FireX: Merge with firemodels/master

Build/Scripts/set_compilers.sh

@@ -54,7 +54,11 @@ set_compiler_from_env_var COMP_CXX FIREMODELS_CXX set_COMP_CXX
 set_compiler_from_env_var COMP_FC FIREMODELS_FC set_COMP_FC
 
 # Determine compiler list based on build target
-if [[ "$FDS_BUILD_TARGET" == *"osx"* ]]; then
+if [[ "$FDS_BUILD_TARGET" == "ompi_intel"* ]]; then
+    select_compiler_from_system COMP_CC mpicc icx 
+    select_compiler_from_system COMP_CXX mpicxx icpx 
+    select_compiler_from_system COMP_FC mpifort 
+elif [[ "$FDS_BUILD_TARGET" == *"osx"* ]]; then
     select_compiler_from_system COMP_CC mpicc clang gcc
     select_compiler_from_system COMP_CXX mpicxx clang++ g++
     select_compiler_from_system COMP_FC mpifort

Manuals/Bibliography/commoncommands.tex

@@ -44,6 +44,7 @@
 \usepackage{geometry}
 \usepackage{relsize}
 \usepackage{longtable}
+\usepackage{xltabular}
 \usepackage{lscape}
 \usepackage{booktabs}
 \usepackage{colortbl}

Manuals/FDS_Verification_Guide/FDS_Verification_Guide.tex

@@ -2314,10 +2314,10 @@ \section{Ekman Layers (\texorpdfstring{\ct{ekman_}}{ekman\_})}
 
 \begin{figure}[ht]
    \centering
-   \includegraphics[height=2.2in]{../FDS_Validation_Guide/SCRIPT_FIGURES/Schoenberg_Ekman_Layers/ekman_neutral_winds}
+   \includegraphics[height=2.2in]{SCRIPT_FIGURES/ekman_neutral_winds}
    \begin{tabular*}{\textwidth}{l@{\extracolsep{\fill}}r}
-      \includegraphics[height=2.2in]{../FDS_Validation_Guide/SCRIPT_FIGURES/Schoenberg_Ekman_Layers/ekman_stable_winds} &
-      \includegraphics[height=2.2in]{../FDS_Validation_Guide/SCRIPT_FIGURES/Schoenberg_Ekman_Layers/ekman_unstable_winds}
+      \includegraphics[height=2.2in]{SCRIPT_FIGURES/ekman_stable_winds} &
+      \includegraphics[height=2.2in]{SCRIPT_FIGURES/ekman_unstable_winds}
    \end{tabular*}
    \caption[Schoenberg Ekman Layers]{\label{fig:ekman_layers} Comparison Ekman layer profiles for neutral (top), stable (bottom-left), and unstable (bottom-right) atmospheric boundary layers with the simulation results of Schoenberg \cite{Schoenberg:2004}.}
 \end{figure}

Source/chem.f90

@@ -928,13 +928,14 @@ SUBROUTINE CVODE_SERIAL(CC,ZZ_0, TMP_IN, TMP_UNMIX, PR_IN, ZETA0, TAU_MIX, CELL_
 END IF
 
 ! SET MAX ORDER
-MAXORD_C = 5
-IF (IS_EXPONENT_LT_1) MAXORD_C = 1
-IERR_C = FCVODESETMAXORD(CVODE_MEM, MAXORD_C)
-IF (IERR_C /= 0) THEN
-   WRITE(LU_ERR,*) 'ERROR IN FCVODESETMAXORD, IERR = ', IERR_C, '; HALTING'
-   STOP 1
-END IF
+IF (CVODE_ORDER > 0) THEN
+   MAXORD_C = CVODE_ORDER
+   IERR_C = FCVODESETMAXORD(CVODE_MEM, MAXORD_C)
+   IF (IERR_C /= 0) THEN
+      WRITE(LU_ERR,*) 'ERROR IN FCVODESETMAXORD, IERR = ', IERR_C, '; HALTING'
+      STOP 1
+   END IF
+ENDIF
 
 ! SET ERROR HANDLER
 IERR_C = FCVODESETERRHANDLERFN(CVODE_MEM, C_FUNLOC(FDS_CVODE_ERR_HANDLER), C_NULL_PTR)

Source/cons.f90

@@ -313,6 +313,8 @@ MODULE GLOBAL_CONSTANTS
 CHARACTER(FILE_LENGTH) :: VTK_DIR                                         !< Custom directory for output
 CHARACTER(FILE_LENGTH) :: WORKING_DIR                                     !< Current working directory for output
 CHARACTER(FILE_LENGTH) :: BINGEOM_DIR                                     !< Custom directory for writing binary geometry files
+CHARACTER(5) :: DECIMAL_SPECIFIER='POINT'                                 !< Use point or comma for real outputs
+CHARACTER(1) :: SEPARATOR                                                 !< Decimal point or comma
 
 ! Dates, version numbers, revision numbers
 
@@ -612,6 +614,9 @@ MODULE GLOBAL_CONSTANTS
 CHARACTER(FN_LENGTH)                             :: FN_PARAVIEW
 
 CHARACTER(9) :: FMT_R
+CHARACTER(25) :: REAL_LIST
+CHARACTER( 9) :: CHAR_LIST
+CHARACTER(11) :: INTG_LIST
 LOGICAL :: OUT_FILE_OPENED=.FALSE.
 #ifdef WITH_HDF5
 ! Total number of obst and geom patches in each mesh
@@ -961,7 +966,7 @@ MODULE CHEMCONS
 LOGICAL  :: DO_CHEM_LOAD_BALANCE = .FALSE.
 INTEGER  :: MAX_CVODE_SUBSTEPS=100000
 INTEGER  :: CVODE_MAX_TRY=4
-LOGICAL  :: IS_EXPONENT_LT_1 = .FALSE.
+INTEGER  :: CVODE_ORDER=0
 
 ! FOR WRITING CVODE SUBSTEPS
 LOGICAL  :: WRITE_CVODE_SUBSTEPS = .FALSE.

Source/fire.f90

@@ -1068,6 +1068,7 @@ SUBROUTINE CVODE(ZZ, TMP_IN, PRES_IN,  ZETA_IN, ZETA_OUT, TAU_MIX, CELL_MASS, IG
 ELSE
    IF (SIM_MODE .NE. DNS_MODE .AND. USE_MIXED_ZN_AFT_TMP) THEN
       CALL CALC_ADIABATIC_FLAME_TEMPERATURE(ZZ,TMP_IN,AFT)
+      IF (AFT < FINITE_RATE_MIN_TEMP) RETURN
       TMP_IN_MOD = MAX(TMP_IN,AFT) ! TO DO: Ideal would be a equilibrium temperature based on ZZ(:) and TMP_IN
    ENDIF   
 ENDIF
@@ -1183,13 +1184,17 @@ END SUBROUTINE CALC_ADIABATIC_FLAME_TEMPERATURE
 ! Calculate Reactants and products
 SUBROUTINE CALC_AFT_REAC_AND_PROD(ZZ,ZZ_REAC,ZZ_PROD)
 USE PHYSICAL_FUNCTIONS, ONLY: CALC_EQUIV_RATIO
-USE CHEMCONS, ONLY: I_FUEL,I_CO2,I_H2O,I_O2,I_N2
+USE CHEMCONS, ONLY: I_FUEL,I_CO2,I_H2O,I_O2,I_N2,USE_MIXED_ZN_AFT_TMP
+
 REAL(EB), INTENT(IN) :: ZZ(N_TRACKED_SPECIES)
 REAL(EB), INTENT(OUT) :: ZZ_REAC(N_TRACKED_SPECIES),ZZ_PROD(N_TRACKED_SPECIES)
 REAL(EB) :: EQUIV, X,Y,Z,A,B,C,D,E, SUM_ZZ
 
 
 CALL CALC_EQUIV_RATIO(ZZ(1:N_TRACKED_SPECIES), EQUIV)
+IF (SIM_MODE /= DNS_MODE .AND. USE_MIXED_ZN_AFT_TMP) THEN
+   EQUIV = MAX(1.0_EB,EQUIV)
+ENDIF
 
 ! Based on CxHyOz + a(O2+3.76N2) = bCO2 + cH2O + dCxHyOz + eO2 + 3.76aN2
 X=SPECIES_MIXTURE(I_FUEL)%ATOMS(6) !C

Source/func.f90

@@ -3761,7 +3761,7 @@ SUBROUTINE ALLOCATE_BOUNDARY_PROP2_ARRAYS
    B2_INDEX = M%NEXT_AVAILABLE_BOUNDARY_PROP2_SLOT
 ENDIF
 
-IF (B2_INDeX==0 .OR. B2_INDEX>M%N_BOUNDARY_PROP2_DIM) THEN  ! There are no open slots for boundary coordinates
+IF (B2_INDEX==0 .OR. B2_INDEX>M%N_BOUNDARY_PROP2_DIM) THEN  ! There are no open slots for boundary coordinates
    ALLOCATE(B2_DUMMY(1:M%N_BOUNDARY_PROP2_DIM+N_NEW_STORAGE_SLOTS))
    IF (M%N_BOUNDARY_PROP2_DIM>0) B2_DUMMY(1:M%N_BOUNDARY_PROP2_DIM) = M%BOUNDARY_PROP2(1:M%N_BOUNDARY_PROP2_DIM)
    CALL MOVE_ALLOC(B2_DUMMY,M%BOUNDARY_PROP2)

Source/hvac.f90

@@ -1301,9 +1301,11 @@ SUBROUTINE INIT_DUCT_NODE
 USE PHYSICAL_FUNCTIONS, ONLY: GET_ENTHALPY
 USE MATH_FUNCTIONS, ONLY: EVALUATE_RAMP
 REAL(EB) :: ZZ_GET(1:N_TRACKED_SPECIES) !< Species mass fraction array.
+REAL(EB) :: VF(1:N_TRACKED_SPECIES) !< Species volunme fraction array.
 REAL(EB) :: TNOW !< Current CPU time (s) used in computing length of time spent in HVAC routines.
 INTEGER :: NN,N
 TYPE(DUCTNODE_TYPE), POINTER :: DN
+TYPE(INITIALIZATION_TYPE), POINTER :: IN
 
 TNOW = CURRENT_TIME()
 
@@ -1336,11 +1338,18 @@ SUBROUTINE INIT_DUCT_NODE
 
    INIT_LOOP: DO N = 1,N_INIT
       IF (TRIM(INITIALIZATION(N)%NODE_ID)==TRIM(DN%ID)) THEN
-         DN%ZZ0 = INITIALIZATION(N)%MASS_FRACTION
-         IF (INITIALIZATION(N)%TEMPERATURE > 0._EB) THEN
-            DN%TMP0 = INITIALIZATION(N)%TEMPERATURE
-         ELSE
-            DN%TMP0 = DN%TMP
+         IN => INITIALIZATION(N)
+         IF (IN%VOLUME_FRACTIONS_SPECIFIED) THEN
+            VF(2:N_TRACKED_SPECIES) = IN%VOLUME_FRACTION(2:N_TRACKED_SPECIES)
+            VF(1) = 1._EB - SUM(VF)
+            DN%ZZ0 = VF(1:N_TRACKED_SPECIES)*SPECIES_MIXTURE(1:N_TRACKED_SPECIES)%MW / &
+                                          SUM(VF(1:N_TRACKED_SPECIES)*SPECIES_MIXTURE(1:N_TRACKED_SPECIES)%MW)
+         ELSEIF (IN%MASS_FRACTIONS_SPECIFIED) THEN
+            DN%ZZ0(2:N_TRACKED_SPECIES) = IN%MASS_FRACTION(2:N_TRACKED_SPECIES)
+            DN%ZZ0(1) = 1._EB - SUM(DN%ZZ0(2:N_TRACKED_SPECIES))
+         ENDIF       
+         IF (IN%TEMPERATURE > 0._EB) THEN
+            DN%TMP0 = IN%TEMPERATURE
          ENDIF
          EXIT INIT_LOOP
       ENDIF