sophisticasted error handling
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Martin Diehl
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5343aecd6f
commit
0ad1a14e3f
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@ -583,7 +583,7 @@ end function integrateStress
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!> @brief integrate stress, state with adaptive 1st order explicit Euler method
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!> using Fixed Point Iteration to adapt the stepsize
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!--------------------------------------------------------------------------------------------------
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function integrateStateFPI(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en) result(broken)
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function integrateStateFPI(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en) result(status)
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real(pREAL), intent(in),dimension(3,3) :: F_0,F,Fp0,Fi0
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real(pREAL), intent(in),dimension(:) :: state0
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@ -591,8 +591,7 @@ function integrateStateFPI(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en) result(broken)
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integer, intent(in) :: &
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ph, &
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en
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logical :: &
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broken
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integer(kind(STATUS_OK)) :: status
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integer :: &
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NiterationState, & !< number of iterations in state loop
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@ -606,7 +605,7 @@ function integrateStateFPI(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en) result(broken)
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dotState_last
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broken = .true.
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status = STATUS_FAILED_PHASE_STATE
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dotState = plastic_dotState(Delta_t,ph,en)
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if (any(IEEE_is_NaN(dotState))) return
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@ -619,8 +618,8 @@ function integrateStateFPI(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en) result(broken)
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dotState_last(1:sizeDotState,2) = merge(dotState_last(1:sizeDotState,1),0.0_pREAL, nIterationState > 1)
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dotState_last(1:sizeDotState,1) = dotState
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broken = STATUS_OK /= integrateStress(F,Fp0,Fi0,Delta_t,ph,en)
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if (broken) exit iteration
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status = integrateStress(F,Fp0,Fi0,Delta_t,ph,en)
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if (status /= STATUS_OK) exit iteration
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dotState = plastic_dotState(Delta_t,ph,en)
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if (any(IEEE_is_NaN(dotState))) exit iteration
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@ -634,7 +633,7 @@ function integrateStateFPI(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en) result(broken)
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plasticState(ph)%state(1:sizeDotState,en) = plasticState(ph)%state(1:sizeDotState,en) - r
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if (converged(r,plasticState(ph)%state(1:sizeDotState,en),plasticState(ph)%atol(1:sizeDotState))) then
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broken = STATUS_OK /= plastic_deltaState(ph,en)
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status = plastic_deltaState(ph,en)
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exit iteration
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end if
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@ -671,7 +670,7 @@ end function integrateStateFPI
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!--------------------------------------------------------------------------------------------------
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!> @brief integrate state with 1st order explicit Euler method
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!--------------------------------------------------------------------------------------------------
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function integrateStateEuler(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en) result(broken)
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function integrateStateEuler(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en) result(status)
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real(pREAL), intent(in),dimension(3,3) :: F_0,F,Fp0,Fi0
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real(pREAL), intent(in),dimension(:) :: state0
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@ -679,8 +678,8 @@ function integrateStateEuler(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en) result(broken)
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integer, intent(in) :: &
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ph, &
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en !< grain index in grain loop
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logical :: &
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broken
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integer(kind(STATUS_OK)) :: &
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status
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real(pREAL), dimension(plasticState(ph)%sizeDotState) :: &
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dotState
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@ -688,7 +687,7 @@ function integrateStateEuler(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en) result(broken)
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sizeDotState
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broken = .true.
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status = STATUS_FAILED_PHASE_STATE
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dotState = plastic_dotState(Delta_t,ph,en)
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if (any(IEEE_is_NaN(dotState))) return
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@ -696,10 +695,10 @@ function integrateStateEuler(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en) result(broken)
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sizeDotState = plasticState(ph)%sizeDotState
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plasticState(ph)%state(1:sizeDotState,en) = state0 + dotState*Delta_t
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broken = STATUS_OK /= plastic_deltaState(ph,en)
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if (broken) return
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status = plastic_deltaState(ph,en)
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if (status /= STATUS_OK) return
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broken = STATUS_OK /= integrateStress(F,Fp0,Fi0,Delta_t,ph,en)
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status = integrateStress(F,Fp0,Fi0,Delta_t,ph,en)
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end function integrateStateEuler
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@ -707,7 +706,7 @@ end function integrateStateEuler
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!--------------------------------------------------------------------------------------------------
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!> @brief integrate stress, state with 1st order Euler method with adaptive step size
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!--------------------------------------------------------------------------------------------------
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function integrateStateAdaptiveEuler(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en) result(broken)
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function integrateStateAdaptiveEuler(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en) result(status)
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real(pREAL), intent(in),dimension(3,3) :: F_0,F,Fp0,Fi0
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real(pREAL), intent(in),dimension(:) :: state0
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@ -715,8 +714,8 @@ function integrateStateAdaptiveEuler(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en) result(
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integer, intent(in) :: &
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ph, &
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en
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logical :: &
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broken
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integer(kind(STATUS_OK)) :: &
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status
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integer :: &
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sizeDotState
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@ -725,7 +724,7 @@ function integrateStateAdaptiveEuler(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en) result(
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dotState
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broken = .true.
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status = STATUS_FAILED_PHASE_STATE
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dotState = plastic_dotState(Delta_t,ph,en)
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if (any(IEEE_is_NaN(dotState))) return
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@ -735,18 +734,21 @@ function integrateStateAdaptiveEuler(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en) result(
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r = - dotState * 0.5_pREAL * Delta_t
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plasticState(ph)%state(1:sizeDotState,en) = state0 + dotState*Delta_t
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broken = STATUS_OK /= plastic_deltaState(ph,en)
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if (broken) return
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status = plastic_deltaState(ph,en)
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if (status /= STATUS_OK) return
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broken = STATUS_OK /= integrateStress(F,Fp0,Fi0,Delta_t,ph,en)
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if (broken) return
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status = integrateStress(F,Fp0,Fi0,Delta_t,ph,en)
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if (status /= STATUS_OK) return
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dotState = plastic_dotState(Delta_t,ph,en)
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! ToDo: MD: need to set status to failed
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if (any(IEEE_is_NaN(dotState))) return
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broken = .not. converged(r + 0.5_pREAL * dotState * Delta_t, &
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status = merge(STATUS_OK, &
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STATUS_FAILED_PHASE_STATE, &
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converged(r + 0.5_pREAL * dotState * Delta_t, &
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plasticState(ph)%state(1:sizeDotState,en), &
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plasticState(ph)%atol(1:sizeDotState))
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plasticState(ph)%atol(1:sizeDotState)))
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end function integrateStateAdaptiveEuler
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@ -754,13 +756,13 @@ end function integrateStateAdaptiveEuler
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!---------------------------------------------------------------------------------------------------
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!> @brief Integrate state (including stress integration) with the classic Runge Kutta method
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!---------------------------------------------------------------------------------------------------
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function integrateStateRK4(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en) result(broken)
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function integrateStateRK4(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en) result(status)
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real(pREAL), intent(in),dimension(3,3) :: F_0,F,Fp0,Fi0
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real(pREAL), intent(in),dimension(:) :: state0
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real(pREAL), intent(in) :: Delta_t
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integer, intent(in) :: ph, en
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logical :: broken
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integer(kind(STATUS_OK)) :: status
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real(pREAL), dimension(3,3), parameter :: &
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A = reshape([&
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@ -774,7 +776,7 @@ function integrateStateRK4(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en) result(broken)
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B = [6.0_pREAL, 3.0_pREAL, 3.0_pREAL, 6.0_pREAL]**(-1)
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broken = integrateStateRK(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en,A,B,C)
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status = integrateStateRK(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en,A,B,C)
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end function integrateStateRK4
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@ -782,13 +784,13 @@ end function integrateStateRK4
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!---------------------------------------------------------------------------------------------------
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!> @brief Integrate state (including stress integration) with the Cash-Carp method
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!---------------------------------------------------------------------------------------------------
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function integrateStateRKCK45(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en) result(broken)
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function integrateStateRKCK45(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en) result(status)
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real(pREAL), intent(in),dimension(3,3) :: F_0,F,Fp0,Fi0
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real(pREAL), intent(in),dimension(:) :: state0
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real(pREAL), intent(in) :: Delta_t
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integer, intent(in) :: ph, en
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logical :: broken
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integer(kind(STATUS_OK)) :: status
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real(pREAL), dimension(5,5), parameter :: &
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A = reshape([&
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@ -809,7 +811,7 @@ function integrateStateRKCK45(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en) result(broken)
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13525.0_pREAL/55296.0_pREAL, 277.0_pREAL/14336.0_pREAL, 1._pREAL/4._pREAL]
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broken = integrateStateRK(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en,A,B,C,DB)
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status = integrateStateRK(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en,A,B,C,DB)
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end function integrateStateRKCK45
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@ -818,7 +820,7 @@ end function integrateStateRKCK45
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!> @brief Integrate state (including stress integration) with an explicit Runge-Kutta method or an
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!! embedded explicit Runge-Kutta method
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!--------------------------------------------------------------------------------------------------
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function integrateStateRK(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en,A,B,C,DB) result(broken)
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function integrateStateRK(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en,A,B,C,DB) result(status)
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real(pREAL), intent(in),dimension(3,3) :: F_0,F,Fp0,Fi0
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real(pREAL), intent(in),dimension(:) :: state0
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@ -829,7 +831,7 @@ function integrateStateRK(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en,A,B,C,DB) result(br
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integer, intent(in) :: &
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ph, &
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en
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logical :: broken
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integer(kind(STATUS_OK)) :: status
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integer :: &
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stage, & ! stage index in integration stage loop
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@ -841,7 +843,7 @@ function integrateStateRK(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en,A,B,C,DB) result(br
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plastic_RKdotState
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broken = .true.
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status = STATUS_FAILED_PHASE_STATE
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dotState = plastic_dotState(Delta_t,ph,en)
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if (any(IEEE_is_NaN(dotState))) return
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@ -859,14 +861,15 @@ function integrateStateRK(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en,A,B,C,DB) result(br
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plasticState(ph)%state(1:sizeDotState,en) = state0 + dotState*Delta_t
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broken = STATUS_OK /= integrateStress(F_0+(F-F_0)*Delta_t*C(stage),Fp0,Fi0,Delta_t*C(stage), ph,en)
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if (broken) exit
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status = integrateStress(F_0+(F-F_0)*Delta_t*C(stage),Fp0,Fi0,Delta_t*C(stage), ph,en)
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if (status /= STATUS_OK) return
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dotState = plastic_dotState(Delta_t*C(stage), ph,en)
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! ToDo: MD: need to set status to failed
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if (any(IEEE_is_NaN(dotState))) exit
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end do
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if (broken) return
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if (status /= STATUS_OK) return
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plastic_RKdotState(1:sizeDotState,size(B)) = dotState
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@ -874,16 +877,18 @@ function integrateStateRK(F_0,F,Fp0,Fi0,state0,Delta_t,ph,en,A,B,C,DB) result(br
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plasticState(ph)%state(1:sizeDotState,en) = state0 + dotState*Delta_t
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if (present(DB)) &
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broken = .not. converged(matmul(plastic_RKdotState(1:sizeDotState,1:size(DB)),DB) * Delta_t, &
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status = merge(STATUS_OK, &
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STATUS_FAILED_PHASE_STATE, &
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converged(matmul(plastic_RKdotState(1:sizeDotState,1:size(DB)),DB) * Delta_t, &
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plasticState(ph)%state(1:sizeDotState,en), &
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plasticState(ph)%atol(1:sizeDotState))
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plasticState(ph)%atol(1:sizeDotState)))
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if (broken) return
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if (status /= STATUS_OK) return
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broken = STATUS_OK /= plastic_deltaState(ph,en)
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if (broken) return
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status = plastic_deltaState(ph,en)
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if (status /= STATUS_OK) return
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broken = STATUS_OK /= integrateStress(F,Fp0,Fi0,Delta_t,ph,en)
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status = integrateStress(F,Fp0,Fi0,Delta_t,ph,en)
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end function integrateStateRK
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@ -1062,7 +1067,7 @@ module function phase_mechanical_constitutive(Delta_t,co,ce) result(converged_)
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sizeDotState = plasticState(ph)%sizeDotState
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F = F0 &
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+ step * (phase_mechanical_F(ph)%data(1:3,1:3,en) - phase_mechanical_F0(ph)%data(1:3,1:3,en))
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converged_ = .not. integrateState(F0,F,Fp0,Fi0,state0(1:sizeDotState),step * Delta_t,ph,en)
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converged_ = STATUS_OK == integrateState(F0,F,Fp0,Fi0,state0(1:sizeDotState),step * Delta_t,ph,en)
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end if
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end do cutbackLooping
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