) = sourceState(p)%p(s)%dotState(:,c)
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sourceState(p)%p(s)%dotState(:,c) = matmul(B,sourceState(p)%p(s)%RK4dotState(1:4,1:sizeDotState,c))
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sourceState(p)%p(s)%state(1:sizeDotState,c) = sourceState(p)%p(s)%subState0(1:sizeDotState,c) &
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+ sourceState(p)%p(s)%dotState (1:sizeDotState,c) &
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* crystallite_subdt(g,i,e)
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enddo
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crystallite_todo(g,i,e) = stateJump(g,i,e)
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if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
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nonlocalBroken = .true.
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if(.not. crystallite_todo(g,i,e)) cycle
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call constitutive_dependentState(crystallite_partionedF(1:3,1:3,g,i,e), &
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crystallite_Fp(1:3,1:3,g,i,e), &
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g, i, e)
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if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
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nonlocalBroken = .true.
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if(.not. crystallite_todo(g,i,e)) cycle
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crystallite_todo(g,i,e) = integrateStress(g,i,e)
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if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
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nonlocalBroken = .true.
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crystallite_converged(g,i,e) = crystallite_todo(g,i,e) ! consider converged if not broken
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endif
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enddo; enddo; enddo
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!$OMP END PARALLEL DO
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if(nonlocalBroken) where(.not. crystallite_localPlasticity) crystallite_todo = .false.
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if (any(plasticState(:)%nonlocal)) call nonlocalConvergenceCheck
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end subroutine integrateStateRK4
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@ -1619,10 +1715,10 @@ subroutine setConvergenceFlag
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end subroutine setConvergenceFlag
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!--------------------------------------------------------------------------------------------------
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!> @brief determines whether a point is converged
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!--------------------------------------------------------------------------------------------------
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logical pure function converged(residuum,state,atol)
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!--------------------------------------------------------------------------------------------------
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!> @brief determines whether a point is converged
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!--------------------------------------------------------------------------------------------------
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logical pure function converged(residuum,state,atol)
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real(pReal), intent(in), dimension(:) ::&
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residuum, state, atol
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@ -1633,62 +1729,7 @@ end subroutine setConvergenceFlag
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converged = all(abs(residuum) <= max(atol, rtol*abs(state)))
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end function converged
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!--------------------------------------------------------------------------------------------------
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!> @brief Standard forwarding of state as state = state0 + dotState * (delta t) comment seems wrong!
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!--------------------------------------------------------------------------------------------------
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subroutine update_stress(timeFraction)
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real(pReal), intent(in) :: &
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timeFraction
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integer :: &
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e, & !< element index in element loop
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i, & !< integration point index in ip loop
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g
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logical :: &
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nonlocalBroken
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nonlocalBroken = .false.
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!$OMP PARALLEL DO
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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do i = FEsolving_execIP(1),FEsolving_execIP(2)
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do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
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if(crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e) .and. &
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(.not. nonlocalBroken .or. crystallite_localPlasticity(g,i,e)) ) then
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crystallite_todo(g,i,e) = integrateStress(g,i,e,timeFraction)
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if (.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
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nonlocalBroken = .true.
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endif
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enddo; enddo; enddo
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!$OMP END PARALLEL DO
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if(nonlocalBroken) where(.not. crystallite_localPlasticity) crystallite_todo = .false.
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end subroutine update_stress
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!--------------------------------------------------------------------------------------------------
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!> @brief tbd
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!--------------------------------------------------------------------------------------------------
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subroutine update_dependentState
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integer :: e, & ! element index in element loop
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i, & ! integration point index in ip loop
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g ! grain index in grain loop
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!$OMP PARALLEL DO
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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do i = FEsolving_execIP(1),FEsolving_execIP(2)
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do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
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if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) &
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call constitutive_dependentState(crystallite_partionedF(1:3,1:3,g,i,e), &
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crystallite_Fp(1:3,1:3,g,i,e), &
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g, i, e)
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enddo; enddo; enddo
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!$OMP END PARALLEL DO
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end subroutine update_dependentState
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end function converged
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!--------------------------------------------------------------------------------------------------
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@ -1777,71 +1818,6 @@ subroutine update_dotState(timeFraction)
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end subroutine update_DotState
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!---------------------------------------------------------------------------------------------------
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!> @brief Trigger calculation of all new sudden state change
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!> if NaN occurs, crystallite_todo is set to FALSE. Any NaN in a nonlocal propagates to all others
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!---------------------------------------------------------------------------------------------------
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subroutine update_deltaState
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integer :: &
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e, & !< element index in element loop
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i, & !< integration point index in ip loop
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g, & !< grain index in grain loop
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p, &
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mySize, &
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myOffset, &
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c, &
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s
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logical :: &
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NaN, &
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nonlocalStop
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nonlocalStop = .false.
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!$OMP PARALLEL DO PRIVATE(p,c,myOffset,mySize,NaN)
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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do i = FEsolving_execIP(1),FEsolving_execIP(2)
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do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
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!$OMP FLUSH(nonlocalStop)
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if ((crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) .and. .not. nonlocalStop) then
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call constitutive_collectDeltaState(crystallite_S(1:3,1:3,g,i,e), &
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crystallite_Fe(1:3,1:3,g,i,e), &
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crystallite_Fi(1:3,1:3,g,i,e), &
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g,i,e)
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p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e)
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myOffset = plasticState(p)%offsetDeltaState
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mySize = plasticState(p)%sizeDeltaState
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NaN = any(IEEE_is_NaN(plasticState(p)%deltaState(1:mySize,c)))
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if (.not. NaN) then
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plasticState(p)%state(myOffset + 1: myOffset + mySize,c) = &
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plasticState(p)%state(myOffset + 1: myOffset + mySize,c) + plasticState(p)%deltaState(1:mySize,c)
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do s = 1, phase_Nsources(p)
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myOffset = sourceState(p)%p(s)%offsetDeltaState
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mySize = sourceState(p)%p(s)%sizeDeltaState
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NaN = NaN .or. any(IEEE_is_NaN(sourceState(p)%p(s)%deltaState(1:mySize,c)))
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if (.not. NaN) then
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sourceState(p)%p(s)%state(myOffset + 1:myOffset + mySize,c) = &
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sourceState(p)%p(s)%state(myOffset + 1:myOffset + mySize,c) + sourceState(p)%p(s)%deltaState(1:mySize,c)
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endif
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enddo
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endif
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crystallite_todo(g,i,e) = .not. NaN
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if (.not. crystallite_todo(g,i,e)) then ! if state jump fails, then convergence is broken
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crystallite_converged(g,i,e) = .false.
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if (.not. crystallite_localPlasticity(g,i,e)) nonlocalStop = .true.
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endif
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endif
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enddo; enddo; enddo
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!$OMP END PARALLEL DO
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if (nonlocalStop) crystallite_todo = crystallite_todo .and. crystallite_localPlasticity
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end subroutine update_deltaState
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!--------------------------------------------------------------------------------------------------
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!> @brief calculates a jump in the state according to the current state and the current stress
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!> returns true, if state jump was successfull or not needed. false indicates NaN in delta state
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@ -729,7 +729,7 @@ subroutine material_allocatePlasticState(phase,NipcMyPhase,&
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allocate(plasticState(phase)%previousDotState2 (sizeDotState,NipcMyPhase),source=0.0_pReal)
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endif
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if (numerics_integrator == 4) &
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allocate(plasticState(phase)%RK4dotState (sizeDotState,NipcMyPhase),source=0.0_pReal)
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allocate(plasticState(phase)%RK4dotState (4,sizeDotState,NipcMyPhase),source=0.0_pReal)
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if (numerics_integrator == 5) &
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allocate(plasticState(phase)%RKCK45dotState (6,sizeDotState,NipcMyPhase),source=0.0_pReal)
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@ -767,7 +767,7 @@ subroutine material_allocateSourceState(phase,of,NipcMyPhase,&
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allocate(sourceState(phase)%p(of)%previousDotState2 (sizeDotState,NipcMyPhase),source=0.0_pReal)
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endif
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if (numerics_integrator == 4) &
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allocate(sourceState(phase)%p(of)%RK4dotState (sizeDotState,NipcMyPhase),source=0.0_pReal)
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allocate(sourceState(phase)%p(of)%RK4dotState (4,sizeDotState,NipcMyPhase),source=0.0_pReal)
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if (numerics_integrator == 5) &
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allocate(sourceState(phase)%p(of)%RKCK45dotState (6,sizeDotState,NipcMyPhase),source=0.0_pReal)
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@ -51,10 +51,10 @@ module prec
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real(pReal), allocatable, dimension(:,:) :: &
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partionedState0, &
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subState0, &
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previousDotState, & !< state rate of previous xxxx
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previousDotState2, & !< state rate two xxxx ago
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RK4dotState
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previousDotState, &
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previousDotState2
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real(pReal), allocatable, dimension(:,:,:) :: &
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RK4dotState, &
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RKCK45dotState
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end type
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|
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Reference in New Issue