improved NaN checks
This commit is contained in:
Martin Diehl
parent
50998bd6a4
commit
5c1804e77d
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@ -530,9 +530,14 @@ DAMASK_interface.o: DAMASK_spectral_interface.f90 \
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# and no user-defined procedure with the same name as any intrinsic will be called except when it is explicitly declared external
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# --> allows the use of 'getcwd'
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prec.o: prec.f90
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$(PREFIX) $(COMPILERNAME) $(COMPILE) -c prec.f90 -fno-range-check $(SUFFIX)
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$(PREFIX) $(COMPILERNAME) $(COMPILE) -c prec.f90 -fno-range-check -fall-intrinsics -fno-fast-math $(SUFFIX)
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# fno-range-check: Disable range checking on results of simplification of constant expressions during compilation
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# --> allows the definition of DAMASK_NaN
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#-fall-intrinsics: all intrinsic procedures (including the GNU-specific extensions) are accepted. -Wintrinsics-std will be ignored
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# and no user-defined procedure with the same name as any intrinsic will be called except when it is explicitly declared external
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# --> allows the use of 'isnan'
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#-fno-fast-math:
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# --> otherwise, when setting -ffast-math, isnan always evaluates to false (I would call it a bug)
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else
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DAMASK_interface.o: DAMASK_spectral_interface.f90 \
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$(wildcard DAMASK_FEM_interface.f90) \
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@ -1,7 +1,7 @@
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!##############################################################
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!$Id$
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#ifdef __GFORTRAN__
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write(6,*) 'Compiled with ', compiler_version() !not supported by GFORTRAN 4.5 and ifort 12
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write(6,*) 'Compiled with ', compiler_version() !not supported by and ifort <= 15 (and old gfortran)
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write(6,*) 'With options ', compiler_options()
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#endif
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#ifdef __INTEL_COMPILER
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@ -1524,6 +1524,8 @@ end subroutine crystallite_stressAndItsTangent
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!> @brief integrate stress, state with 4th order explicit Runge Kutta method
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!--------------------------------------------------------------------------------------------------
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subroutine crystallite_integrateStateRK4()
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use prec, only: &
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prec_isNaN
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use numerics, only: &
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numerics_integrationMode
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use debug, only: &
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@ -1621,10 +1623,8 @@ subroutine crystallite_integrateStateRK4()
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if (crystallite_todo(g,i,e)) then
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c = mappingConstitutive(1,g,i,e)
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p = mappingConstitutive(2,g,i,e)
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if ( any(plasticState(p)%dotState(:,c) /= plasticState(p)%dotState(:,c)) .or.&
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any(damageState(p)%dotState(:,c) /= damageState(p)%dotState(:,c)) .or.&
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any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c)) .or.&
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any(vacancyState(p)%dotState(:,c) /= vacancyState(p)%dotState(:,c))) then ! NaN occured in dotState
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if ( any(prec_isNaN([plasticState(p)%dotState(:,c), damageState(p)%dotState(:,c), &
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thermalState(p)%dotState(:,c), vacancyState(p)%dotState(:,c)]))) 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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!$OMP CRITICAL (checkTodo)
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crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
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@ -1772,10 +1772,8 @@ subroutine crystallite_integrateStateRK4()
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p = mappingConstitutive(2,g,i,e)
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c = mappingConstitutive(1,g,i,e)
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if ( any(plasticState(p)%dotState(:,c) /= plasticState(p)%dotState(:,c)) .or.&
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any(damageState(p)%dotState(:,c) /= damageState(p)%dotState(:,c)) .or.&
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any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c)) .or.&
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any(vacancyState(p)%dotState(:,c) /= vacancyState(p)%dotState(:,c))) then ! NaN occured in dotState
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if (any(prec_isNaN([plasticState(p)%dotState(:,c), damageState(p)%dotState(:,c), &
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thermalState(p)%dotState(:,c), vacancyState(p)%dotState(:,c)]))) then ! NaN occured in any dotState
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if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
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!$OMP CRITICAL (checkTodo)
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crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
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@ -1824,6 +1822,8 @@ end subroutine crystallite_integrateStateRK4
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!> adaptive step size (use 5th order solution to advance = "local extrapolation")
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!--------------------------------------------------------------------------------------------------
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subroutine crystallite_integrateStateRKCK45()
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use prec, only: &
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prec_isNaN
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use debug, only: &
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debug_level, &
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debug_crystallite, &
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@ -1948,10 +1948,8 @@ subroutine crystallite_integrateStateRKCK45()
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if (crystallite_todo(g,i,e)) then
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cc = mappingConstitutive(1,g,i,e)
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p = mappingConstitutive(2,g,i,e)
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if ( any(plasticState(p)%dotState(:,cc) /= plasticState(p)%dotState(:,cc)) .or.&
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any(damageState(p)%dotState(:,cc) /= damageState(p)%dotState(:,cc)) .or.&
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any(thermalState(p)%dotState(:,cc) /= thermalState(p)%dotState(:,cc)) .or.&
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any(vacancyState(p)%dotState(:,cc) /= vacancyState(p)%dotState(:,cc))) then ! NaN occured in dotState
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if (any(prec_isNaN([plasticState(p)%dotState(:,cc), damageState(p)%dotState(:,cc), &
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thermalState(p)%dotState(:,cc), vacancyState(p)%dotState(:,cc)]))) 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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!$OMP CRITICAL (checkTodo)
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crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
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@ -2108,10 +2106,8 @@ subroutine crystallite_integrateStateRKCK45()
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p = mappingConstitutive(2,g,i,e)
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cc = mappingConstitutive(1,g,i,e)
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if ( any(plasticState(p)%dotState(:,cc) /= plasticState(p)%dotState(:,cc)) .or.&
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any(damageState(p)%dotState(:,cc) /= damageState(p)%dotState(:,cc)) .or.&
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any(thermalState(p)%dotState(:,cc) /= thermalState(p)%dotState(:,cc)) .or.&
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any(vacancyState(p)%dotState(:,cc) /= vacancyState(p)%dotState(:,cc))) then ! NaN occured in dotState
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if (any(prec_isNaN([plasticState(p)%dotState(:,cc), damageState(p)%dotState(:,cc), &
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thermalState(p)%dotState(:,cc), vacancyState(p)%dotState(:,cc)]))) then ! NaN occured in any dotState
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if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
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!$OMP CRITICAL (checkTodo)
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crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
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@ -2359,7 +2355,8 @@ end subroutine crystallite_integrateStateRKCK45
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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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subroutine crystallite_integrateStateAdaptiveEuler()
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use prec, only: &
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prec_isNaN
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use debug, only: &
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debug_level, &
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debug_crystallite, &
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@ -2470,10 +2467,8 @@ subroutine crystallite_integrateStateAdaptiveEuler()
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if (crystallite_todo(g,i,e)) then
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p = mappingConstitutive(2,g,i,e)
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c = mappingConstitutive(1,g,i,e)
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if ( any(plasticState(p)%dotState(:,c) /= plasticState(p)%dotState(:,c)) .or. &
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any(damageState( p)%dotState(:,c) /= damageState( p)%dotState(:,c)) .or. &
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any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c)) .or.&
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any(vacancyState(p)%dotState(:,c) /= vacancyState(p)%dotState(:,c))) then ! NaN occured in dotState
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if (any(prec_isNaN([plasticState(p)%dotState(:,c), damageState(p)%dotState(:,c), &
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thermalState(p)%dotState(:,c), vacancyState(p)%dotState(:,c)]))) 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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!$OMP CRITICAL (checkTodo)
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crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
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@ -2599,10 +2594,8 @@ subroutine crystallite_integrateStateAdaptiveEuler()
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if (crystallite_todo(g,i,e)) then
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p = mappingConstitutive(2,g,i,e)
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c = mappingConstitutive(1,g,i,e)
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if ( any(plasticState(p)%dotState(:,c) /= plasticState(p)%dotState(:,c)) .or.&
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any(damageState( p)%dotState(:,c) /= damageState( p)%dotState(:,c)) .or.&
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any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c)) .or.&
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any(vacancyState(p)%dotState(:,c) /= vacancyState(p)%dotState(:,c))) then ! NaN occured in dotState
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if (any(prec_isNaN([plasticState(p)%dotState(:,c), damageState(p)%dotState(:,c), &
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thermalState(p)%dotState(:,c), vacancyState(p)%dotState(:,c)]))) then ! NaN occured in any dotState
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if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
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!$OMP CRITICAL (checkTodo)
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crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
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@ -2749,6 +2742,8 @@ end subroutine crystallite_integrateStateAdaptiveEuler
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!> @brief integrate stress, and state with 1st order explicit Euler method
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!--------------------------------------------------------------------------------------------------
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subroutine crystallite_integrateStateEuler()
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use prec, only: &
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prec_isNaN
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use debug, only: &
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debug_level, &
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debug_crystallite, &
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@ -2828,10 +2823,8 @@ eIter = FEsolving_execElem(1:2)
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if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
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c = mappingConstitutive(1,g,i,e)
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p = mappingConstitutive(2,g,i,e)
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if ( any(plasticState(p)%dotState(:,c) /= plasticState(p)%dotState(:,c)) .or. &
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any(damageState( p)%dotState(:,c) /= damageState( p)%dotState(:,c)) .or. &
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any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c)) .or. &
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any(vacancyState(p)%dotState(:,c) /= vacancyState(p)%dotState(:,c))) then ! NaN occured in dotState
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if (any(prec_isNaN([plasticState(p)%dotState(:,c), damageState(p)%dotState(:,c), &
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thermalState(p)%dotState(:,c), vacancyState(p)%dotState(:,c)]))) then ! NaN occured in any dotState
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if (.not. crystallite_localPlasticity(g,i,e) .and. .not. numerics_timeSyncing) 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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@ -2975,6 +2968,8 @@ end subroutine crystallite_integrateStateEuler
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!> using Fixed Point Iteration to adapt the stepsize
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!--------------------------------------------------------------------------------------------------
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subroutine crystallite_integrateStateFPI()
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use prec, only: &
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prec_isNaN
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use debug, only: &
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debug_e, &
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debug_i, &
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@ -3116,11 +3111,8 @@ subroutine crystallite_integrateStateFPI()
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if (crystallite_todo(g,i,e)) then
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p = mappingConstitutive(2,g,i,e)
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c = mappingConstitutive(1,g,i,e)
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if ( any(plasticState(p)%dotState(:,c) /= plasticState(p)%dotState(:,c)) .or. &
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any(damageState( p)%dotState(:,c) /= damageState( p)%dotState(:,c)) .or. &
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any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c)) .or. &
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any(vacancyState(p)%dotState(:,c) /= vacancyState(p)%dotState(:,c))) then !NaN occured in dotState
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if (any(prec_isNaN([plasticState(p)%dotState(:,c), damageState(p)%dotState(:,c), &
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thermalState(p)%dotState(:,c), vacancyState(p)%dotState(:,c)]))) 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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@ -3237,10 +3229,8 @@ subroutine crystallite_integrateStateFPI()
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if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
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p = mappingConstitutive(2,g,i,e)
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c = mappingConstitutive(1,g,i,e)
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if ( any(plasticState(p)%dotState(:,c) /= plasticState(p)%dotState(:,c)) .or. &
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any(damageState( p)%dotState(:,c) /= damageState( p)%dotState(:,c)) .or. &
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any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c)) .or. &
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any(vacancyState(p)%dotState(:,c) /= vacancyState(p)%dotState(:,c))) then ! NaN occured in dotState
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if (any(prec_isNaN([plasticState(p)%dotState(:,c), damageState(p)%dotState(:,c), &
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thermalState(p)%dotState(:,c), vacancyState(p)%dotState(:,c)]))) then ! NaN occured in any dotState
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crystallite_todo(g,i,e) = .false. ! ... skip me next time
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if (.not. crystallite_localPlasticity(g,i,e)) then ! if me is non-local...
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!$OMP CRITICAL (checkTodo)
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@ -9,9 +9,13 @@
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!> @brief setting precision for real and int type depending on makros "FLOAT" and "INT"
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!> @details setting precision for real and int type and for DAMASK_NaN. Definition is made
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!! depending on makros "FLOAT" and "INT" defined during compilation
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!! for details on NaN see https://software.intel.com/en-us/forums/topic/294680
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!--------------------------------------------------------------------------------------------------
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module prec
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#ifndef __GFORTRAN__
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use, intrinsic :: & ! unfortunately not in commonly used gfortran versions
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IEEE_arithmetic
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#endif
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implicit none
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private
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@ -20,18 +24,16 @@ module prec
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SPECTRAL SOLVER AND OWN FEM DO NOT SUPPORT SINGLE PRECISION, STOPPING COMPILATION
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#endif
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integer, parameter, public :: pReal = 4 !< floating point single precition (was selected_real_kind(6,37), number with 6 significant digits, up to 1e+-37)
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#ifdef __INTEL_COMPILER
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real(pReal), parameter, public :: DAMASK_NaN = Z'7F800001' !< quiet NaN for single precision (from http://www.hpc.unimelb.edu.au/doc/f90lrm/dfum_035.html, copy can be found in documentation/Code/Fortran)
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#endif
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#ifdef __GFORTRAN__
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#ifndef __GFORTRAN__
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real(pReal), parameter, public :: DAMASK_NaN = IEEE_value(IEEE_quiet_NaN) !< quiet NaN
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#else
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real(pReal), parameter, public :: DAMASK_NaN = real(Z'7F800001', pReal) !< quiet NaN for single precision (from http://www.hpc.unimelb.edu.au/doc/f90lrm/dfum_035.html, copy can be found in documentation/Code/Fortran)
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#endif
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#elif (FLOAT==8)
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integer, parameter, public :: pReal = 8 !< floating point double precision (was selected_real_kind(15,300), number with 15 significant digits, up to 1e+-300)
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#ifdef __INTEL_COMPILER
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real(pReal), parameter, public :: DAMASK_NaN = Z'7FF8000000000000' !< quiet NaN for double precision (from http://www.hpc.unimelb.edu.au/doc/f90lrm/dfum_035.html, copy can be found in documentation/Code/Fortran)
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#endif
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#ifdef __GFORTRAN__
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#ifndef __GFORTRAN__
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real(pReal), parameter, public :: DAMASK_NaN = IEEE_value(IEEE_quiet_NaN) !< quiet NaN
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#else
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real(pReal), parameter, public :: DAMASK_NaN = real(Z'7FF8000000000000',pReal) !< quiet NaN for double precision (from http://www.hpc.unimelb.edu.au/doc/f90lrm/dfum_035.html, copy can be found in documentation/Code/Fortran)
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#endif
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#else
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@ -52,6 +54,7 @@ module prec
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type, public :: p_vec !< variable length datatype used for storage of state
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real(pReal), dimension(:), allocatable :: p
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end type p_vec
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type, public :: p_intvec
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integer(pInt), dimension(:), allocatable :: p
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end type p_intvec
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@ -66,7 +69,7 @@ type, public :: p_intvec
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nonlocal = .false. !< absolute tolerance for state integration
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real(pReal), allocatable, dimension(:) :: &
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atolState
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real(pReal), pointer, dimension(:,:) :: &
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real(pReal), pointer, dimension(:,:), contiguous :: & ! a pointer is needed here because we might point to state/doState. However, they will never point to something, but are rather allocated and, hence, contiguous
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state, & !< state
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dotState !< state rate
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real(pReal), allocatable, dimension(:,:) :: &
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@ -88,7 +91,7 @@ type, public :: p_intvec
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nSlip = 0_pInt , &
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nTwin = 0_pInt, &
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nTrans = 0_pInt
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real(pReal), pointer, dimension(:,:) :: &
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real(pReal), pointer, dimension(:,:), contiguous :: &
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slipRate, & !< slip rate
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accumulatedSlip !< accumulated plastic slip
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end type
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@ -112,15 +115,18 @@ type, public :: p_intvec
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#endif
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public :: &
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prec_init
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prec_init, &
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prec_isNaN
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contains
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!--------------------------------------------------------------------------------------------------
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!> @brief reporting precision and checking if DAMASK_NaN is set correctly
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!--------------------------------------------------------------------------------------------------
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subroutine prec_init
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
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use, intrinsic :: &
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iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
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implicit none
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integer(pInt) :: worldrank = 0_pInt
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@ -145,11 +151,29 @@ subroutine prec_init
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write(6,'(a,i3)') ' Bytes for pInt: ',pInt
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write(6,'(a,i3)') ' Bytes for pLongInt: ',pLongInt
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write(6,'(a,e10.3)') ' NaN: ', DAMASK_NaN
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write(6,'(a,l3,/)') ' NaN /= NaN: ',DAMASK_NaN/=DAMASK_NaN
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write(6,'(a,l3)') ' NaN != NaN: ',DAMASK_NaN /= DAMASK_NaN
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write(6,'(a,l3,/)') ' NaN check passed ',prec_isNAN(DAMASK_NaN)
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endif mainProcess
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if (DAMASK_NaN == DAMASK_NaN) call quit(9000)
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if ((.not. prec_isNaN(DAMASK_NaN)) .or. (DAMASK_NaN == DAMASK_NaN)) call quit(9000)
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end subroutine prec_init
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!--------------------------------------------------------------------------------------------------
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!> @brief figures out if a floating point number is NaN
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! basically just a small wrapper, because gfortran < 4.9 does not have the IEEE module
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!--------------------------------------------------------------------------------------------------
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logical elemental function prec_isNaN(a)
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implicit none
|
||||
real(pReal), intent(in) :: a
|
||||
|
||||
#ifndef __GFORTRAN__
|
||||
prec_isNaN = IEEE_is_NaN(a)
|
||||
#else
|
||||
prec_isNaN = isNaN(a)
|
||||
#endif
|
||||
end function prec_isNaN
|
||||
|
||||
end module prec
|
||||
|
|
|
|||
Loading…
Reference in New Issue