Merge branch '39-simplify-obscure-numerics-integration-mode' into 'development'

Resolve "simplify obscure numerics integration mode"

Closes #39

See merge request damask/DAMASK!36
This commit is contained in:
Philip Eisenlohr 2018-09-07 19:34:35 +02:00
commit 9be2c084e4
3 changed files with 29 additions and 59 deletions

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@ -114,6 +114,7 @@ module crystallite
end enum end enum
integer(kind(undefined_ID)),dimension(:,:), allocatable, private :: & integer(kind(undefined_ID)),dimension(:,:), allocatable, private :: &
crystallite_outputID !< ID of each post result output crystallite_outputID !< ID of each post result output
procedure(), pointer :: integrateState
public :: & public :: &
crystallite_init, & crystallite_init, &
@ -122,6 +123,7 @@ module crystallite
crystallite_push33ToRef, & crystallite_push33ToRef, &
crystallite_postResults crystallite_postResults
private :: & private :: &
integrateState, &
crystallite_integrateStateFPI, & crystallite_integrateStateFPI, &
crystallite_integrateStateEuler, & crystallite_integrateStateEuler, &
crystallite_integrateStateAdaptiveEuler, & crystallite_integrateStateAdaptiveEuler, &
@ -149,6 +151,7 @@ subroutine crystallite_init
debug_crystallite, & debug_crystallite, &
debug_levelBasic debug_levelBasic
use numerics, only: & use numerics, only: &
numerics_integrator, &
worldrank, & worldrank, &
usePingPong usePingPong
use math, only: & use math, only: &
@ -271,6 +274,20 @@ subroutine crystallite_init
allocate(crystallite_sizePostResult(maxval(crystallite_Noutput), & allocate(crystallite_sizePostResult(maxval(crystallite_Noutput), &
size(config_crystallite)), source=0_pInt) size(config_crystallite)), source=0_pInt)
select case(numerics_integrator(1))
case(1_pInt)
integrateState => crystallite_integrateStateFPI
case(2_pInt)
integrateState => crystallite_integrateStateEuler
case(3_pInt)
integrateState => crystallite_integrateStateAdaptiveEuler
case(4_pInt)
integrateState => crystallite_integrateStateRK4
case(5_pInt)
integrateState => crystallite_integrateStateRKCK45
end select
do c = 1_pInt, size(config_crystallite) do c = 1_pInt, size(config_crystallite)
#if defined(__GFORTRAN__) #if defined(__GFORTRAN__)
@ -509,8 +526,6 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
subStepMinCryst, & subStepMinCryst, &
subStepSizeCryst, & subStepSizeCryst, &
stepIncreaseCryst, & stepIncreaseCryst, &
numerics_integrator, &
numerics_integrationMode, &
numerics_timeSyncing numerics_timeSyncing
use debug, only: & use debug, only: &
debug_level, & debug_level, &
@ -663,7 +678,6 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
endif singleRun endif singleRun
NiterationCrystallite = 0_pInt NiterationCrystallite = 0_pInt
numerics_integrationMode = 1_pInt
cutbackLooping: do while (any(crystallite_todo(:,startIP:endIP,FEsolving_execELem(1):FEsolving_execElem(2)))) cutbackLooping: do while (any(crystallite_todo(:,startIP:endIP,FEsolving_execELem(1):FEsolving_execElem(2))))
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) & if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) &
@ -1041,25 +1055,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
! --- integrate --- requires fully defined state array (basic + dependent state) ! --- integrate --- requires fully defined state array (basic + dependent state)
if (any(crystallite_todo)) then if (any(crystallite_todo)) call integrateState()
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) then
write(6,'(/,a,i3)') '<< CRYST >> using state integrator ',numerics_integrator(numerics_integrationMode)
flush(6)
endif
select case(numerics_integrator(numerics_integrationMode))
case(1_pInt)
call crystallite_integrateStateFPI()
case(2_pInt)
call crystallite_integrateStateEuler()
case(3_pInt)
call crystallite_integrateStateAdaptiveEuler()
case(4_pInt)
call crystallite_integrateStateRK4()
case(5_pInt)
call crystallite_integrateStateRKCK45()
end select
endif
where(.not. crystallite_converged .and. crystallite_subStep > subStepMinCryst) & ! do not try non-converged & fully cutbacked any further where(.not. crystallite_converged .and. crystallite_subStep > subStepMinCryst) & ! do not try non-converged & fully cutbacked any further
crystallite_todo = .true. crystallite_todo = .true.
@ -2025,8 +2021,7 @@ subroutine crystallite_integrateStateAdaptiveEuler()
debug_levelExtensive, & debug_levelExtensive, &
debug_levelSelective debug_levelSelective
use numerics, only: & use numerics, only: &
rTol_crystalliteState, & rTol_crystalliteState
numerics_integrationMode
use FEsolving, only: & use FEsolving, only: &
FEsolving_execElem, & FEsolving_execElem, &
FEsolving_execIP FEsolving_execIP
@ -2094,7 +2089,6 @@ subroutine crystallite_integrateStateAdaptiveEuler()
sourceStateResiduum = 0.0_pReal sourceStateResiduum = 0.0_pReal
relSourceStateResiduum = 0.0_pReal relSourceStateResiduum = 0.0_pReal
integrationMode: if (numerics_integrationMode == 1_pInt) then
!$OMP PARALLEL !$OMP PARALLEL
! --- DOT STATE (EULER INTEGRATION) --- ! --- DOT STATE (EULER INTEGRATION) ---
@ -2194,7 +2188,6 @@ subroutine crystallite_integrateStateAdaptiveEuler()
enddo; enddo; enddo enddo; enddo; enddo
!$OMP ENDDO !$OMP ENDDO
!$OMP END PARALLEL !$OMP END PARALLEL
endif integrationMode
! --- STRESS INTEGRATION (EULER INTEGRATION) --- ! --- STRESS INTEGRATION (EULER INTEGRATION) ---
@ -2214,9 +2207,6 @@ subroutine crystallite_integrateStateAdaptiveEuler()
enddo; enddo; enddo enddo; enddo; enddo
!$OMP END PARALLEL DO !$OMP END PARALLEL DO
if (numerics_integrationMode == 1_pInt) then
!$OMP PARALLEL !$OMP PARALLEL
! --- DOT STATE (HEUN METHOD) --- ! --- DOT STATE (HEUN METHOD) ---
@ -2335,17 +2325,6 @@ subroutine crystallite_integrateStateAdaptiveEuler()
!$OMP ENDDO !$OMP ENDDO
!$OMP END PARALLEL !$OMP END PARALLEL
elseif (numerics_integrationMode > 1) then ! stiffness calculation
!$OMP PARALLEL DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
crystallite_converged(g,i,e) = crystallite_todo(g,i,e) .or. crystallite_converged(g,i,e) ! ... converged per definitionem
enddo; enddo; enddo
!$OMP END PARALLEL DO
endif
! --- NONLOCAL CONVERGENCE CHECK --- ! --- NONLOCAL CONVERGENCE CHECK ---
@ -2376,7 +2355,6 @@ subroutine crystallite_integrateStateEuler()
debug_levelExtensive, & debug_levelExtensive, &
debug_levelSelective debug_levelSelective
use numerics, only: & use numerics, only: &
numerics_integrationMode, &
numerics_timeSyncing numerics_timeSyncing
use FEsolving, only: & use FEsolving, only: &
FEsolving_execElem, & FEsolving_execElem, &
@ -2423,7 +2401,6 @@ eIter = FEsolving_execElem(1:2)
singleRun = (eIter(1) == eIter(2) .and. iIter(1,eIter(1)) == iIter(2,eIter(2))) singleRun = (eIter(1) == eIter(2) .and. iIter(1,eIter(1)) == iIter(2,eIter(2)))
if (numerics_integrationMode == 1_pInt) then
!$OMP PARALLEL !$OMP PARALLEL
! --- DOT STATE --- ! --- DOT STATE ---
@ -2528,7 +2505,6 @@ eIter = FEsolving_execElem(1:2)
enddo; enddo; enddo enddo; enddo; enddo
!$OMP ENDDO !$OMP ENDDO
!$OMP END PARALLEL !$OMP END PARALLEL
endif
!$OMP PARALLEL !$OMP PARALLEL

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@ -26,9 +26,8 @@ module numerics
worldsize = 0_pInt !< MPI worldsize (/=0 for MPI simulations only) worldsize = 0_pInt !< MPI worldsize (/=0 for MPI simulations only)
integer(4), protected, public :: & integer(4), protected, public :: &
DAMASK_NumThreadsInt = 0 !< value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive DAMASK_NumThreadsInt = 0 !< value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive
integer(pInt), public :: & !< ToDo: numerics_integrator is an array for historical reasons, only element 1 is used!
numerics_integrationMode = 0_pInt !< integrationMode 1 = central solution; integrationMode 2 = perturbation, Default 0: undefined, is not read from file integer(pInt), dimension(2), protected, public :: &
integer(pInt), dimension(2) , protected, public :: &
numerics_integrator = 1_pInt !< method used for state integration (central & perturbed state), Default 1: fix-point iteration for both states numerics_integrator = 1_pInt !< method used for state integration (central & perturbed state), Default 1: fix-point iteration for both states
real(pReal), protected, public :: & real(pReal), protected, public :: &
relevantStrain = 1.0e-7_pReal, & !< strain increment considered significant (used by crystallite to determine whether strain inc is considered significant) relevantStrain = 1.0e-7_pReal, & !< strain increment considered significant (used by crystallite to determine whether strain inc is considered significant)
@ -314,9 +313,7 @@ subroutine numerics_init
case ('atol_crystallitestress') case ('atol_crystallitestress')
aTol_crystalliteStress = IO_floatValue(line,chunkPos,2_pInt) aTol_crystalliteStress = IO_floatValue(line,chunkPos,2_pInt)
case ('integrator') case ('integrator')
numerics_integrator(1) = IO_intValue(line,chunkPos,2_pInt) numerics_integrator = IO_intValue(line,chunkPos,2_pInt)
case ('integratorstiffness')
numerics_integrator(2) = IO_intValue(line,chunkPos,2_pInt)
case ('usepingpong') case ('usepingpong')
usepingpong = IO_intValue(line,chunkPos,2_pInt) > 0_pInt usepingpong = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
case ('timesyncing') case ('timesyncing')

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@ -2382,8 +2382,7 @@ use, intrinsic :: &
use prec, only: dNeq0, & use prec, only: dNeq0, &
dNeq, & dNeq, &
dEq0 dEq0
use numerics, only: numerics_integrationMode, & use numerics, only: numerics_timeSyncing
numerics_timeSyncing
use IO, only: IO_error use IO, only: IO_error
use debug, only: debug_level, & use debug, only: debug_level, &
debug_constitutive, & debug_constitutive, &
@ -2942,14 +2941,12 @@ rhoDot = rhoDotFlux &
+ rhoDotAthermalAnnihilation & + rhoDotAthermalAnnihilation &
+ rhoDotThermalAnnihilation + rhoDotThermalAnnihilation
if (numerics_integrationMode == 1_pInt) then ! save rates for output if in central integration mode rhoDotFluxOutput(1:ns,1:8,1_pInt,ip,el) = rhoDotFlux(1:ns,1:8)
rhoDotFluxOutput(1:ns,1:8,1_pInt,ip,el) = rhoDotFlux(1:ns,1:8) rhoDotMultiplicationOutput(1:ns,1:2,1_pInt,ip,el) = rhoDotMultiplication(1:ns,[1,3])
rhoDotMultiplicationOutput(1:ns,1:2,1_pInt,ip,el) = rhoDotMultiplication(1:ns,[1,3]) rhoDotSingle2DipoleGlideOutput(1:ns,1:2,1_pInt,ip,el) = rhoDotSingle2DipoleGlide(1:ns,9:10)
rhoDotSingle2DipoleGlideOutput(1:ns,1:2,1_pInt,ip,el) = rhoDotSingle2DipoleGlide(1:ns,9:10) rhoDotAthermalAnnihilationOutput(1:ns,1:2,1_pInt,ip,el) = rhoDotAthermalAnnihilation(1:ns,9:10)
rhoDotAthermalAnnihilationOutput(1:ns,1:2,1_pInt,ip,el) = rhoDotAthermalAnnihilation(1:ns,9:10) rhoDotThermalAnnihilationOutput(1:ns,1:2,1_pInt,ip,el) = rhoDotThermalAnnihilation(1:ns,9:10)
rhoDotThermalAnnihilationOutput(1:ns,1:2,1_pInt,ip,el) = rhoDotThermalAnnihilation(1:ns,9:10) rhoDotEdgeJogsOutput(1:ns,1_pInt,ip,el) = 2.0_pReal * rhoDotThermalAnnihilation(1:ns,1)
rhoDotEdgeJogsOutput(1:ns,1_pInt,ip,el) = 2.0_pReal * rhoDotThermalAnnihilation(1:ns,1)
endif
#ifdef DEBUG #ifdef DEBUG