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
commit
9be2c084e4
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@ -114,6 +114,7 @@ module crystallite
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end enum
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integer(kind(undefined_ID)),dimension(:,:), allocatable, private :: &
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crystallite_outputID !< ID of each post result output
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procedure(), pointer :: integrateState
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public :: &
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crystallite_init, &
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@ -122,6 +123,7 @@ module crystallite
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crystallite_push33ToRef, &
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crystallite_postResults
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private :: &
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integrateState, &
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crystallite_integrateStateFPI, &
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crystallite_integrateStateEuler, &
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crystallite_integrateStateAdaptiveEuler, &
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@ -149,6 +151,7 @@ subroutine crystallite_init
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debug_crystallite, &
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debug_levelBasic
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use numerics, only: &
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numerics_integrator, &
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worldrank, &
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usePingPong
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use math, only: &
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@ -271,6 +274,20 @@ subroutine crystallite_init
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allocate(crystallite_sizePostResult(maxval(crystallite_Noutput), &
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size(config_crystallite)), source=0_pInt)
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select case(numerics_integrator(1))
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case(1_pInt)
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integrateState => crystallite_integrateStateFPI
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case(2_pInt)
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integrateState => crystallite_integrateStateEuler
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case(3_pInt)
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integrateState => crystallite_integrateStateAdaptiveEuler
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case(4_pInt)
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integrateState => crystallite_integrateStateRK4
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case(5_pInt)
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integrateState => crystallite_integrateStateRKCK45
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end select
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do c = 1_pInt, size(config_crystallite)
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#if defined(__GFORTRAN__)
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@ -509,8 +526,6 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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subStepMinCryst, &
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subStepSizeCryst, &
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stepIncreaseCryst, &
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numerics_integrator, &
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numerics_integrationMode, &
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numerics_timeSyncing
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use debug, only: &
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debug_level, &
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@ -663,7 +678,6 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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endif singleRun
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NiterationCrystallite = 0_pInt
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numerics_integrationMode = 1_pInt
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cutbackLooping: do while (any(crystallite_todo(:,startIP:endIP,FEsolving_execELem(1):FEsolving_execElem(2))))
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if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) &
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@ -1041,25 +1055,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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! --- integrate --- requires fully defined state array (basic + dependent state)
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if (any(crystallite_todo)) then
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if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) then
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write(6,'(/,a,i3)') '<< CRYST >> using state integrator ',numerics_integrator(numerics_integrationMode)
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flush(6)
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endif
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select case(numerics_integrator(numerics_integrationMode))
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case(1_pInt)
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call crystallite_integrateStateFPI()
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case(2_pInt)
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call crystallite_integrateStateEuler()
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case(3_pInt)
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call crystallite_integrateStateAdaptiveEuler()
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case(4_pInt)
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call crystallite_integrateStateRK4()
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case(5_pInt)
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call crystallite_integrateStateRKCK45()
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end select
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endif
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if (any(crystallite_todo)) call integrateState()
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where(.not. crystallite_converged .and. crystallite_subStep > subStepMinCryst) & ! do not try non-converged & fully cutbacked any further
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crystallite_todo = .true.
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@ -2025,8 +2021,7 @@ subroutine crystallite_integrateStateAdaptiveEuler()
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debug_levelExtensive, &
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debug_levelSelective
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use numerics, only: &
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rTol_crystalliteState, &
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numerics_integrationMode
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rTol_crystalliteState
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use FEsolving, only: &
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FEsolving_execElem, &
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FEsolving_execIP
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@ -2094,7 +2089,6 @@ subroutine crystallite_integrateStateAdaptiveEuler()
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sourceStateResiduum = 0.0_pReal
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relSourceStateResiduum = 0.0_pReal
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integrationMode: if (numerics_integrationMode == 1_pInt) then
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!$OMP PARALLEL
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! --- DOT STATE (EULER INTEGRATION) ---
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@ -2194,7 +2188,6 @@ subroutine crystallite_integrateStateAdaptiveEuler()
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enddo; enddo; enddo
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!$OMP ENDDO
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!$OMP END PARALLEL
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endif integrationMode
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! --- STRESS INTEGRATION (EULER INTEGRATION) ---
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@ -2214,9 +2207,6 @@ subroutine crystallite_integrateStateAdaptiveEuler()
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enddo; enddo; enddo
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!$OMP END PARALLEL DO
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if (numerics_integrationMode == 1_pInt) then
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!$OMP PARALLEL
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! --- DOT STATE (HEUN METHOD) ---
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@ -2335,17 +2325,6 @@ subroutine crystallite_integrateStateAdaptiveEuler()
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!$OMP ENDDO
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!$OMP END PARALLEL
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elseif (numerics_integrationMode > 1) then ! stiffness calculation
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!$OMP PARALLEL DO
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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
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crystallite_converged(g,i,e) = crystallite_todo(g,i,e) .or. crystallite_converged(g,i,e) ! ... converged per definitionem
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enddo; enddo; enddo
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!$OMP END PARALLEL DO
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endif
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! --- NONLOCAL CONVERGENCE CHECK ---
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@ -2376,7 +2355,6 @@ subroutine crystallite_integrateStateEuler()
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debug_levelExtensive, &
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debug_levelSelective
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use numerics, only: &
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numerics_integrationMode, &
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numerics_timeSyncing
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use FEsolving, only: &
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FEsolving_execElem, &
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@ -2423,7 +2401,6 @@ eIter = FEsolving_execElem(1:2)
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singleRun = (eIter(1) == eIter(2) .and. iIter(1,eIter(1)) == iIter(2,eIter(2)))
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if (numerics_integrationMode == 1_pInt) then
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!$OMP PARALLEL
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! --- DOT STATE ---
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@ -2528,7 +2505,6 @@ eIter = FEsolving_execElem(1:2)
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enddo; enddo; enddo
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!$OMP ENDDO
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!$OMP END PARALLEL
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endif
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!$OMP PARALLEL
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@ -26,9 +26,8 @@ module numerics
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worldsize = 0_pInt !< MPI worldsize (/=0 for MPI simulations only)
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integer(4), protected, public :: &
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DAMASK_NumThreadsInt = 0 !< value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive
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integer(pInt), public :: &
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numerics_integrationMode = 0_pInt !< integrationMode 1 = central solution; integrationMode 2 = perturbation, Default 0: undefined, is not read from file
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integer(pInt), dimension(2) , protected, public :: &
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!< ToDo: numerics_integrator is an array for historical reasons, only element 1 is used!
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integer(pInt), dimension(2), protected, public :: &
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numerics_integrator = 1_pInt !< method used for state integration (central & perturbed state), Default 1: fix-point iteration for both states
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real(pReal), protected, public :: &
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relevantStrain = 1.0e-7_pReal, & !< strain increment considered significant (used by crystallite to determine whether strain inc is considered significant)
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@ -314,9 +313,7 @@ subroutine numerics_init
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case ('atol_crystallitestress')
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aTol_crystalliteStress = IO_floatValue(line,chunkPos,2_pInt)
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case ('integrator')
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numerics_integrator(1) = IO_intValue(line,chunkPos,2_pInt)
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case ('integratorstiffness')
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numerics_integrator(2) = IO_intValue(line,chunkPos,2_pInt)
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numerics_integrator = IO_intValue(line,chunkPos,2_pInt)
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case ('usepingpong')
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usepingpong = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
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case ('timesyncing')
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@ -2382,8 +2382,7 @@ use, intrinsic :: &
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use prec, only: dNeq0, &
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dNeq, &
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dEq0
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use numerics, only: numerics_integrationMode, &
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numerics_timeSyncing
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use numerics, only: numerics_timeSyncing
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use IO, only: IO_error
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use debug, only: debug_level, &
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debug_constitutive, &
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@ -2942,14 +2941,12 @@ rhoDot = rhoDotFlux &
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+ rhoDotAthermalAnnihilation &
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+ rhoDotThermalAnnihilation
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if (numerics_integrationMode == 1_pInt) then ! save rates for output if in central integration mode
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rhoDotFluxOutput(1:ns,1:8,1_pInt,ip,el) = rhoDotFlux(1:ns,1:8)
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rhoDotMultiplicationOutput(1:ns,1:2,1_pInt,ip,el) = rhoDotMultiplication(1:ns,[1,3])
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rhoDotSingle2DipoleGlideOutput(1:ns,1:2,1_pInt,ip,el) = rhoDotSingle2DipoleGlide(1:ns,9:10)
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rhoDotAthermalAnnihilationOutput(1:ns,1:2,1_pInt,ip,el) = rhoDotAthermalAnnihilation(1:ns,9:10)
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rhoDotThermalAnnihilationOutput(1:ns,1:2,1_pInt,ip,el) = rhoDotThermalAnnihilation(1:ns,9:10)
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rhoDotEdgeJogsOutput(1:ns,1_pInt,ip,el) = 2.0_pReal * rhoDotThermalAnnihilation(1:ns,1)
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endif
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rhoDotFluxOutput(1:ns,1:8,1_pInt,ip,el) = rhoDotFlux(1:ns,1:8)
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rhoDotMultiplicationOutput(1:ns,1:2,1_pInt,ip,el) = rhoDotMultiplication(1:ns,[1,3])
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rhoDotSingle2DipoleGlideOutput(1:ns,1:2,1_pInt,ip,el) = rhoDotSingle2DipoleGlide(1:ns,9:10)
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rhoDotAthermalAnnihilationOutput(1:ns,1:2,1_pInt,ip,el) = rhoDotAthermalAnnihilation(1:ns,9:10)
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rhoDotThermalAnnihilationOutput(1:ns,1:2,1_pInt,ip,el) = rhoDotThermalAnnihilation(1:ns,9:10)
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rhoDotEdgeJogsOutput(1:ns,1_pInt,ip,el) = 2.0_pReal * rhoDotThermalAnnihilation(1:ns,1)
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#ifdef DEBUG
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