reverted handling of NaN in converged reason, seems to be a compiler bug

code/DAMASK_spectral_solverAL.f90

@@ -253,6 +253,8 @@ end subroutine AL_init
 !--------------------------------------------------------------------------------------------------
 type(tSolutionState) function &
   AL_solution(incInfoIn,guess,timeinc,timeinc_old,loadCaseTime,P_BC,F_BC,rotation_BC)
+ use IO, only: &
+   IO_error
  use numerics, only: &
    update_gamma
  use math, only: &
@@ -317,9 +319,8 @@ type(tSolutionState) function &
  CHKERRQ(ierr)
  AL_solution%termIll = terminallyIll
  terminallyIll = .false.
- AL_solution%converged = .true.
-
- if (reason < 1 .and. reason /= -4) AL_solution%converged = .false.                                 ! reason -4 (SNES_DIVERGED_FNORM_NAN) happens in case of homogeneous solution
+ if (reason == -4) call IO_error(893_pInt)
+ if (reason < 1) AL_solution%converged = .false.
  AL_solution%iterationsNeeded = totalIter
 
 end function AL_solution

code/DAMASK_spectral_solverBasicPETSc.f90

@@ -224,11 +224,12 @@ end subroutine basicPETSc_init
 !--------------------------------------------------------------------------------------------------
 !> @brief solution for the Basic PETSC scheme with internal iterations
 !--------------------------------------------------------------------------------------------------
-type(tSolutionState) function basicPETSc_solution( &
-     incInfoIn,guess,timeinc,timeinc_old,loadCaseTime,P_BC,F_BC,rotation_BC)
+type(tSolutionState) function &
+  basicPETSc_solution(incInfoIn,guess,timeinc,timeinc_old,loadCaseTime,P_BC,F_BC,rotation_BC)
+ use IO, only: &
+   IO_error
  use numerics, only: &
-   update_gamma, &
-   itmax
+   update_gamma
  use DAMASK_spectral_Utilities, only: &
    tBoundaryCondition, &
    Utilities_maskedCompliance, &
@@ -286,8 +287,8 @@ type(tSolutionState) function basicPETSc_solution( &
  basicPETSc_solution%termIll = terminallyIll
  terminallyIll = .false.
  BasicPETSc_solution%converged =.true.
-
- if (reason < 1 .and. reason /= -4) basicPETSC_solution%converged = .false.                         ! reason -4 (SNES_DIVERGED_FNORM_NAN) happens in case of homogeneous solution
+ if (reason == -4) call IO_error(893_pInt)
+ if (reason < 1) basicPETSC_solution%converged = .false.
  basicPETSC_solution%iterationsNeeded = totalIter
 
 end function BasicPETSc_solution
@@ -372,7 +373,7 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
  F_aim_lastIter = F_aim
  F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%P_BC)))                                        ! S = 0.0 for no bc
  err_stress = maxval(abs(mask_stress * (P_av - params%P_BC)))                                       ! mask = 0.0 for no bc
- 
+
 !--------------------------------------------------------------------------------------------------
 ! updated deformation gradient using fix point algorithm of basic scheme
  tensorField_real = 0.0_pReal

code/DAMASK_spectral_solverPolarisation.f90

@@ -252,6 +252,8 @@ end subroutine Polarisation_init
 !--------------------------------------------------------------------------------------------------
 type(tSolutionState) function &
   Polarisation_solution(incInfoIn,guess,timeinc,timeinc_old,loadCaseTime,P_BC,F_BC,rotation_BC)
+ use IO, only: &
+   IO_error
  use numerics, only: &
    update_gamma
  use math, only: &
@@ -316,9 +318,8 @@ type(tSolutionState) function &
  CHKERRQ(ierr)
  Polarisation_solution%termIll = terminallyIll
  terminallyIll = .false.
- Polarisation_solution%converged = .true.
-
- if (reason < 1 .and. reason /= -4) Polarisation_solution%converged = .false.                       ! reason -4 (SNES_DIVERGED_FNORM_NAN) happens in case of homogeneous solution
+ if (reason == -4) call IO_error(893_pInt)
+ if (reason < 1) Polarisation_solution%converged = .false.
  Polarisation_solution%iterationsNeeded = totalIter
 
 end function Polarisation_solution

code/DAMASK_spectral_utilities.f90

@@ -766,6 +766,8 @@ end function utilities_curlRMS
 !> @brief calculates mask compliance tensor used to adjust F to fullfill stress BC
 !--------------------------------------------------------------------------------------------------
 function utilities_maskedCompliance(rot_BC,mask_stress,C)
+ use prec, only: &
+   prec_isNaN
  use IO, only: &
    IO_error
  use numerics, only: &
@@ -799,7 +801,6 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
    allocate (c_reduced(size_reduced,size_reduced), source =0.0_pReal)
    allocate (s_reduced(size_reduced,size_reduced), source =0.0_pReal)
    allocate (sTimesC(size_reduced,size_reduced),   source =0.0_pReal)
-
    temp99_Real = math_Plain3333to99(math_rotate_forward3333(C,rot_BC))
 
    if(debugGeneral .and. worldrank == 0_pInt) then
@@ -820,6 +821,7 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
    endif; enddo; endif; enddo
 
    call math_invert(size_reduced, c_reduced, s_reduced, errmatinv)                                  ! invert reduced stiffness
+   if (any(prec_isNaN(s_reduced))) errmatinv = .true.
    if(errmatinv) call IO_error(error_ID=400_pInt,ext_msg='utilities_maskedCompliance')
    temp99_Real = 0.0_pReal                                                                          ! fill up compliance with zeros
     k = 0_pInt

code/IO.f90

@@ -1605,6 +1605,8 @@ subroutine IO_error(error_ID,el,ip,g,ext_msg)
    msg = 'Polar decomposition error'
  case (409_pInt)
    msg = 'math_check: R*v == q*v failed'
+ case (410_pInt)
+   msg = 'eigenvalues computation error'
  case (450_pInt)
    msg = 'unknown symmetry type specified'
 
@@ -1669,6 +1671,8 @@ subroutine IO_error(error_ID,el,ip,g,ext_msg)
    msg = 'unknown solver type selected'
  case (892_pInt)
    msg = 'unknown filter type selected'
+ case (893_pInt)
+   msg = 'PETSc: SNES_DIVERGED_FNORM_NAN'
    
 !-------------------------------------------------------------------------------------------------
 ! error messages related to parsing of Abaqus input file