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DAMASK_EICMD
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Merge branch 'development' of magit1.mpie.de:damask/DAMASK into development

This commit is contained in:
Martin Diehl 2017-05-18 17:02:55 +02:00
parent 27616d13b1 1bfdb4d6f3
commit 4580d8e23f
5 changed files with 47 additions and 40 deletions
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2
VERSION
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@ -1 +1 @@
v2.0.1-737-geff2b4c v2.0.1-755-g12f66fd

2
env/DAMASK.zsh vendored
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@ -19,7 +19,7 @@ source $DAMASK_ROOT/CONFIG
unset -f set unset -f set
# add DAMASK_BIN if present # add DAMASK_BIN if present
[ ( "x$DAMASK_BIN" != "x" ) ] && PATH=$DAMASK_BIN:$PATH [ "x$DAMASK_BIN" != "x" ] && PATH=$DAMASK_BIN:$PATH
SOLVER=`which DAMASK_spectral || True 2>/dev/null` SOLVER=`which DAMASK_spectral || True 2>/dev/null`
PROCESSING=`which postResults || True 2>/dev/null` PROCESSING=`which postResults || True 2>/dev/null`

68
src/crystallite.f90
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@ -1316,7 +1316,7 @@ subroutine crystallite_integrateStateRK4()
! first Runge-Kutta step ! first Runge-Kutta step
!$OMP PARALLEL !$OMP PARALLEL
!$OMP DO !$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)) & if (crystallite_todo(g,i,e)) &
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), & call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Fe, & crystallite_Fe, &
@ -1326,7 +1326,7 @@ subroutine crystallite_integrateStateRK4()
!$OMP ENDDO !$OMP ENDDO
!$OMP DO PRIVATE(p,c,NaN) !$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 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
!$OMP FLUSH(crystallite_todo) !$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
c = phasememberAt(g,i,e) c = phasememberAt(g,i,e)
@ -1335,13 +1335,13 @@ subroutine crystallite_integrateStateRK4()
do mySource = 1_pInt, phase_Nsources(p) do mySource = 1_pInt, phase_Nsources(p)
NaN = NaN .or. any(IEEE_is_NaN(sourceState(p)%p(mySource)%dotState(:,c))) NaN = NaN .or. any(IEEE_is_NaN(sourceState(p)%p(mySource)%dotState(:,c)))
enddo enddo
if (NaN) then ! NaN occured in any dotState if (NaN) then ! NaN occured in any dotState
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
!$OMP END CRITICAL (checkTodo) !$OMP END CRITICAL (checkTodo)
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
endif endif
endif endif
@ -1356,7 +1356,7 @@ subroutine crystallite_integrateStateRK4()
!$OMP PARALLEL !$OMP PARALLEL
!$OMP DO PRIVATE(p,c) !$OMP DO PRIVATE(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 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
p = phaseAt(g,i,e) p = phaseAt(g,i,e)
c = phasememberAt(g,i,e) c = phasememberAt(g,i,e)
@ -1371,7 +1371,7 @@ subroutine crystallite_integrateStateRK4()
!$OMP ENDDO !$OMP ENDDO
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeSourceDotState,p,c) !$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 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
p = phaseAt(g,i,e) p = phaseAt(g,i,e)
@ -2732,7 +2732,7 @@ subroutine crystallite_integrateStateFPI()
!$OMP ENDDO !$OMP ENDDO
!$OMP DO PRIVATE(p,c,NaN) !$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 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
!$OMP FLUSH(crystallite_todo) !$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
p = phaseAt(g,i,e) p = phaseAt(g,i,e)
@ -2741,13 +2741,13 @@ subroutine crystallite_integrateStateFPI()
do mySource = 1_pInt, phase_Nsources(p) do mySource = 1_pInt, phase_Nsources(p)
NaN = NaN .or. any(IEEE_is_NaN(sourceState(p)%p(mySource)%dotState(:,c))) NaN = NaN .or. any(IEEE_is_NaN(sourceState(p)%p(mySource)%dotState(:,c)))
enddo enddo
if (NaN) then ! NaN occured in any dotState if (NaN) then ! NaN occured in any dotState
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken is a non-local... if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken is a non-local...
!$OMP CRITICAL (checkTodo) !$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals done (and broken) crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals done (and broken)
!$OMP END CRITICAL (checkTodo) !$OMP END CRITICAL (checkTodo)
else ! broken one was local... else ! broken one was local...
crystallite_todo(g,i,e) = .false. ! ... done (and broken) crystallite_todo(g,i,e) = .false. ! ... done (and broken)
endif endif
endif endif
endif endif
@ -3107,7 +3107,7 @@ logical function crystallite_stateJump(ipc,ip,el)
plasticState(p)%deltaState(1:mySizePlasticDeltaState,c) plasticState(p)%deltaState(1:mySizePlasticDeltaState,c)
do mySource = 1_pInt, phase_Nsources(p) do mySource = 1_pInt, phase_Nsources(p)
mySizeSourceDeltaState = sourceState(p)%p(mySource)%sizeDeltaState mySizeSourceDeltaState = sourceState(p)%p(mySource)%sizeDeltaState
if( any(IEEE_is_NaN(sourceState(p)%p(mySource)%deltaState(:,c)))) then ! NaN occured in deltaState if( any(IEEE_is_NaN(sourceState(p)%p(mySource)%deltaState(:,c)))) then ! NaN occured in deltaState
crystallite_stateJump = .false. crystallite_stateJump = .false.
return return
endif endif
@ -3179,7 +3179,9 @@ logical function crystallite_integrateStress(&
aTol_crystalliteStress, & aTol_crystalliteStress, &
rTol_crystalliteStress, & rTol_crystalliteStress, &
iJacoLpresiduum, & iJacoLpresiduum, &
numerics_integrationMode numerics_integrationMode, &
subStepSizeLp, &
subStepSizeLi
use debug, only: debug_level, & use debug, only: debug_level, &
debug_crystallite, & debug_crystallite, &
debug_levelBasic, & debug_levelBasic, &
@ -3265,9 +3267,7 @@ logical function crystallite_integrateStress(&
dLp_dT3333, & dLp_dT3333, &
dLi_dT3333 dLi_dT3333
real(pReal) detInvFi, & ! determinant of InvFi real(pReal) detInvFi, & ! determinant of InvFi
steplengthLp0, &
steplengthLp, & steplengthLp, &
steplengthLi0, &
steplengthLi, & steplengthLi, &
dt, & ! time increment dt, & ! time increment
aTolLp, & aTolLp, &
@ -3353,8 +3353,7 @@ logical function crystallite_integrateStress(&
NiterationStressLi = 0_pInt NiterationStressLi = 0_pInt
jacoCounterLi = 0_pInt jacoCounterLi = 0_pInt
steplengthLi0 = 1.0_pReal steplengthLi = 1.0_pReal
steplengthLi = steplengthLi0
residuumLi_old = 0.0_pReal residuumLi_old = 0.0_pReal
LiLoop: do LiLoop: do
@ -3374,8 +3373,7 @@ logical function crystallite_integrateStress(&
NiterationStressLp = 0_pInt NiterationStressLp = 0_pInt
jacoCounterLp = 0_pInt jacoCounterLp = 0_pInt
steplengthLp0 = 1.0_pReal steplengthLp = 1.0_pReal
steplengthLp = steplengthLp0
residuumLp_old = 0.0_pReal residuumLp_old = 0.0_pReal
Lpguess_old = Lpguess Lpguess_old = Lpguess
@ -3428,8 +3426,8 @@ logical function crystallite_integrateStress(&
!* update current residuum and check for convergence of loop !* update current residuum and check for convergence of loop
aTolLp = max(rTol_crystalliteStress * max(norm2(Lpguess),norm2(Lp_constitutive)), & ! absolute tolerance from largest acceptable relative error aTolLp = max(rTol_crystalliteStress * max(norm2(Lpguess),norm2(Lp_constitutive)), & ! absolute tolerance from largest acceptable relative error
aTol_crystalliteStress) ! minimum lower cutoff aTol_crystalliteStress) ! minimum lower cutoff
residuumLp = Lpguess - Lp_constitutive residuumLp = Lpguess - Lp_constitutive
if (any(IEEE_is_NaN(residuumLp))) then ! NaN in residuum... if (any(IEEE_is_NaN(residuumLp))) then ! NaN in residuum...
@ -3440,16 +3438,16 @@ logical function crystallite_integrateStress(&
' ; iteration ', NiterationStressLp,& ' ; iteration ', NiterationStressLp,&
' >> returning..!' ' >> returning..!'
#endif #endif
return ! ...me = .false. to inform integrator about problem return ! ...me = .false. to inform integrator about problem
elseif (norm2(residuumLp) < aTolLp) then ! converged if below absolute tolerance elseif (norm2(residuumLp) < aTolLp) then ! converged if below absolute tolerance
exit LpLoop ! ...leave iteration loop exit LpLoop ! ...leave iteration loop
elseif ( NiterationStressLp == 1_pInt & elseif ( NiterationStressLp == 1_pInt &
.or. norm2(residuumLp) < norm2(residuumLp_old)) then ! not converged, but improved norm of residuum (always proceed in first iteration)... .or. norm2(residuumLp) < norm2(residuumLp_old)) then ! not converged, but improved norm of residuum (always proceed in first iteration)...
residuumLp_old = residuumLp ! ...remember old values and... residuumLp_old = residuumLp ! ...remember old values and...
Lpguess_old = Lpguess Lpguess_old = Lpguess
steplengthLp = steplengthLp0 ! ...proceed with normal step length (calculate new search direction) steplengthLp = 1.0_pReal ! ...proceed with normal step length (calculate new search direction)
else ! not converged and residuum not improved... else ! not converged and residuum not improved...
steplengthLp = 0.5_pReal * steplengthLp ! ...try with smaller step length in same direction steplengthLp = subStepSizeLp * steplengthLp ! ...try with smaller step length in same direction
Lpguess = Lpguess_old + steplengthLp * deltaLp Lpguess = Lpguess_old + steplengthLp * deltaLp
cycle LpLoop cycle LpLoop
endif endif
@ -3530,9 +3528,9 @@ logical function crystallite_integrateStress(&
.or. norm2(residuumLi) < norm2(residuumLi_old)) then ! not converged, but improved norm of residuum (always proceed in first iteration)... .or. norm2(residuumLi) < norm2(residuumLi_old)) then ! not converged, but improved norm of residuum (always proceed in first iteration)...
residuumLi_old = residuumLi ! ...remember old values and... residuumLi_old = residuumLi ! ...remember old values and...
Liguess_old = Liguess Liguess_old = Liguess
steplengthLi = steplengthLi0 ! ...proceed with normal step length (calculate new search direction) steplengthLi = 1.0_pReal ! ...proceed with normal step length (calculate new search direction)
else ! not converged and residuum not improved... else ! not converged and residuum not improved...
steplengthLi = 0.5_pReal * steplengthLi ! ...try with smaller step length in same direction steplengthLi = subStepSizeLi * steplengthLi ! ...try with smaller step length in same direction
Liguess = Liguess_old + steplengthLi * deltaLi Liguess = Liguess_old + steplengthLi * deltaLi
cycle LiLoop cycle LiLoop
endif endif

5
src/homogenization.f90
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@ -923,12 +923,11 @@ subroutine materialpoint_postResults
material_phase, & material_phase, &
homogenization_Ngrains, & homogenization_Ngrains, &
microstructure_crystallite microstructure_crystallite
use constitutive, only: &
#ifdef FEM #ifdef FEM
use constitutive, only: &
constitutive_plasticity_maxSizePostResults, & constitutive_plasticity_maxSizePostResults, &
constitutive_source_maxSizePostResults, & constitutive_source_maxSizePostResults
#endif #endif
constitutive_postResults
use crystallite, only: & use crystallite, only: &
#ifdef FEM #ifdef FEM
crystallite_maxSizePostResults, & crystallite_maxSizePostResults, &

10
src/numerics.f90
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@ -42,6 +42,8 @@ module numerics
subStepMinHomog = 1.0e-3_pReal, & !< minimum (relative) size of sub-step allowed during cutback in homogenization subStepMinHomog = 1.0e-3_pReal, & !< minimum (relative) size of sub-step allowed during cutback in homogenization
subStepSizeCryst = 0.25_pReal, & !< size of first substep when cutback in crystallite subStepSizeCryst = 0.25_pReal, & !< size of first substep when cutback in crystallite
subStepSizeHomog = 0.25_pReal, & !< size of first substep when cutback in homogenization subStepSizeHomog = 0.25_pReal, & !< size of first substep when cutback in homogenization
subStepSizeLp = 0.5_pReal, & !< size of first substep when cutback in Lp calculation
subStepSizeLi = 0.5_pReal, & !< size of first substep when cutback in Li calculation
stepIncreaseCryst = 1.5_pReal, & !< increase of next substep size when previous substep converged in crystallite stepIncreaseCryst = 1.5_pReal, & !< increase of next substep size when previous substep converged in crystallite
stepIncreaseHomog = 1.5_pReal, & !< increase of next substep size when previous substep converged in homogenization stepIncreaseHomog = 1.5_pReal, & !< increase of next substep size when previous substep converged in homogenization
rTol_crystalliteState = 1.0e-6_pReal, & !< relative tolerance in crystallite state loop rTol_crystalliteState = 1.0e-6_pReal, & !< relative tolerance in crystallite state loop
@ -295,6 +297,10 @@ subroutine numerics_init
subStepSizeCryst = IO_floatValue(line,chunkPos,2_pInt) subStepSizeCryst = IO_floatValue(line,chunkPos,2_pInt)
case ('stepincreasecryst') case ('stepincreasecryst')
stepIncreaseCryst = IO_floatValue(line,chunkPos,2_pInt) stepIncreaseCryst = IO_floatValue(line,chunkPos,2_pInt)
case ('substepsizelp')
subStepSizeLp = IO_floatValue(line,chunkPos,2_pInt)
case ('substepsizeli')
subStepSizeLi = IO_floatValue(line,chunkPos,2_pInt)
case ('substepminhomog') case ('substepminhomog')
subStepMinHomog = IO_floatValue(line,chunkPos,2_pInt) subStepMinHomog = IO_floatValue(line,chunkPos,2_pInt)
case ('substepsizehomog') case ('substepsizehomog')
@ -515,6 +521,8 @@ subroutine numerics_init
write(6,'(a24,1x,es8.1)') ' subStepMinCryst: ',subStepMinCryst write(6,'(a24,1x,es8.1)') ' subStepMinCryst: ',subStepMinCryst
write(6,'(a24,1x,es8.1)') ' subStepSizeCryst: ',subStepSizeCryst write(6,'(a24,1x,es8.1)') ' subStepSizeCryst: ',subStepSizeCryst
write(6,'(a24,1x,es8.1)') ' stepIncreaseCryst: ',stepIncreaseCryst write(6,'(a24,1x,es8.1)') ' stepIncreaseCryst: ',stepIncreaseCryst
write(6,'(a24,1x,es8.1)') ' subStepSizeLp: ',subStepSizeLp
write(6,'(a24,1x,es8.1)') ' subStepSizeLi: ',subStepSizeLi
write(6,'(a24,1x,i8)') ' nState: ',nState write(6,'(a24,1x,i8)') ' nState: ',nState
write(6,'(a24,1x,i8)') ' nStress: ',nStress write(6,'(a24,1x,i8)') ' nStress: ',nStress
write(6,'(a24,1x,es8.1)') ' rTol_crystalliteState: ',rTol_crystalliteState write(6,'(a24,1x,es8.1)') ' rTol_crystalliteState: ',rTol_crystalliteState
@ -643,6 +651,8 @@ subroutine numerics_init
if (subStepMinCryst <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepMinCryst') if (subStepMinCryst <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepMinCryst')
if (subStepSizeCryst <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepSizeCryst') if (subStepSizeCryst <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepSizeCryst')
if (stepIncreaseCryst <= 0.0_pReal) call IO_error(301_pInt,ext_msg='stepIncreaseCryst') if (stepIncreaseCryst <= 0.0_pReal) call IO_error(301_pInt,ext_msg='stepIncreaseCryst')
if (subStepSizeLp <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepSizeLp')
if (subStepSizeLi <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepSizeLi')
if (subStepMinHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepMinHomog') if (subStepMinHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepMinHomog')
if (subStepSizeHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepSizeHomog') if (subStepSizeHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepSizeHomog')
if (stepIncreaseHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='stepIncreaseHomog') if (stepIncreaseHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='stepIncreaseHomog')