From 0a6bcadafe7f2656e5539020e6c53e1480c172ff Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Wed, 23 Jan 2019 11:51:43 +0100 Subject: [PATCH] using a function for state update avoids a lot of code repetition --- src/crystallite.f90 | 238 +++++++++++--------------------------------- 1 file changed, 60 insertions(+), 178 deletions(-) diff --git a/src/crystallite.f90 b/src/crystallite.f90 index fcc985419..e1886d4db 100644 --- a/src/crystallite.f90 +++ b/src/crystallite.f90 @@ -1647,73 +1647,8 @@ subroutine integrateStateFPI() ! --- DOT STATES --- - !$OMP PARALLEL - !$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,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 - !$OMP FLUSH(crystallite_todo) - if (crystallite_todo(g,i,e)) then - p = phaseAt(g,i,e) - c = phasememberAt(g,i,e) - NaN = any(IEEE_is_NaN(plasticState(p)%dotState(:,c))) - do mySource = 1_pInt, phase_Nsources(p) - NaN = NaN .or. any(IEEE_is_NaN(sourceState(p)%p(mySource)%dotState(:,c))) - enddo - if (NaN) then ! NaN occured in any dotState -#ifdef DEBUG - if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) & - write(6,*) '<< CRYST >> dotstate ',plasticState(p)%dotState(:,c) -#endif - if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken is a non-local... - !$OMP CRITICAL (checkTodo) - crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals done (and broken) - !$OMP END CRITICAL (checkTodo) - else ! broken one was local... - crystallite_todo(g,i,e) = .false. ! ... done (and broken) - endif - endif - endif - enddo; enddo; enddo - !$OMP ENDDO - - ! --- UPDATE STATE --- -#ifdef DEBUG - if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) & - write(6,'(a,i8,a)') '<< CRYST >> ', count(crystallite_todo(:,:,:)),' grains todo after preguess of state' -#endif - - !$OMP DO PRIVATE(mySizePlasticDotState,mySizeSourceDotState,p,c) - do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains - if (crystallite_todo(g,i,e)) then - p = phaseAt(g,i,e) - c = phasememberAt(g,i,e) - mySizePlasticDotState = plasticState(p)%sizeDotState - plasticState(p)%state(1:mySizePlasticDotState,c) = & - plasticState(p)%subState0(1:mySizePlasticDotState,c) & - + plasticState(p)%dotState (1:mySizePlasticDotState,c) & - * crystallite_subdt(g,i,e) - do mySource = 1_pInt, phase_Nsources(p) - mySizeSourceDotState = sourceState(p)%p(mySource)%sizeDotState - sourceState(p)%p(mySource)%state(1:mySizeSourceDotState,c) = & - sourceState(p)%p(mySource)%subState0(1:mySizeSourceDotState,c) & - + sourceState(p)%p(mySource)%dotState (1:mySizeSourceDotState,c) & - * crystallite_subdt(g,i,e) - enddo - endif - enddo; enddo; enddo - !$OMP ENDDO - - !$OMP END PARALLEL + call update_dotState(1.0_pReal) + call update_state(1.0_pReal) ! --+>> STATE LOOP <<+-- @@ -2016,43 +1951,11 @@ eIter = FEsolving_execElem(1:2) singleRun = (eIter(1) == eIter(2) .and. iIter(1,eIter(1)) == iIter(2,eIter(2))) call update_dotState(1.0_pReal) + call update_State(1.0_pReal) !$OMP PARALLEL - ! --- UPDATE STATE --- - !$OMP DO PRIVATE(mySizePlasticDotState,mySizeSourceDotState,p,c) - do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains - if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then - p = phaseAt(g,i,e) - c = phasememberAt(g,i,e) - mySizePlasticDotState = plasticState(p)%sizeDotState - plasticState(p)%state( 1:mySizePlasticDotState,c) = & - plasticState(p)%subState0( 1:mySizePlasticDotState,c) & - + plasticState(p)%dotState(1:mySizePlasticDotState,c) & - * crystallite_subdt(g,i,e) - do mySource = 1_pInt, phase_Nsources(p) - mySizeSourceDotState = sourceState(p)%p(mySource)%sizeDotState - sourceState(p)%p(mySource)%state( 1:mySizeSourceDotState,c) = & - sourceState(p)%p(mySource)%subState0( 1:mySizeSourceDotState,c) & - + sourceState(p)%p(mySource)%dotState(1:mySizeSourceDotState,c) & - * crystallite_subdt(g,i,e) - enddo - -#ifdef DEBUG - if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt & - .and. ((e == debug_e .and. i == debug_i .and. g == debug_g) & - .or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then - p = phaseAt(g,i,e) - c = phasememberAt(g,i,e) - write(6,'(a,i8,1x,i2,1x,i3,/)') '<< CRYST >> update state at el ip g ',e,i,g - write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> dotState', plasticState(p)%dotState(1:mySizePlasticDotState,c) - write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> new state', plasticState(p)%state (1:mySizePlasticDotState,c) - endif -#endif - endif - enddo; enddo; enddo - !$OMP ENDDO ! --- STATE JUMP --- @@ -2523,42 +2426,11 @@ subroutine integrateStateRK4() endif enddo; enddo; enddo !$OMP ENDDO + !$OMP END PARALLEL - !$OMP DO PRIVATE(mySizePlasticDotState,mySizeSourceDotState,p,c) - do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains - if (crystallite_todo(g,i,e)) then - - p = phaseAt(g,i,e) - c = phasememberAt(g,i,e) - mySizePlasticDotState = plasticState(p)%sizeDotState - plasticState(p)%state (1:mySizePlasticDotState,c) = & - plasticState(p)%subState0(1:mySizePlasticDotState,c) & - + plasticState(p)%dotState (1:mySizePlasticDotState,c) & - * crystallite_subdt(g,i,e) * timeStepFraction(n) - do mySource = 1_pInt, phase_Nsources(p) - mySizeSourceDotState = sourceState(p)%p(mySource)%sizeDotState - sourceState(p)%p(mySource)%state (1:mySizeSourceDotState,c) = & - sourceState(p)%p(mySource)%subState0(1:mySizeSourceDotState,c) & - + sourceState(p)%p(mySource)%dotState (1:mySizeSourceDotState,c) & - * crystallite_subdt(g,i,e) * timeStepFraction(n) - enddo - -#ifdef DEBUG - if (n == 4 & - .and. iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt & - .and. ((e == debug_e .and. i == debug_i .and. g == debug_g) & - .or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then ! final integration step - - write(6,'(a,i8,1x,i2,1x,i3,/)') '<< CRYST >> updateState at el ip g ',e,i,g - write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> dotState', plasticState(p)%dotState(1:mySizePlasticDotState,c) - write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> new state', plasticState(p)%state(1:mySizePlasticDotState,c) - endif -#endif - endif - enddo; enddo; enddo - !$OMP ENDDO - + call update_state(TIMESTEPFRACTION(n)) + !$OMP PARALLEL ! --- state jump --- !$OMP DO @@ -2784,27 +2656,11 @@ subroutine integrateStateRKCK45() endif enddo; enddo; enddo !$OMP ENDDO + !$OMP END PARALLEL - !$OMP DO PRIVATE(mySizePlasticDotState,mySizeSourceDotState,p,cc) - do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains - if (crystallite_todo(g,i,e)) then - p = phaseAt(g,i,e) - cc = phasememberAt(g,i,e) - mySizePlasticDotState = plasticState(p)%sizeDotState - plasticState (p)%state (1:mySizePlasticDotState, cc) = & - plasticState (p)%subState0(1:mySizePlasticDotState, cc) & - + plasticState (p)%dotState (1:mySizePlasticDotState, cc) & - * crystallite_subdt(g,i,e) - do mySource = 1_pInt, phase_Nsources(p) - mySizeSourceDotState = sourceState(p)%p(mySource)%sizeDotState - sourceState(p)%p(mySource)%state (1:mySizeSourceDotState,cc) = & - sourceState(p)%p(mySource)%subState0(1:mySizeSourceDotState,cc) & - + sourceState(p)%p(mySource)%dotState (1:mySizeSourceDotState,cc) & - * crystallite_subdt(g,i,e) - enddo - endif - enddo; enddo; enddo - !$OMP ENDDO + call update_state(1.0_pReal) !MD: 1.0 correct? + + !$OMP PARALLEL ! --- state jump --- @@ -2908,31 +2764,11 @@ subroutine integrateStateRKCK45() endif enddo; enddo; enddo !$OMP ENDDO + !$OMP END PARALLEL - ! --- state and update --- - - !$OMP DO PRIVATE(mySizePlasticDotState,mySizeSourceDotState,p,cc) - 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)) then - - p = phaseAt(g,i,e) - cc = phasememberAt(g,i,e) - mySizePlasticDotState = plasticState(p)%sizeDotState - plasticState(p)%state (1:mySizePlasticDotState,cc) = & - plasticState(p)%subState0(1:mySizePlasticDotState,cc) & - + plasticState(p)%dotState (1:mySizePlasticDotState,cc) & - * crystallite_subdt(g,i,e) - do mySource = 1_pInt, phase_Nsources(p) - mySizeSourceDotState = sourceState(p)%p(mySource)%sizeDotState - sourceState(p)%p(mySource)%state (1:mySizeSourceDotState,cc) = & - sourceState(p)%p(mySource)%subState0(1:mySizeSourceDotState,cc) & - + sourceState(p)%p(mySource)%dotState (1:mySizeSourceDotState,cc)& - * crystallite_subdt(g,i,e) - enddo - endif - enddo; enddo; enddo - !$OMP ENDDO - + call update_state(1.0_pReal) + +!$OMP PARALLEL ! --- relative residui and state convergence --- !$OMP DO PRIVATE(mySizePlasticDotState,mySizeSourceDotState,p,cc,s) @@ -3055,6 +2891,52 @@ subroutine integrateStateRKCK45() end subroutine integrateStateRKCK45 +!-------------------------------------------------------------------------------------------------- +!> @brief Standard forwarding of state as state = state0 + dotState * (delta t) +!-------------------------------------------------------------------------------------------------- +subroutine update_state(timeFraction) + use material, only: & + plasticState, & + sourceState, & + phase_Nsources, & + phaseAt, phasememberAt + + implicit none + real(pReal), intent(in) :: & + timeFraction + integer(pInt) :: & + e, & !< element index in element loop + i, & !< integration point index in ip loop + g, & !< grain index in grain loop + p, & + c, & + s, & + mySize + + !$OMP PARALLEL DO PRIVATE(mySize,p,c) + 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)) + if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then + p = phaseAt(g,i,e); c = phasememberAt(g,i,e) + + mySize = plasticState(p)%sizeDotState + plasticState(p)%state(1:mySize,c) = plasticState(p)%subState0(1:mySize,c) & + + plasticState(p)%dotState (1:mySize,c) & + * crystallite_subdt(g,i,e) * timeFraction + do s = 1_pInt, phase_Nsources(p) + mySize = sourceState(p)%p(s)%sizeDotState + sourceState(p)%p(s)%state(1:mySize,c) = sourceState(p)%p(s)%subState0(1:mySize,c) & + + sourceState(p)%p(s)%dotState (1:mySize,c) & + * crystallite_subdt(g,i,e) * timeFraction + enddo + endif + enddo; enddo; enddo + !$OMP END PARALLEL DO + +end subroutine update_state + + !-------------------------------------------------------------------------------------------------- !> @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