Fixes to enable building in GEOSgcm

Signed-off-by: Lizzie Lundgren <elundgren@seas.harvard.edu>
geoschem · Feb 15, 2024 · ac1da8d · ac1da8d
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Showing 10 changed files with 19 additions and 14 deletions.
diff --git a/CHANGELOG.md b/CHANGELOG.md
@@ -11,6 +11,10 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
 
 ### Changed
 - Updated Harvard Cannon operational run scripts to use `huce_cascade` instead of `huce_intel`; also added `sapphire`
+- Changed exponent 'e' to 'd' for one entry in KPP to prevent precision error in external models
+
+### Fixed
+- Fixed unit conversions in GEOS-only code
 
 ## [14.3.0] - 2024-02-07
 ### Added

diff --git a/Interfaces/GCHP/Chem_GridCompMod.F90 b/Interfaces/GCHP/Chem_GridCompMod.F90
@@ -2075,6 +2075,7 @@ SUBROUTINE Run_( GC, Import, Export, Clock, Phase, RC )
     USE GEOS_AeroCoupler,        ONLY : GEOS_FillAeroBundle
     USE GEOS_CarbonInterface,    ONLY : GEOS_CarbonSetConc,        &
                                         GEOS_CarbonRunPhoto
+    USE UnitConv_Mod,            ONLY : KG_SPECIES_PER_KG_TOTAL_AIR
 #endif
 
 !

diff --git a/Interfaces/GEOS/Includes_After_Run.H b/Interfaces/GEOS/Includes_After_Run.H
@@ -55,7 +55,7 @@
      ! testing only
   !if(MAPL_am_I_Root()) write(*,*) 'Copied to internal: ',I,Int2Spc(I)%ID,trim(Int2Spc(I)%Name),MINVAL(State_Chm%Species(Int2Spc(I)%ID)%Conc(:,:,LM:1:-1)),MAXVAL(State_Chm%Species(Int2Spc(I)%ID)%Conc(:,:,LM:1:-1)),SUM(State_Chm%Species(Int2Spc(I)%ID)%Conc(:,:,LM:1:-1))/IM/JM/LM
   ENDDO
-  State_Chm%Spc_Units = 'kg/kg total'
+  State_Chm%Spc_Units = KG_SPECIES_PER_KG_TOTAL_AIR
 
   !=========================================================================
   ! Various other archived variables needed in internal state. 

diff --git a/Interfaces/GEOS/Includes_Before_Run.H b/Interfaces/GEOS/Includes_Before_Run.H
@@ -247,7 +247,7 @@
      ENDIF
      !IF ( MAPL_am_I_Root() ) WRITE(*,*) 'Copying from internal: ',I,Int2Spc(I)%ID,MINVAL(Int2Spc(I)%Internal(:,:,:)),MAXVAL(Int2Spc(I)%Internal(:,:,:)),SUM(Int2Spc(I)%Internal(:,:,:))/IM/JM/LM
   ENDDO
-  State_Chm%Spc_Units = 'kg/kg total'
+  State_Chm%Spc_Units = KG_SPECIES_PER_KG_TOTAL_AIR
 
   !=========================================================================
   ! Various other archived variables needed in internal state. Eventually,

diff --git a/Interfaces/GEOS/geos_CarbonInterface.F90 b/Interfaces/GEOS/geos_CarbonInterface.F90
@@ -504,7 +504,7 @@ SUBROUTINE GEOS_CarbonSetConc( Import,    Input_Opt,  State_Chm,  &
 !
     CHARACTER(LEN=*), PARAMETER  :: myname = 'GEOS_CarbonSetConc'
     CHARACTER(LEN=*), PARAMETER  :: Iam = myname    
-    CHARACTER(LEN=63)            :: OrigUnit
+    INTEGER                      :: OrigUnit
     INTEGER                      :: I, LM, indCO2, indCO, STATUS
     REAL, POINTER                :: CO2(:,:,:)  => null()
     REAL, POINTER                :: COmeso(:,:) => null()

diff --git a/Interfaces/GEOS/geos_interface.F90 b/Interfaces/GEOS/geos_interface.F90
@@ -278,7 +278,7 @@ SUBROUTINE GEOS_RATSandOxDiags( GC, Internal, Export, Input_Opt, State_Met, &
 !
 ! !USES:
 !
-    USE UnitConv_Mod,       ONLY : Convert_Spc_Units
+    USE UnitConv_Mod
 !
 ! !INPUT/OUTPUT PARAMETERS:
 !
@@ -326,7 +326,7 @@ SUBROUTINE GEOS_RATSandOxDiags( GC, Internal, Export, Input_Opt, State_Met, &
     REAL, POINTER                :: PTR_O1D(:,:,:)     => NULL()
     REAL, ALLOCATABLE            :: OXLOCAL(:,:,:)
     LOGICAL                      :: NeedO3
-    CHARACTER(LEN=ESMF_MAXSTR)   :: OrigUnit
+    INTEGER                      :: OrigUnit
 
     __Iam__('GEOS_RATSandOxDiags')
 
@@ -461,7 +461,7 @@ SUBROUTINE GEOS_SetH2O( GC, Input_Opt, State_Met, &
 !
 ! !USES:
 !
-    USE UnitConv_Mod,       ONLY : Convert_Spc_Units
+    USE UnitConv_Mod
 !
 ! !INPUT/OUTPUT PARAMETERS:
 !
@@ -488,8 +488,8 @@ SUBROUTINE GEOS_SetH2O( GC, Input_Opt, State_Met, &
 !
 ! LOCAL VARIABLES:
 !
-    INTEGER                      :: IndH2O, LM 
-    CHARACTER(LEN=ESMF_MAXSTR)   :: OrigUnit
+    INTEGER   :: IndH2O, LM 
+    INTEGER   :: OrigUnit
 
     __Iam__('GEOS_SetH2O')
 
@@ -1218,7 +1218,7 @@ SUBROUTINE GEOS_Diagnostics( GC, IMPORT,  EXPORT, Clock, Phase, &
 ! !USES:
 !
     USE Diagnostics_Mod,    ONLY : Set_Diagnostics_EndofTimestep
-    USE UnitConv_Mod,       ONLY : Convert_Spc_Units
+    USE UnitConv_Mod
 !
 ! !INPUT/OUTPUT PARAMETERS:
 !
@@ -1276,7 +1276,7 @@ SUBROUTINE GEOS_Diagnostics( GC, IMPORT,  EXPORT, Clock, Phase, &
     REAL, POINTER                :: LFR(:,:)      => NULL()
     REAL, POINTER                :: CNV_FRC(:,:)  => NULL()
 
-    CHARACTER(LEN=ESMF_MAXSTR)   :: OrigUnit
+    INTEGER                      :: OrigUnit
 
     __Iam__('GEOS_Diagnostics')
 

diff --git a/KPP/custom/custom.eqn b/KPP/custom/custom.eqn
@@ -707,7 +707,7 @@ HO2 + O = OH + O2 :                          GCARR_ac(3.00d-11, 200.0d0);
 O1D + O3 = O + 1.500O2 :                     2.40d-10;                                                                         {2014/02/03; Eastham2014; SDE}
 OCS + O = CO + SO2 :                         GCARR_ac(2.10d-11, -2200.0d0);                                                    {2014/02/03; Eastham2014; SDE}
 OCS + OH = CO2 + SO2 :                       GCARR_ac(7.20d-14, -1070.0d0);                                                    {2023/04/18; JPL 19-5; KHB}
-NO2 + O = NO + O2 :                          GCJPLAC_ababac(3.4e-31, 1.6d0, 2.3d-11, 0.2d0, 5.3d-12, 2.0d2, 0.6d0);            {2023/04/18; JPL 19-5; KHB}
+NO2 + O = NO + O2 :                          GCJPLAC_ababac(3.4d-31, 1.6d0, 2.3d-11, 0.2d0, 5.3d-12, 2.0d2, 0.6d0);            {2023/04/18; JPL 19-5; KHB}
 NO3 + O = NO2 + O2 :                         1.30d-11;                                                                         {2023/04/18; JPL 19-5; KHB}
 NO + O {+M} = NO2 {+M} :                     GCJPLPR_aba(9.00d-32, 1.5d+00, 3.0d-11, 0.6d0);                                   {2014/02/03; Eastham2014; SDE}
 NO2 + O {+M} = NO3 {+M} :                    GCJPLPR_abab(3.4d-31, 1.6d0, 2.3d-11, 0.2d0, 0.6d0);                              {2023/04/18; JPL 19-5; KHB}

diff --git a/KPP/fullchem/fullchem.eqn b/KPP/fullchem/fullchem.eqn
@@ -705,7 +705,7 @@ HO2 + O = OH + O2 :                          GCARR_ac(3.00d-11, 200.0d0);
 O1D + O3 = O + 1.500O2 :                     2.40d-10;                                                                         {2014/02/03; Eastham2014; SDE}
 OCS + O = CO + SO2 :                         GCARR_ac(2.10d-11, -2200.0d0);                                                    {2014/02/03; Eastham2014; SDE}
 OCS + OH = CO2 + SO2 :                       GCARR_ac(7.20d-14, -1070.0d0);                                                    {2023/04/18; JPL 19-5; KHB}
-NO2 + O = NO + O2 :                          GCJPLAC_ababac(3.4e-31, 1.6d0, 2.3d-11, 0.2d0, 5.3d-12, 2.0d2, 0.6d0);            {2023/04/18; JPL 19-5; KHB}
+NO2 + O = NO + O2 :                          GCJPLAC_ababac(3.4d-31, 1.6d0, 2.3d-11, 0.2d0, 5.3d-12, 2.0d2, 0.6d0);            {2023/04/18; JPL 19-5; KHB}
 NO3 + O = NO2 + O2 :                         1.30d-11;                                                                         {2023/04/18; JPL 19-5; KHB}
 NO + O {+M} = NO2 {+M} :                     GCJPLPR_aba(9.00d-32, 1.5d+00, 3.0d-11, 0.6d0);                                   {2014/02/03; Eastham2014; SDE}
 NO2 + O {+M} = NO3 {+M} :                    GCJPLPR_abab(3.4d-31, 1.6d0, 2.3d-11, 0.2d0, 0.6d0);                              {2023/04/18; JPL 19-5; KHB}

diff --git a/KPP/fullchem/gckpp_Rates.F90 b/KPP/fullchem/gckpp_Rates.F90
@@ -619,7 +619,7 @@ SUBROUTINE Update_RCONST ( )
   RCONST(186) = (2.40d-10)
   RCONST(187) = (GCARR_ac(2.10d-11,-2200.0d0))
   RCONST(188) = (GCARR_ac(7.20d-14,-1070.0d0))
-  RCONST(189) = (GCJPLAC_ababac(3.4e-31,1.6d0,2.3d-11,0.2d0,5.3d-12,2.0d2,0.6d0))
+  RCONST(189) = (GCJPLAC_ababac(3.4d-31,1.6d0,2.3d-11,0.2d0,5.3d-12,2.0d2,0.6d0))
   RCONST(190) = (1.30d-11)
   RCONST(191) = (GCJPLPR_aba(9.00d-32,1.5d+00,3.0d-11,0.6d0))
   RCONST(192) = (GCJPLPR_abab(3.4d-31,1.6d0,2.3d-11,0.2d0,0.6d0))

diff --git a/run/GEOS/geoschem_config.yml b/run/GEOS/geoschem_config.yml
@@ -61,7 +61,7 @@ operations:
     activate: true
     input_directories:
       fastjx_input_dir: /gpfsm/dnb52/projects/p10/dasilva/fvInput/ExtData/chemistry/GEOSCHEMchem/v0.0.0/CHEM_INPUTS/FAST_JX/v2023-10/
-      cloudj_input_dir: /discover/nobackup/ewlundgr/data/ExtData/CLOUD_J/v2023-05/
+      cloudj_input_dir: /gpfsm/dnb52/projects/p10/dasilva/fvInput/ExtData/chemistry/GEOSCHEMchem/v0.0.0/CHEM_INPUTS/CLOUD_J/v2023-05/
     overhead_O3:
       use_online_O3_from_model: true
       use_column_O3_from_met: true