Merge pull request #15533 from cxp484/master

FDS Source: Tabulate CVODE warning messages in verbose mode.

Author: cxp484

Source/chem.f90

@@ -807,6 +807,7 @@ SUBROUTINE CVODE_SERIAL(CC,ZZ_0, TMP_IN, TMP_UNMIX, PR_IN, ZETA0, TAU_MIX, CELL_
                         TMP_OUT, CHEM_TIME, WRITE_SUBSTEPS, CVODE_CALL_OPTION)
 USE PHYSICAL_FUNCTIONS, ONLY : MOLAR_CONC_TO_MASS_FRAC, CALC_EQUIV_RATIO, GET_ENTHALPY, GET_MOLECULAR_WEIGHT
 USE COMP_FUNCTIONS, ONLY: GET_FILE_NUMBER
+USE CHEMCONS, ONLY: CVODE_WARNING_CELLS,CVODE_ERR_CODE_MIN,CVODE_ERR_CODE_MAX
 USE GLOBAL_CONSTANTS
 USE FCVODE_MOD                 ! FORTRAN INTERFACE TO CVODE
 USE FSUNDIALS_CONTEXT_MOD      ! FORTRAN INTERFACE TO SUNCONTEXT
@@ -1015,15 +1016,18 @@ SUBROUTINE CVODE_SERIAL(CC,ZZ_0, TMP_IN, TMP_UNMIX, PR_IN, ZETA0, TAU_MIX, CELL_
    ENDIF
 
    IF (IERR_C .NE. CV_SUCCESS) THEN
-      IF (IERR_C == CV_TOO_MUCH_WORK) THEN
-         WRITE(LU_ERR,'(A, 2E18.8, I8, A)')" WARN: CVODE took all internal substeps. CUR_CFD_TIME, DT, MAXTRY=", CUR_CFD_TIME, &
-                     (TEND-TCUR), MAXTRY, ". If the warning persists, reduce the timestep."
-      ELSE
-         WRITE(LU_ERR,'(A, I4, A, 2E18.8, A)')" WARN: CVODE didn't finish ODE solution with message code:", IERR_C, &
-                        " and CUR_CFD_TIME, DT=", CUR_CFD_TIME, (TEND-TCUR), ". If the warning persists, reduce the timestep."
+      IF(IERR_C>=CVODE_ERR_CODE_MIN .AND. IERR_C<=CVODE_ERR_CODE_MAX) THEN
+         CVODE_WARNING_CELLS(IERR_C) = CVODE_WARNING_CELLS(IERR_C) + 1
       ENDIF   
-
       IF (DEBUG) THEN
+         IF (IERR_C == CV_TOO_MUCH_WORK) THEN
+            WRITE(LU_ERR,'(A, 2E18.8, I8, A)')" WARN: CVODE took all internal substeps. CUR_CFD_TIME, DT, MAXTRY=", CUR_CFD_TIME, &
+                        (TEND-TCUR), MAXTRY, ". If the warning persists, reduce the timestep."
+         ELSE
+            WRITE(LU_ERR,'(A, I4, A, 2E18.8, A)')" WARN: CVODE didn't finish ODE solution with message code:", IERR_C, &
+                           " and CUR_CFD_TIME, DT=", CUR_CFD_TIME, (TEND-TCUR), ". If the warning persists, reduce the timestep."
+         ENDIF
+
          CALL MOLAR_CONC_TO_MASS_FRAC(CC(1:N_TRACKED_SPECIES), ZZ(1:N_TRACKED_SPECIES))
          CALL CALC_EQUIV_RATIO(ZZ(1:N_TRACKED_SPECIES), EQUIV)
          DO NS = 1, N_TRACKED_SPECIES

Source/cons.f90

@@ -912,6 +912,10 @@ MODULE CHEMCONS
 INTEGER  :: MAX_CVODE_SUBSTEPS=100000
 INTEGER  :: CVODE_MAX_TRY=4
 INTEGER  :: CVODE_ORDER=0
+INTEGER  :: CVODE_ERR_CODE_MIN=-100
+INTEGER  :: CVODE_ERR_CODE_MAX=100
+INTEGER  :: CVODE_WARNING_CELLS(-100:100)! Index of the array is error code and value is Cell count
+CHARACTER(LEN=100) :: CVODE_WARN_MESSAGES(-100:100)
 
 ! FOR WRITING CVODE SUBSTEPS
 LOGICAL  :: WRITE_CVODE_SUBSTEPS = .FALSE.
@@ -932,4 +936,12 @@ MODULE CHEMCONS
 INTEGER :: N_IGNITION_ZONES = 0
 TYPE(IGNITION_ZONE_TYPE), DIMENSION(MAX_IGNITION_ZONES) :: IGNITION_ZONES !< Coordinates of ignition zones
 
+CONTAINS
+   SUBROUTINE INIT_CVODE_WARN_MESSAGES()
+      CVODE_WARN_MESSAGES = 'CVODE didn''t finish ODE solution with this code.'
+      CVODE_WARN_MESSAGES(-1) = 'CVODE took all internal substeps.'
+      CVODE_WARN_MESSAGES(-3) = 'Minimum step size was reached.'
+      CVODE_WARN_MESSAGES(-4) = 'Convergence test failure.'
+   END SUBROUTINE INIT_CVODE_WARN_MESSAGES
+
 END MODULE CHEMCONS

Source/fire.f90

@@ -41,6 +41,7 @@ SUBROUTINE COMBUSTION_LOAD_BALANCED(T,DT)
 
 USE SOOT_ROUTINES, ONLY: SOOT_SURFACE_OXIDATION
 USE COMP_FUNCTIONS, ONLY: CURRENT_TIME
+USE CHEMCONS, ONLY: CVODE_WARNING_CELLS,INIT_CVODE_WARN_MESSAGES
 REAL(EB), INTENT(IN) :: T,DT
 INTEGER :: NM,ICC,JCC
 REAL(EB) :: TNOW
@@ -55,12 +56,14 @@ SUBROUTINE COMBUSTION_LOAD_BALANCED(T,DT)
    COMBUSTION_INIT = .TRUE.
    NVAR_TO_SEND = N_TRACKED_SPECIES +7 ! NS, TEMP, RHO, PRES, MU, DELTA, VOL, IGN_ZN
    NVAR_TO_RECEIVE = N_TRACKED_SPECIES +4 ! NS, Q_OUT, MIX_TIME_OUT, CHI_R_OUT, CHEM_SUBIT_TMP_OUT
+   CALL INIT_CVODE_WARN_MESSAGES()
 ENDIF
 
 DO NM=LOWER_MESH_INDEX,UPPER_MESH_INDEX
    CALL POINT_TO_MESH(NM)
    Q     = 0._EB
    CHI_R = 0._EB
+   CVODE_WARNING_CELLS = 0
    IF (CC_IBM) THEN
       DO ICC=1,MESHES(NM)%N_CUTCELL_MESH
          DO JCC=1,CUT_CELL(ICC)%NCELL
@@ -109,6 +112,7 @@ SUBROUTINE COMBUSTION_GENERAL_LOAD_BALANCED(T,DT)
 REAL(EB) :: MIX_TIME_OUT, Q_OUT, CHI_R_OUT, MYTEMP, MYRHO, MYMU, DELTA, VOL, TNOW2
 INTEGER :: IGN_ZN
 
+
 Q_EXISTS =  .FALSE.
 
 !------
@@ -329,6 +333,13 @@ SUBROUTINE COMBUSTION_GENERAL_LOAD_BALANCED(T,DT)
    ENDDO
 ENDIF   
 
+! Output accumulated CVODE warnings (instead of cell by cell) in verbose mode
+#ifdef WITH_SUNDIALS
+IF (COMBUSTION_ODE_SOLVER == CVODE_SOLVER .AND. VERBOSE) THEN
+   CALL DUMP_CVODE_WARNING_SUMMARY(NCHEM_ACTIVE_CELLS_AND_CC)
+ENDIF
+#endif
+
 END SUBROUTINE COMBUSTION_GENERAL_LOAD_BALANCED
 
 
@@ -1269,6 +1280,60 @@ SUBROUTINE CALC_AFT_REAC_AND_PROD(ZZ,ZZ_REAC,ZZ_PROD)
 
 END SUBROUTINE CALC_AFT_REAC_AND_PROD
 
+!> \brief Dump CVODE warning summary
+SUBROUTINE DUMP_CVODE_WARNING_SUMMARY(NCHEM_ACTIVE_CELLS_AND_CC)
+   USE CHEMCONS, ONLY: CVODE_WARNING_CELLS,CVODE_ERR_CODE_MIN,CVODE_ERR_CODE_MAX,CVODE_WARN_MESSAGES
+
+   INTEGER, INTENT(IN) :: NCHEM_ACTIVE_CELLS_AND_CC
+   INTEGER :: NCHEM_ACTIVE_CELLS_AND_CC_GLOBAL,IERR, CVODE_ERR_CODE, TOT_WARN_CELLS
+   REAL(EB) :: PCNT
+   CHARACTER(LEN=16) :: CELL_STR, PCNT_STR
+   CHARACTER(LEN=40) :: CELL_INFO
+
+   IF (N_MPI_PROCESSES > 1) THEN
+      CALL MPI_ALLREDUCE(MPI_IN_PLACE, CVODE_WARNING_CELLS, SIZE(CVODE_WARNING_CELLS), &
+                         MPI_INTEGER, MPI_SUM, MPI_COMM_WORLD, IERR)
+
+      CALL MPI_ALLREDUCE(NCHEM_ACTIVE_CELLS_AND_CC, NCHEM_ACTIVE_CELLS_AND_CC_GLOBAL, &
+                         1, MPI_INTEGER, MPI_SUM, MPI_COMM_WORLD, IERR)
+   ELSE
+      NCHEM_ACTIVE_CELLS_AND_CC_GLOBAL = NCHEM_ACTIVE_CELLS_AND_CC
+   END IF
+   TOT_WARN_CELLS = SUM(CVODE_WARNING_CELLS)
+
+   IF (TOT_WARN_CELLS > 0 .AND. NCHEM_ACTIVE_CELLS_AND_CC_GLOBAL > 0 .AND. MY_RANK == 0) THEN
+
+      WRITE(LU_ERR, '(A)') '--------------- CVODE Warning Summary ----------------'
+      WRITE(LU_ERR, '(A)') ' Code     Cells (% Chem)             Message'
+      
+      DO CVODE_ERR_CODE = CVODE_ERR_CODE_MIN, CVODE_ERR_CODE_MAX
+         IF (CVODE_WARNING_CELLS(CVODE_ERR_CODE) > 0) THEN
+
+            PCNT = REAL(CVODE_WARNING_CELLS(CVODE_ERR_CODE)) / &
+                   REAL(NCHEM_ACTIVE_CELLS_AND_CC_GLOBAL) * 100.0_EB
+
+            ! Convert to strings and left-align
+            WRITE(CELL_STR, '(I0)') CVODE_WARNING_CELLS(CVODE_ERR_CODE)
+            WRITE(PCNT_STR, '(F6.2)') PCNT
+            CELL_STR = ADJUSTL(CELL_STR)
+            PCNT_STR = ADJUSTL(PCNT_STR)
+
+            ! Combine count + percentage into one left-aligned string
+            WRITE(CELL_INFO, '(A, " (", A, " %)")') TRIM(CELL_STR), TRIM(PCNT_STR)
+            CELL_INFO = ADJUSTL(CELL_INFO)
+
+            ! Print one line of summary
+            WRITE(LU_ERR, '(1X, I4, 5X, A, 5X, A)') CVODE_ERR_CODE, &
+                 TRIM(CELL_INFO), TRIM(CVODE_WARN_MESSAGES(CVODE_ERR_CODE))
+         END IF
+      END DO
+
+      WRITE(LU_ERR, '(A)') '------------------------------------------------------'
+
+   END IF
+
+END SUBROUTINE DUMP_CVODE_WARNING_SUMMARY
+
 #endif
 
 SUBROUTINE CHECK_AUTO_IGNITION(EXTINCT,TMP_IN,AIT,IIC,JJC,KKC,REAC_INDEX)