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criterion for crystallite cutback loop changed from crystallite_subStep to crystallite_todo; this avoids problems when the last substep of the crystallite increment is below subStepMinCryst (which is allowed during last wind forward) 

fixed bug in the adaptive Euler integrator and the RK4 integrator, which could not reach the stateJump function, because of erroneous check for converged flag; also corrected the state counter for the RK4 integrator
This commit is contained in:
Christoph Kords 2012-11-08 20:00:29 +00:00
parent ee5903c767
commit 60438cdbcc
1 changed files with 48 additions and 68 deletions
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74
code/crystallite.f90
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@ -581,7 +581,7 @@ enddo
NiterationCrystallite = 0_pInt NiterationCrystallite = 0_pInt
numerics_integrationMode = 1_pInt numerics_integrationMode = 1_pInt
do while (any(crystallite_subStep(:,:,FEsolving_execELem(1):FEsolving_execElem(2)) > subStepMinCryst)) ! cutback loop for crystallites do while (any(crystallite_todo(:,:,FEsolving_execELem(1):FEsolving_execElem(2)))) ! cutback loop for crystallites
!$OMP PARALLEL DO PRIVATE(myNgrains,formerSubStep) !$OMP PARALLEL DO PRIVATE(myNgrains,formerSubStep)
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
@ -620,6 +620,8 @@ do while (any(crystallite_subStep(:,:,FEsolving_execELem(1):FEsolving_execElem(2
endif endif
#endif #endif
elseif (formerSubStep > 0.0_pReal) then ! this crystallite just converged elseif (formerSubStep > 0.0_pReal) then ! this crystallite just converged
crystallite_todo(g,i,e) = .false. ! so done here
!$OMP FLUSH(crystallite_todo)
if (iand(debug_level(debug_crystallite),debug_levelBasic) /= 0_pInt) then if (iand(debug_level(debug_crystallite),debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (distributionCrystallite) !$OMP CRITICAL (distributionCrystallite)
debug_CrystalliteLoopDistribution(min(nCryst+1_pInt,NiterationCrystallite)) = & debug_CrystalliteLoopDistribution(min(nCryst+1_pInt,NiterationCrystallite)) = &
@ -690,6 +692,8 @@ do while (any(crystallite_subStep(:,:,FEsolving_execELem(1):FEsolving_execElem(2
endselect endselect
endif endif
where(.not. crystallite_converged) crystallite_todo = .true.
NiterationCrystallite = NiterationCrystallite + 1_pInt NiterationCrystallite = NiterationCrystallite + 1_pInt
enddo ! cutback loop enddo ! cutback loop
@ -1152,14 +1156,11 @@ do n = 1_pInt,4_pInt
!$OMP DO !$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
if (.not. crystallite_integrateStress(g,i,e,timeStepFraction(n))) then ! fraction of original times step crystallite_todo(g,i,e) = crystallite_integrateStress(g,i,e,timeStepFraction(n)) ! fraction of original times step
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local... if (.not. crystallite_todo(g,i,e) .and. .not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo) !$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo) !$OMP END CRITICAL (checkTodo)
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif endif
endif endif
enddo; enddo; enddo enddo; enddo; enddo
@ -1205,15 +1206,12 @@ enddo
!$OMP DO !$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e) .and. crystallite_converged(g,i,e)) then if (crystallite_todo(g,i,e)) then
if (.not. crystallite_stateJump(g,i,e)) then crystallite_todo(g,i,e) = crystallite_stateJump(g,i,e)
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local... if (.not. crystallite_todo(g,i,e) .and. .not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo) !$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo) !$OMP END CRITICAL (checkTodo)
else ! broken local ...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif endif
endif endif
enddo; enddo; enddo enddo; enddo; enddo
@ -1226,11 +1224,10 @@ enddo
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
crystallite_converged(g,i,e) = .true. ! if still "to do" then converged per definitionem crystallite_converged(g,i,e) = .true. ! if still "to do" then converged per definitionem
crystallite_todo(g,i,e) = .false. ! ... integration done
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (distributionState) !$OMP CRITICAL (distributionState)
debug_StateLoopDistribution(6,numerics_integrationMode) = & debug_StateLoopDistribution(4,numerics_integrationMode) = &
debug_StateLoopDistribution(6,numerics_integrationMode) + 1_pInt debug_StateLoopDistribution(4,numerics_integrationMode) + 1_pInt
!$OMP END CRITICAL (distributionState) !$OMP END CRITICAL (distributionState)
endif endif
endif endif
@ -1502,14 +1499,11 @@ do n = 1_pInt,5_pInt
!$OMP DO !$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
if (.not. crystallite_integrateStress(g,i,e,c(n))) then ! fraction of original time step crystallite_todo(g,i,e) = crystallite_integrateStress(g,i,e,c(n)) ! fraction of original time step
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local... if (.not. crystallite_todo(g,i,e) .and. .not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo) !$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo) !$OMP END CRITICAL (checkTodo)
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif endif
endif endif
enddo; enddo; enddo enddo; enddo; enddo
@ -1698,14 +1692,11 @@ relTemperatureResiduum = 0.0_pReal
!$OMP DO !$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
if (.not. crystallite_stateJump(g,i,e)) then crystallite_todo(g,i,e) = crystallite_stateJump(g,i,e)
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local... if (.not. crystallite_todo(g,i,e) .and. .not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo) !$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo) !$OMP END CRITICAL (checkTodo)
else ! brken local...
crystallite_todo(g,i,e) = .false. ! ...skip this one next time
endif
endif endif
endif endif
enddo; enddo; enddo enddo; enddo; enddo
@ -1718,7 +1709,6 @@ relTemperatureResiduum = 0.0_pReal
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
crystallite_converged(g,i,e) = .true. ! if still "to do" then converged per definitionem crystallite_converged(g,i,e) = .true. ! if still "to do" then converged per definitionem
crystallite_todo(g,i,e) = .false. ! ... integration done
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (distributionState) !$OMP CRITICAL (distributionState)
debug_StateLoopDistribution(6,numerics_integrationMode) = & debug_StateLoopDistribution(6,numerics_integrationMode) = &
@ -1837,17 +1827,14 @@ if (numerics_integrationMode < 2) then
!$OMP DO !$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e) .and. crystallite_converged(g,i,e)) then ! converged and still alive... if (crystallite_todo(g,i,e)) then
crystallite_todo(g,i,e) = .false. ! ... integration done crystallite_todo(g,i,e) = crystallite_stateJump(g,i,e)
crystallite_converged(g,i,e) = crystallite_stateJump(g,i,e) ! if state jump fails, then convergence is broken if (.not. crystallite_todo(g,i,e) .and. .not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
if (.not. crystallite_converged(g,i,e)) then
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo) !$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo) !$OMP END CRITICAL (checkTodo)
endif endif
endif endif
endif
enddo; enddo; enddo enddo; enddo; enddo
!$OMP ENDDO !$OMP ENDDO
@ -1919,14 +1906,11 @@ endif
!$OMP DO !$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
if (.not. crystallite_integrateStress(g,i,e)) then crystallite_todo(g,i,e) = crystallite_integrateStress(g,i,e)
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local... if (.not. crystallite_todo(g,i,e) .and. .not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo) !$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo) !$OMP END CRITICAL (checkTodo)
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif endif
endif endif
enddo; enddo; enddo enddo; enddo; enddo
@ -2225,7 +2209,6 @@ endif
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
crystallite_converged(g,i,e) = .true. ! if still "to do" then converged per definitionem crystallite_converged(g,i,e) = .true. ! if still "to do" then converged per definitionem
crystallite_todo(g,i,e) = .false. ! done with integration
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (distributionState) !$OMP CRITICAL (distributionState)
debug_StateLoopDistribution(1,numerics_integrationMode) = & debug_StateLoopDistribution(1,numerics_integrationMode) = &
@ -2392,7 +2375,7 @@ endif
! --+>> STATE LOOP <<+-- ! --+>> STATE LOOP <<+--
NiterationState = 0_pInt NiterationState = 0_pInt
do while (any(crystallite_todo) .and. NiterationState < nState ) ! convergence loop for crystallite do while (any(crystallite_todo .and. .not. crystallite_converged) .and. NiterationState < nState ) ! convergence loop for crystallite
NiterationState = NiterationState + 1_pInt NiterationState = NiterationState + 1_pInt
!$OMP PARALLEL !$OMP PARALLEL
@ -2416,15 +2399,13 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
!$OMP DO !$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
if (.not. crystallite_integrateStress(g,i,e)) then ! if function call says broken ... crystallite_todo(g,i,e) = crystallite_integrateStress(g,i,e)
crystallite_todo(g,i,e) = .false. ! ... then skip me if (.not. crystallite_todo(g,i,e) .and. .not. crystallite_localPlasticity(g,i,e)) then ! broken non-local...
if (.not. crystallite_localPlasticity(g,i,e)) then ! ... me is non-local...
!$OMP CRITICAL (checkTodo) !$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ... then all non-locals skipped crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ... then all non-locals skipped
!$OMP END CRITICAL (checkTodo) !$OMP END CRITICAL (checkTodo)
endif endif
endif endif
endif
enddo; enddo; enddo enddo; enddo; enddo
!$OMP ENDDO !$OMP ENDDO
@ -2549,9 +2530,9 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
!$OMP DO !$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e) .and. crystallite_converged(g,i,e)) then ! converged and still alive... if (crystallite_todo(g,i,e) .and. crystallite_converged(g,i,e)) then ! converged and still alive...
crystallite_todo(g,i,e) = .false. ! ... integration done crystallite_todo(g,i,e) = crystallite_stateJump(g,i,e)
crystallite_converged(g,i,e) = crystallite_stateJump(g,i,e) ! if state jump fails, then convergence is broken if (.not. crystallite_todo(g,i,e)) then ! if state jump fails, then convergence is broken
if (.not. crystallite_converged(g,i,e)) then crystallite_converged(g,i,e) = .false.
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local... if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo) !$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
@ -2580,7 +2561,6 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
crystallite_converged = crystallite_converged .and. crystallite_localPlasticity ! ...restart all non-local as not converged crystallite_converged = crystallite_converged .and. crystallite_localPlasticity ! ...restart all non-local as not converged
endif endif
endif endif
crystallite_todo = crystallite_todo .and. .not. crystallite_converged ! skip all converged
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) then if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) then
!$OMP CRITICAL(write2out) !$OMP CRITICAL(write2out)