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* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation) 

* in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
This commit is contained in:
Christoph Kords 2010-10-26 14:04:33 +00:00
parent 4439282239
commit f5f3ef5ecc
1 changed files with 82 additions and 83 deletions
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165
code/crystallite.f90
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@ -563,7 +563,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
crystallite_Lp(:,:,g,i,e) = crystallite_subLp0(:,:,g,i,e) ! ...plastic velocity grad crystallite_Lp(:,:,g,i,e) = crystallite_subLp0(:,:,g,i,e) ! ...plastic velocity grad
constitutive_state(g,i,e)%p = constitutive_subState0(g,i,e)%p ! ...microstructure constitutive_state(g,i,e)%p = constitutive_subState0(g,i,e)%p ! ...microstructure
crystallite_Tstar_v(:,g,i,e) = crystallite_subTstar0_v(:,g,i,e) ! ...2nd PK stress crystallite_Tstar_v(:,g,i,e) = crystallite_subTstar0_v(:,g,i,e) ! ...2nd PK stress
! can<EFBFBD>t restore dotState here, since not yet calculated in first cutback after initialization ! cant restore dotState here, since not yet calculated in first cutback after initialization
if (debugger .and. selectiveDebugger) then if (debugger .and. selectiveDebugger) then
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write(6,'(a78,f10.8)') 'cutback step in crystallite_stressAndItsTangent with new crystallite_subStep: ',& write(6,'(a78,f10.8)') 'cutback step in crystallite_stressAndItsTangent with new crystallite_subStep: ',&
@ -627,14 +627,14 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
math_Mandel33to6( math_mul33x33(transpose(Fe_guess),Fe_guess) - math_I3 ) ) ) math_Mandel33to6( math_mul33x33(transpose(Fe_guess),Fe_guess) - math_I3 ) ) )
crystallite_P(:,:,g,i,e) = math_mul33x33(Fe_guess,math_mul33x33(Tstar,transpose(invFp))) crystallite_P(:,:,g,i,e) = math_mul33x33(Fe_guess,math_mul33x33(Tstar,transpose(invFp)))
endif endif
if (verboseDebugger .and. selectiveDebugger) then if (debugger .and. selectiveDebugger) then
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write (6,*) '#############' write (6,*) '#############'
write (6,*) 'central solution of cryst_StressAndTangent' write (6,*) 'central solution of cryst_StressAndTangent'
write (6,*) '#############' write (6,*) '#############'
write (6,'(a8,3(x,i4),/,3(3(f12.4,x)/))') ' P of', g, i, e, P_backup(1:3,:,g,i,e)/1e6 write (6,'(a8,3(x,i4),/,3(3(f12.4,x)/))') ' P of', g, i, e, crystallite_P(1:3,:,g,i,e)/1e6
write (6,'(a8,3(x,i4),/,3(3(f14.9,x)/))') ' Fp of', g, i, e, Fp_backup(1:3,:,g,i,e) write (6,'(a8,3(x,i4),/,3(3(f14.9,x)/))') ' Fp of', g, i, e, crystallite_Fp(1:3,:,g,i,e)
write (6,'(a8,3(x,i4),/,3(3(f14.9,x)/))') ' Lp of', g, i, e, Lp_backup(1:3,:,g,i,e) write (6,'(a8,3(x,i4),/,3(3(f14.9,x)/))') ' Lp of', g, i, e, crystallite_Lp(1:3,:,g,i,e)
!$OMPEND CRITICAL (write2out) !$OMPEND CRITICAL (write2out)
endif endif
enddo enddo
@ -801,7 +801,7 @@ use constitutive, only: constitutive_sizeDotState, &
implicit none implicit none
real(pReal), dimension(4), parameter :: timeStepFraction = (/0.5_pReal, 0.5_pReal, 1.0_pReal, 1.0_pReal/) ! weight of slope used for Runge Kutta integration real(pReal), dimension(4), parameter :: timeStepFraction = (/0.5_pReal, 0.5_pReal, 1.0_pReal, 1.0_pReal/) ! weight of slope used for Runge Kutta integration
real(pReal), dimension(3), parameter :: weight = (/2.0_pReal, 2.0_pReal, 1.0_pReal/) ! factor giving the fraction of the original timestep used for Runge Kutta Integration real(pReal), dimension(4), parameter :: weight = (/1.0_pReal, 2.0_pReal, 2.0_pReal, 1.0_pReal/) ! factor giving the fraction of the original timestep used for Runge Kutta Integration
!*** input variables ***! !*** input variables ***!
integer(pInt), intent(in) :: mode ! mode of calculation; 1: central solution, 2: stiffness (by perturbation) integer(pInt), intent(in) :: mode ! mode of calculation; 1: central solution, 2: stiffness (by perturbation)
@ -840,24 +840,21 @@ else
endif endif
! --- UPDATE DEPENDENT STATES --- ! --- RESET DOTSTATE TO ZERO ---
!$OMP PARALLEL DO !$OMP PARALLEL 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 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 constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero
selectiveDebugger = (e == debug_e .and. i == debug_i .and. g == debug_g)
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), crystallite_Fe, &
crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
endif
enddo; enddo; enddo enddo; enddo; enddo
!$OMPEND PARALLEL DO !$OMPEND PARALLEL DO
! --- FIRST RUNGE KUTTA STEP --- ! --- FIRST RUNGE KUTTA STEP ---
RK4dotTemperature = 0.0_pReal RK4dotTemperature = 0.0_pReal ! initialize Runge-Kutta dotTemperature
!$OMP PARALLEL DO !$OMP PARALLEL 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 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
constitutive_RK4dotState(g,i,e)%p = 0.0_pReal ! initialize Runge-Kutta dotState
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
selectiveDebugger = (e == debug_e .and. i == debug_i .and. g == debug_g) selectiveDebugger = (e == debug_e .and. i == debug_i .and. g == debug_g)
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, & call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, &
@ -874,9 +871,6 @@ RK4dotTemperature = 0.0_pReal
else ! if broken local... else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif endif
else ! everything is fine
constitutive_RK4dotState(g,i,e)%p = constitutive_dotState(g,i,e)%p ! initial contribution to RK slope
RK4dotTemperature(g,i,e) = crystallite_dotTemperature(g,i,e)
endif endif
endif endif
enddo; enddo; enddo enddo; enddo; enddo
@ -887,13 +881,17 @@ RK4dotTemperature = 0.0_pReal
do n = 1,4 do n = 1,4
! --- state update --- ! --- state update ---
!$OMP PARALLEL DO !$OMP PARALLEL 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 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 if (crystallite_todo(g,i,e)) then
mySizeDotState = constitutive_sizeDotState(g,i,e) mySizeDotState = constitutive_sizeDotState(g,i,e)
constitutive_RK4dotState(g,i,e)%p = constitutive_RK4dotState(g,i,e)%p + weight(n)*constitutive_dotState(g,i,e)%p
RK4dotTemperature(g,i,e) = RK4dotTemperature(g,i,e) + weight(n)*crystallite_dotTemperature(g,i,e)
if (n == 4) then
constitutive_dotState(g,i,e)%p = constitutive_RK4dotState(g,i,e)%p / 6.0_pReal ! use weighted RKdotState for final integration
endif
constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_subState0(g,i,e)%p(1:mySizeDotState) & constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_subState0(g,i,e)%p(1:mySizeDotState) &
+ constitutive_dotState(g,i,e)%p(1:mySizeDotState) * crystallite_subdt(g,i,e) * timeStepFraction(n) + constitutive_dotState(g,i,e)%p(1:mySizeDotState) * crystallite_subdt(g,i,e) * timeStepFraction(n)
crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) & crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) &
@ -912,7 +910,7 @@ do n = 1,4
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), & call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), &
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
endif endif
enddo; enddo; enddo enddo; enddo; enddo
!$OMPEND PARALLEL DO !$OMPEND PARALLEL DO
@ -951,6 +949,7 @@ do n = 1,4
endif endif
endif endif
endif endif
constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero
enddo; enddo; enddo enddo; enddo; enddo
!$OMPEND PARALLEL DO !$OMPEND PARALLEL DO
@ -977,12 +976,6 @@ do n = 1,4
else ! if broken local... else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif endif
else ! everything is fine
constitutive_RK4dotState(g,i,e)%p = constitutive_RK4dotState(g,i,e)%p + weight(n)*constitutive_dotState(g,i,e)%p
RK4dotTemperature(g,i,e) = RK4dotTemperature(g,i,e) + weight(n)*crystallite_dotTemperature(g,i,e)
if (n == 3) then
constitutive_dotState(g,i,e)%p = constitutive_RK4dotState(g,i,e)%p / 6.0_pReal ! use weighted RKdotState for final integration
endif
endif endif
endif endif
enddo; enddo; enddo enddo; enddo; enddo
@ -1027,7 +1020,8 @@ use numerics, only: rTol_crystalliteState, &
subStepSizeCryst, & subStepSizeCryst, &
stepIncreaseCryst stepIncreaseCryst
use FEsolving, only: FEsolving_execElem, & use FEsolving, only: FEsolving_execElem, &
FEsolving_execIP FEsolving_execIP, &
theInc
use mesh, only: mesh_element, & use mesh, only: mesh_element, &
mesh_NcpElems, & mesh_NcpElems, &
mesh_maxNips mesh_maxNips
@ -1138,15 +1132,12 @@ else
endif endif
! --- UPDATE DEPENDENT STATES --- ! --- RESET DOTSTATE TO ZERO ---
!$OMP PARALLEL DO !$OMP PARALLEL 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 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 constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), & enddo; enddo; enddo
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
endif
enddo; enddo; enddo
!$OMPEND PARALLEL DO !$OMPEND PARALLEL DO
@ -1170,9 +1161,6 @@ endif
else ! if broken local... else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif endif
else ! everything is fine
constitutive_RKCK45dotState(1,g,i,e)%p = constitutive_dotState(g,i,e)%p ! initial contribution to RK slope
RKCK45dotTemperature(1,g,i,e) = crystallite_dotTemperature(g,i,e)
endif endif
endif endif
enddo; enddo; enddo enddo; enddo; enddo
@ -1190,9 +1178,11 @@ do n = 1,5
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 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 if (crystallite_todo(g,i,e)) then
sizeDotState = constitutive_sizeDotState(g,i,e) sizeDotState = constitutive_sizeDotState(g,i,e)
constitutive_dotState(g,i,e)%p = 0.0_pReal constitutive_RKCK45dotState(n,g,i,e)%p = constitutive_dotState(g,i,e)%p ! store Runge-Kutta dotState
crystallite_dotTemperature(g,i,e) = 0.0_pReal RKCK45dotTemperature(n,g,i,e) = crystallite_dotTemperature(g,i,e) ! store Runge-Kutta dotTemperature
do j = 1,n constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState
crystallite_dotTemperature(g,i,e) = 0.0_pReal ! reset dotTemperature
do j = 1,n ! rates as combination of Runge-Kutta rates
constitutive_dotState(g,i,e)%p = constitutive_dotState(g,i,e)%p + a(j,n) * constitutive_RKCK45dotState(j,g,i,e)%p constitutive_dotState(g,i,e)%p = constitutive_dotState(g,i,e)%p + a(j,n) * constitutive_RKCK45dotState(j,g,i,e)%p
crystallite_dotTemperature(g,i,e) = crystallite_dotTemperature(g,i,e) + a(j,n) * RKCK45dotTemperature(j,g,i,e) crystallite_dotTemperature(g,i,e) = crystallite_dotTemperature(g,i,e) + a(j,n) * RKCK45dotTemperature(j,g,i,e)
enddo enddo
@ -1213,7 +1203,8 @@ do n = 1,5
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), & call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), &
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
endif endif
enddo; enddo; enddo constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero
enddo; enddo; enddo
!$OMPEND PARALLEL DO !$OMPEND PARALLEL DO
@ -1258,9 +1249,6 @@ do n = 1,5
else ! if broken local... else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif endif
else ! everything is fine
constitutive_RKCK45dotState(n+1,g,i,e)%p = constitutive_dotState(g,i,e)%p
RKCK45dotTemperature(n+1,g,i,e) = crystallite_dotTemperature(g,i,e)
endif endif
endif endif
enddo; enddo; enddo enddo; enddo; enddo
@ -1308,24 +1296,26 @@ relTemperatureResiduum = 0.0_pReal
crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) & crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) &
+ crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e) + crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e)
forall (s = 1:sizeDotState, abs(constitutive_state(g,i,e)%p(s)) > 0.0_pReal) & forall (s = 1:sizeDotState, abs(constitutive_state(g,i,e)%p(s)) > 0.0_pReal) &
relStateResiduum(s,g,i,e) = abs(stateResiduum(s,g,i,e)) / constitutive_state(g,i,e)%p(s) relStateResiduum(s,g,i,e) = stateResiduum(s,g,i,e) / constitutive_state(g,i,e)%p(s)
if (crystallite_Temperature(g,i,e) > 0) & if (crystallite_Temperature(g,i,e) > 0) &
relTemperatureResiduum(g,i,e) = abs(temperatureResiduum(g,i,e)) / crystallite_Temperature(g,i,e) relTemperatureResiduum(g,i,e) = temperatureResiduum(g,i,e) / crystallite_Temperature(g,i,e)
! --- state convergence --- ! --- state convergence ---
crystallite_todo(g,i,e) = (all( relStateResiduum(:,g,i,e) < rTol_crystalliteState & crystallite_todo(g,i,e) = &
.or. abs(stateResiduum(1:sizeDotState,g,i,e)) < constitutive_aTolState(g,i,e)%p(1:sizeDotState))& ( all( abs(relStateResiduum(:,g,i,e)) < rTol_crystalliteState &
.and. relTemperatureResiduum(g,i,e) < rTol_crystalliteTemperature ) .or. abs(stateResiduum(1:sizeDotState,g,i,e)) < constitutive_aTolState(g,i,e)%p(1:sizeDotState) ) &
.and. abs(relTemperatureResiduum(g,i,e)) < rTol_crystalliteTemperature )
if (verboseDebugger .and. selectiveDebugger) then if (verboseDebugger .and. selectiveDebugger) then
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write(6,*) '::: updateState',g,i,e write(6,*) '::: updateState',g,i,e
write(6,*) write(6,*)
write(6,'(a,/,12(f12.1,x))') 'updateState: absolute residuum', stateResiduum(1:sizeDotState,g,i,e) write(6,'(a,/,12(f12.1,x))') 'updateState: absolute residuum tolerance', stateResiduum(1:sizeDotState,g,i,e) &
/ constitutive_aTolState(g,i,e)%p(1:sizeDotState)
write(6,*) write(6,*)
write(6,'(a,/,12(f12.1,x))') 'updateState: resid tolerance',relStateResiduum(1:sizeDotState,g,i,e) / rTol_crystalliteState write(6,'(a,/,12(f12.1,x))') 'updateState: relative residuum tolerance', relStateResiduum(1:sizeDotState,g,i,e) &
/ rTol_crystalliteState
write(6,*) write(6,*)
! write(6,'(a)') 'updateState: RKCK45dotState' ! write(6,'(a)') 'updateState: RKCK45dotState'
! do j = 1,6 ! do j = 1,6
@ -1479,14 +1469,11 @@ else
endif endif
! --- UPDATE DEPENDENT STATES (EULER INTEGRATION) --- ! --- RESET DOTSTATE TO ZERO ---
!$OMP PARALLEL DO !$OMP PARALLEL 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 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 constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), &
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
endif
enddo; enddo; enddo enddo; enddo; enddo
!$OMPEND PARALLEL DO !$OMPEND PARALLEL DO
@ -1515,9 +1502,6 @@ stateResiduum = 0.0_pReal
else ! if broken local... else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif endif
else
stateResiduum(1:sizeDotState,g,i,e) = - 0.5_pReal * constitutive_dotState(g,i,e)%p * crystallite_subdt(g,i,e) ! contribution to absolute residuum in state and temperature
temperatureResiduum(g,i,e) = - 0.5_pReal * crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e)
endif endif
endif endif
enddo; enddo; enddo enddo; enddo; enddo
@ -1527,9 +1511,11 @@ stateResiduum = 0.0_pReal
! --- STATE UPDATE (EULER INTEGRATION) --- ! --- STATE UPDATE (EULER INTEGRATION) ---
!$OMP PARALLEL DO !$OMP PARALLEL 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 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 if (crystallite_todo(g,i,e)) then
sizeDotState = constitutive_sizeDotState(g,i,e) sizeDotState = constitutive_sizeDotState(g,i,e)
stateResiduum(1:sizeDotState,g,i,e) = - 0.5_pReal * constitutive_dotState(g,i,e)%p * crystallite_subdt(g,i,e) ! contribution to absolute residuum in state and temperature
temperatureResiduum(g,i,e) = - 0.5_pReal * crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e)
constitutive_state(g,i,e)%p(1:sizeDotState) = constitutive_subState0(g,i,e)%p(1:sizeDotState) & constitutive_state(g,i,e)%p(1:sizeDotState) = constitutive_subState0(g,i,e)%p(1:sizeDotState) &
+ constitutive_dotState(g,i,e)%p(1:sizeDotState) * crystallite_subdt(g,i,e) + constitutive_dotState(g,i,e)%p(1:sizeDotState) * crystallite_subdt(g,i,e)
crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) & crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) &
@ -1542,11 +1528,12 @@ stateResiduum = 0.0_pReal
! --- UPDATE DEPENDENT STATES (EULER INTEGRATION) --- ! --- UPDATE DEPENDENT STATES (EULER INTEGRATION) ---
!$OMP PARALLEL DO !$OMP PARALLEL 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 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 if (crystallite_todo(g,i,e)) then
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), & call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), &
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
endif endif
constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero
enddo; enddo; enddo enddo; enddo; enddo
!$OMPEND PARALLEL DO !$OMPEND PARALLEL DO
@ -1619,17 +1606,19 @@ relTemperatureResiduum = 0.0_pReal
! --- relative residui --- ! --- relative residui ---
forall (s = 1:sizeDotState, abs(constitutive_state(g,i,e)%p(s)) > 0.0_pReal) & forall (s = 1:sizeDotState, abs(constitutive_state(g,i,e)%p(s)) > 0.0_pReal) &
relStateResiduum(s,g,i,e) = abs(stateResiduum(s,g,i,e)) / constitutive_state(g,i,e)%p(s) relStateResiduum(s,g,i,e) = stateResiduum(s,g,i,e) / constitutive_state(g,i,e)%p(s)
if (crystallite_Temperature(g,i,e) > 0) & if (crystallite_Temperature(g,i,e) > 0) &
relTemperatureResiduum(g,i,e) = abs(temperatureResiduum(g,i,e)) / crystallite_Temperature(g,i,e) relTemperatureResiduum(g,i,e) = temperatureResiduum(g,i,e) / crystallite_Temperature(g,i,e)
if (verboseDebugger .and. selectiveDebugger) then if (verboseDebugger .and. selectiveDebugger) then
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write(6,*) '::: updateState',g,i,e write(6,*) '::: updateState',g,i,e
write(6,*) write(6,*)
write(6,'(a,/,12(f12.1,x))') 'updateState: absolute residuum', stateResiduum(1:sizeDotState,g,i,e) write(6,'(a,/,12(f12.1,x))') 'updateState: absolute residuum tolerance', stateResiduum(1:sizeDotState,g,i,e) &
/ constitutive_aTolState(g,i,e)%p(1:sizeDotState)
write(6,*) write(6,*)
write(6,'(a,/,12(f12.1,x))') 'updateState: resid tolerance',relStateResiduum(1:sizeDotState,g,i,e) / rTol_crystalliteState write(6,'(a,/,12(f12.1,x))') 'updateState: relative residuum tolerance', relStateResiduum(1:sizeDotState,g,i,e) &
/ rTol_crystalliteState
write(6,*) write(6,*)
write(6,'(a,/,12(e12.5,x))') 'updateState: dotState', constitutive_dotState(g,i,e)%p(1:sizeDotState) & write(6,'(a,/,12(e12.5,x))') 'updateState: dotState', constitutive_dotState(g,i,e)%p(1:sizeDotState) &
- 2.0_pReal * stateResiduum(1:sizeDotState,g,i,e) / crystallite_subdt(g,i,e) ! calculate former dotstate from higher order solution and state residuum - 2.0_pReal * stateResiduum(1:sizeDotState,g,i,e) / crystallite_subdt(g,i,e) ! calculate former dotstate from higher order solution and state residuum
@ -1642,9 +1631,9 @@ relTemperatureResiduum = 0.0_pReal
! --- converged ? --- ! --- converged ? ---
if ( all( relStateResiduum(:,g,i,e) < rTol_crystalliteState & if ( all( abs(relStateResiduum(:,g,i,e)) < rTol_crystalliteState &
.or. abs(stateResiduum(1:sizeDotState,g,i,e)) < constitutive_aTolState(g,i,e)%p(1:sizeDotState)) & .or. abs(stateResiduum(1:sizeDotState,g,i,e)) < constitutive_aTolState(g,i,e)%p(1:sizeDotState)) &
.and. relTemperatureResiduum(g,i,e) < rTol_crystalliteTemperature ) then .and. abs(relTemperatureResiduum(g,i,e)) < rTol_crystalliteTemperature ) then
crystallite_converged(g,i,e) = .true. ! ... converged per definitionem crystallite_converged(g,i,e) = .true. ! ... converged per definitionem
crystallite_todo(g,i,e) = .false. ! ... integration done crystallite_todo(g,i,e) = .false. ! ... integration done
@ -1738,15 +1727,11 @@ else
endif endif
! --- UPDATE DEPENDENT STATES --- ! --- RESET DOTSTATE TO ZERO ---
!$OMP PARALLEL DO !$OMP PARALLEL 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 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 constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero
selectiveDebugger = (e == debug_e .and. i == debug_i .and. g == debug_g)
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), &
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
endif
enddo; enddo; enddo enddo; enddo; enddo
!$OMPEND PARALLEL DO !$OMPEND PARALLEL DO
@ -1925,14 +1910,13 @@ endif
! --+>> PREGUESS FOR STATE <<+-- ! --+>> PREGUESS FOR STATE <<+--
! --- UPDATE DEPENDENT STATES --- ! --- RESET DOTSTATE TO ZERO ---
!$OMP PARALLEL DO !$OMP PARALLEL 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 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 constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), & constitutive_previousDotState(g,i,e)%p = 0.0_pReal
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states constitutive_previousDotState2(g,i,e)%p = 0.0_pReal
endif
enddo; enddo; enddo enddo; enddo; enddo
!$OMPEND PARALLEL DO !$OMPEND PARALLEL DO
@ -1943,8 +1927,6 @@ endif
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 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
selectiveDebugger = (e == debug_e .and. i == debug_i .and. g == debug_g .and. mode == 1) selectiveDebugger = (e == debug_e .and. i == debug_i .and. g == debug_g .and. mode == 1)
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
constitutive_previousDotState2(g,i,e)%p = 0.0_pReal
constitutive_previousDotState(g,i,e)%p = 0.0_pReal
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, & call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, &
crystallite_Fp, crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), & crystallite_Fp, crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), &
crystallite_orientation, g, i, e) crystallite_orientation, g, i, e)
@ -1972,6 +1954,22 @@ crystallite_statedamper = 1.0_pReal
!$OMPEND PARALLEL DO !$OMPEND PARALLEL DO
! --- UPDATE DEPENDENT STATES ---
!$OMP PARALLEL DO
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
selectiveDebugger = (e == debug_e .and. i == debug_i .and. g == debug_g)
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), &
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
endif
constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero
constitutive_previousDotState(g,i,e)%p = constitutive_dotState(g,i,e)%p
constitutive_previousDotState2(g,i,e)%p = constitutive_previousDotState(g,i,e)%p
enddo; enddo; enddo
!$OMPEND PARALLEL DO
! --+>> STATE LOOP <<+-- ! --+>> STATE LOOP <<+--
NiterationState = 0_pInt NiterationState = 0_pInt
@ -2010,8 +2008,6 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
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 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
selectiveDebugger = (e == debug_e .and. i == debug_i .and. g == debug_g .and. mode == 1) selectiveDebugger = (e == debug_e .and. i == debug_i .and. g == debug_g .and. mode == 1)
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
constitutive_previousDotState2(g,i,e)%p = constitutive_previousDotState(g,i,e)%p ! wind forward dotStates
constitutive_previousDotState(g,i,e)%p = constitutive_dotState(g,i,e)%p
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, & call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, &
crystallite_Fp, crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), & crystallite_Fp, crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), &
crystallite_orientation, g, i, e) crystallite_orientation, g, i, e)
@ -2066,6 +2062,9 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), & call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), &
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
endif endif
constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero
constitutive_previousDotState(g,i,e)%p = constitutive_dotState(g,i,e)%p
constitutive_previousDotState2(g,i,e)%p = constitutive_previousDotState(g,i,e)%p
enddo; enddo; enddo enddo; enddo; enddo
!$OMPEND PARALLEL DO !$OMPEND PARALLEL DO
@ -2176,8 +2175,8 @@ if (verboseDebugger .and. selectiveDebugger) then
write(6,*) write(6,*)
write(6,'(a,/,12(e12.5,x))') 'updateState: new state',constitutive_state(g,i,e)%p(1:mySize) write(6,'(a,/,12(e12.5,x))') 'updateState: new state',constitutive_state(g,i,e)%p(1:mySize)
write(6,*) write(6,*)
write(6,'(a,/,12(f12.1,x))') 'updateState: resid tolerance',abs(residuum / rTol_crystalliteState & write(6,'(a,/,12(f12.1,x))') 'updateState: relative residuum tolerance', abs(residuum / rTol_crystalliteState &
/ constitutive_state(g,i,e)%p(1:mySize)) / constitutive_state(g,i,e)%p(1:mySize))
write(6,*) write(6,*)
!$OMPEND CRITICAL (write2out) !$OMPEND CRITICAL (write2out)
endif endif