Merge branch 'development' of magit1.mpie.de:damask/DAMASK into development
This commit is contained in:
Martin Diehl
commit
4580d8e23f
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@ -19,7 +19,7 @@ source $DAMASK_ROOT/CONFIG
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unset -f set
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# add DAMASK_BIN if present
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[ ( "x$DAMASK_BIN" != "x" ) ] && PATH=$DAMASK_BIN:$PATH
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[ "x$DAMASK_BIN" != "x" ] && PATH=$DAMASK_BIN:$PATH
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SOLVER=`which DAMASK_spectral || True 2>/dev/null`
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PROCESSING=`which postResults || True 2>/dev/null`
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@ -1316,7 +1316,7 @@ subroutine crystallite_integrateStateRK4()
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! first Runge-Kutta step
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!$OMP PARALLEL
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!$OMP DO
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do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
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do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
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if (crystallite_todo(g,i,e)) &
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call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), &
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crystallite_Fe, &
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@ -1326,7 +1326,7 @@ subroutine crystallite_integrateStateRK4()
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!$OMP ENDDO
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!$OMP DO PRIVATE(p,c,NaN)
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do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
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do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
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!$OMP FLUSH(crystallite_todo)
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if (crystallite_todo(g,i,e)) then
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c = phasememberAt(g,i,e)
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@ -1335,13 +1335,13 @@ subroutine crystallite_integrateStateRK4()
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do mySource = 1_pInt, phase_Nsources(p)
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NaN = NaN .or. any(IEEE_is_NaN(sourceState(p)%p(mySource)%dotState(:,c)))
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enddo
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if (NaN) then ! NaN occured in any dotState
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if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
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if (NaN) then ! NaN occured in any dotState
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if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
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!$OMP CRITICAL (checkTodo)
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crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
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crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
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!$OMP END CRITICAL (checkTodo)
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else ! if broken local...
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crystallite_todo(g,i,e) = .false. ! ... skip this one next time
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else ! if broken local...
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crystallite_todo(g,i,e) = .false. ! ... skip this one next time
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endif
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endif
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endif
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@ -1356,7 +1356,7 @@ subroutine crystallite_integrateStateRK4()
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!$OMP PARALLEL
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!$OMP DO PRIVATE(p,c)
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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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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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if (crystallite_todo(g,i,e)) then
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p = phaseAt(g,i,e)
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c = phasememberAt(g,i,e)
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@ -1371,7 +1371,7 @@ subroutine crystallite_integrateStateRK4()
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!$OMP ENDDO
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!$OMP DO PRIVATE(mySizePlasticDotState,mySizeSourceDotState,p,c)
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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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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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if (crystallite_todo(g,i,e)) then
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p = phaseAt(g,i,e)
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@ -2732,7 +2732,7 @@ subroutine crystallite_integrateStateFPI()
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!$OMP ENDDO
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!$OMP DO PRIVATE(p,c,NaN)
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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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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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!$OMP FLUSH(crystallite_todo)
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if (crystallite_todo(g,i,e)) then
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p = phaseAt(g,i,e)
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@ -2741,13 +2741,13 @@ subroutine crystallite_integrateStateFPI()
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do mySource = 1_pInt, phase_Nsources(p)
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NaN = NaN .or. any(IEEE_is_NaN(sourceState(p)%p(mySource)%dotState(:,c)))
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enddo
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if (NaN) then ! NaN occured in any dotState
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if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken is a non-local...
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if (NaN) then ! NaN occured in any dotState
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if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken is a non-local...
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!$OMP CRITICAL (checkTodo)
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crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals done (and broken)
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crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals done (and broken)
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!$OMP END CRITICAL (checkTodo)
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else ! broken one was local...
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crystallite_todo(g,i,e) = .false. ! ... done (and broken)
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else ! broken one was local...
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crystallite_todo(g,i,e) = .false. ! ... done (and broken)
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endif
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endif
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endif
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@ -3107,7 +3107,7 @@ logical function crystallite_stateJump(ipc,ip,el)
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plasticState(p)%deltaState(1:mySizePlasticDeltaState,c)
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do mySource = 1_pInt, phase_Nsources(p)
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mySizeSourceDeltaState = sourceState(p)%p(mySource)%sizeDeltaState
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if( any(IEEE_is_NaN(sourceState(p)%p(mySource)%deltaState(:,c)))) then ! NaN occured in deltaState
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if( any(IEEE_is_NaN(sourceState(p)%p(mySource)%deltaState(:,c)))) then ! NaN occured in deltaState
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crystallite_stateJump = .false.
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return
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endif
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@ -3179,7 +3179,9 @@ logical function crystallite_integrateStress(&
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aTol_crystalliteStress, &
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rTol_crystalliteStress, &
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iJacoLpresiduum, &
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numerics_integrationMode
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numerics_integrationMode, &
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subStepSizeLp, &
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subStepSizeLi
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use debug, only: debug_level, &
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debug_crystallite, &
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debug_levelBasic, &
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@ -3265,9 +3267,7 @@ logical function crystallite_integrateStress(&
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dLp_dT3333, &
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dLi_dT3333
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real(pReal) detInvFi, & ! determinant of InvFi
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steplengthLp0, &
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steplengthLp, &
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steplengthLi0, &
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steplengthLi, &
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dt, & ! time increment
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aTolLp, &
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@ -3353,8 +3353,7 @@ logical function crystallite_integrateStress(&
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NiterationStressLi = 0_pInt
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jacoCounterLi = 0_pInt
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steplengthLi0 = 1.0_pReal
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steplengthLi = steplengthLi0
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steplengthLi = 1.0_pReal
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residuumLi_old = 0.0_pReal
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LiLoop: do
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@ -3374,8 +3373,7 @@ logical function crystallite_integrateStress(&
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NiterationStressLp = 0_pInt
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jacoCounterLp = 0_pInt
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steplengthLp0 = 1.0_pReal
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steplengthLp = steplengthLp0
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steplengthLp = 1.0_pReal
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residuumLp_old = 0.0_pReal
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Lpguess_old = Lpguess
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@ -3428,8 +3426,8 @@ logical function crystallite_integrateStress(&
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!* update current residuum and check for convergence of loop
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aTolLp = max(rTol_crystalliteStress * max(norm2(Lpguess),norm2(Lp_constitutive)), & ! absolute tolerance from largest acceptable relative error
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aTol_crystalliteStress) ! minimum lower cutoff
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aTolLp = max(rTol_crystalliteStress * max(norm2(Lpguess),norm2(Lp_constitutive)), & ! absolute tolerance from largest acceptable relative error
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aTol_crystalliteStress) ! minimum lower cutoff
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residuumLp = Lpguess - Lp_constitutive
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if (any(IEEE_is_NaN(residuumLp))) then ! NaN in residuum...
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@ -3440,16 +3438,16 @@ logical function crystallite_integrateStress(&
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' ; iteration ', NiterationStressLp,&
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' >> returning..!'
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#endif
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return ! ...me = .false. to inform integrator about problem
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elseif (norm2(residuumLp) < aTolLp) then ! converged if below absolute tolerance
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exit LpLoop ! ...leave iteration loop
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return ! ...me = .false. to inform integrator about problem
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elseif (norm2(residuumLp) < aTolLp) then ! converged if below absolute tolerance
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exit LpLoop ! ...leave iteration loop
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elseif ( NiterationStressLp == 1_pInt &
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.or. norm2(residuumLp) < norm2(residuumLp_old)) then ! not converged, but improved norm of residuum (always proceed in first iteration)...
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residuumLp_old = residuumLp ! ...remember old values and...
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.or. norm2(residuumLp) < norm2(residuumLp_old)) then ! not converged, but improved norm of residuum (always proceed in first iteration)...
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residuumLp_old = residuumLp ! ...remember old values and...
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Lpguess_old = Lpguess
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steplengthLp = steplengthLp0 ! ...proceed with normal step length (calculate new search direction)
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else ! not converged and residuum not improved...
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steplengthLp = 0.5_pReal * steplengthLp ! ...try with smaller step length in same direction
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steplengthLp = 1.0_pReal ! ...proceed with normal step length (calculate new search direction)
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else ! not converged and residuum not improved...
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steplengthLp = subStepSizeLp * steplengthLp ! ...try with smaller step length in same direction
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Lpguess = Lpguess_old + steplengthLp * deltaLp
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cycle LpLoop
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endif
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@ -3530,9 +3528,9 @@ logical function crystallite_integrateStress(&
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.or. norm2(residuumLi) < norm2(residuumLi_old)) then ! not converged, but improved norm of residuum (always proceed in first iteration)...
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residuumLi_old = residuumLi ! ...remember old values and...
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Liguess_old = Liguess
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steplengthLi = steplengthLi0 ! ...proceed with normal step length (calculate new search direction)
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steplengthLi = 1.0_pReal ! ...proceed with normal step length (calculate new search direction)
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else ! not converged and residuum not improved...
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steplengthLi = 0.5_pReal * steplengthLi ! ...try with smaller step length in same direction
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steplengthLi = subStepSizeLi * steplengthLi ! ...try with smaller step length in same direction
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Liguess = Liguess_old + steplengthLi * deltaLi
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cycle LiLoop
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endif
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@ -923,12 +923,11 @@ subroutine materialpoint_postResults
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material_phase, &
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homogenization_Ngrains, &
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microstructure_crystallite
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use constitutive, only: &
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#ifdef FEM
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use constitutive, only: &
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constitutive_plasticity_maxSizePostResults, &
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constitutive_source_maxSizePostResults, &
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constitutive_source_maxSizePostResults
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#endif
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constitutive_postResults
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use crystallite, only: &
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#ifdef FEM
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crystallite_maxSizePostResults, &
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@ -42,6 +42,8 @@ module numerics
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subStepMinHomog = 1.0e-3_pReal, & !< minimum (relative) size of sub-step allowed during cutback in homogenization
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subStepSizeCryst = 0.25_pReal, & !< size of first substep when cutback in crystallite
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subStepSizeHomog = 0.25_pReal, & !< size of first substep when cutback in homogenization
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subStepSizeLp = 0.5_pReal, & !< size of first substep when cutback in Lp calculation
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subStepSizeLi = 0.5_pReal, & !< size of first substep when cutback in Li calculation
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stepIncreaseCryst = 1.5_pReal, & !< increase of next substep size when previous substep converged in crystallite
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stepIncreaseHomog = 1.5_pReal, & !< increase of next substep size when previous substep converged in homogenization
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rTol_crystalliteState = 1.0e-6_pReal, & !< relative tolerance in crystallite state loop
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@ -295,6 +297,10 @@ subroutine numerics_init
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subStepSizeCryst = IO_floatValue(line,chunkPos,2_pInt)
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case ('stepincreasecryst')
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stepIncreaseCryst = IO_floatValue(line,chunkPos,2_pInt)
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case ('substepsizelp')
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subStepSizeLp = IO_floatValue(line,chunkPos,2_pInt)
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case ('substepsizeli')
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subStepSizeLi = IO_floatValue(line,chunkPos,2_pInt)
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case ('substepminhomog')
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subStepMinHomog = IO_floatValue(line,chunkPos,2_pInt)
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case ('substepsizehomog')
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@ -515,6 +521,8 @@ subroutine numerics_init
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write(6,'(a24,1x,es8.1)') ' subStepMinCryst: ',subStepMinCryst
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write(6,'(a24,1x,es8.1)') ' subStepSizeCryst: ',subStepSizeCryst
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write(6,'(a24,1x,es8.1)') ' stepIncreaseCryst: ',stepIncreaseCryst
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write(6,'(a24,1x,es8.1)') ' subStepSizeLp: ',subStepSizeLp
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write(6,'(a24,1x,es8.1)') ' subStepSizeLi: ',subStepSizeLi
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write(6,'(a24,1x,i8)') ' nState: ',nState
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write(6,'(a24,1x,i8)') ' nStress: ',nStress
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write(6,'(a24,1x,es8.1)') ' rTol_crystalliteState: ',rTol_crystalliteState
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@ -643,6 +651,8 @@ subroutine numerics_init
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if (subStepMinCryst <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepMinCryst')
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if (subStepSizeCryst <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepSizeCryst')
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if (stepIncreaseCryst <= 0.0_pReal) call IO_error(301_pInt,ext_msg='stepIncreaseCryst')
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if (subStepSizeLp <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepSizeLp')
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if (subStepSizeLi <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepSizeLi')
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if (subStepMinHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepMinHomog')
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if (subStepSizeHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepSizeHomog')
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if (stepIncreaseHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='stepIncreaseHomog')
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