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Chemistry driver updates for building with GEOS-Chem 14.3
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Signed-off-by: Lizzie Lundgren <[email protected]>
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@lizziel
lizziel committed Dec 21, 2023
1 parent b5005c6 commit 39411ed
Showing 1 changed file with 36 additions and 44 deletions.
80 changes: 36 additions & 44 deletions src/chemistry/geoschem/chemistry.F90
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Original file line number Diff line number Diff line change
Expand Up @@ -252,7 +252,7 @@ subroutine chem_register
! Options needed by Init_State_Chm
IO%ITS_A_FULLCHEM_SIM = .True.
IO%LLinoz = .True.
IO%LPRT = .False.
IO%Verbose = .False.
IO%N_Advect = nTracers
DO I = 1, nTracers
IO%AdvectSpc_Name(I) = TRIM(tracerNames(I))
Expand Down Expand Up @@ -971,7 +971,6 @@ subroutine chem_init(phys_state, pbuf2d)
use geoschem_history_mod, only : HistoryExports_SetServices

! GEOS-Chem modules
use Chemistry_Mod, only : Init_Chemistry
use DiagList_Mod, only : Init_DiagList, Print_DiagList
use Drydep_Mod, only : depName, Ndvzind
use Error_Mod, only : Init_Error
Expand All @@ -983,6 +982,7 @@ subroutine chem_init(phys_state, pbuf2d)
use isorropiaII_Mod, only : Init_IsorropiaII
use Linear_Chem_Mod, only : Init_Linear_Chem
use Linoz_Mod, only : Linoz_Read
use Photolysis_Mod, only : Init_Photolysis
use PhysConstants, only : PI, PI_180, Re
use Pressure_Mod, only : Accept_External_ApBp
use State_Chm_Mod, only : Ind_
Expand Down Expand Up @@ -1135,7 +1135,7 @@ subroutine chem_init(phys_state, pbuf2d)
! First setup directories
Input_Opt%Chem_Inputs_Dir = TRIM(geoschem_cheminputs)
Input_Opt%SpcDatabaseFile = TRIM(speciesDB)
Input_Opt%FAST_JX_DIR = TRIM(geoschem_cheminputs)//'FAST_JX/v2020-02/'
Input_Opt%CLOUDJ_DIR = TRIM(geoschem_cheminputs)//'CLOUD_J/v2023-05/'

!----------------------------------------------------------
! CESM-specific input flags
Expand Down Expand Up @@ -1356,7 +1356,7 @@ subroutine chem_init(phys_state, pbuf2d)
ENDIF

! Set a flag to denote if we should print ND70 debug output
prtDebug = ( Input_Opt%LPRT .and. MasterProc )
prtDebug = ( Input_Opt%Verbose .and. MasterProc )

historyConfigFile = 'HISTORY.rc'
! This requires geoschem_config.yml and HISTORY.rc to be in the run directory
Expand Down Expand Up @@ -1572,17 +1572,19 @@ subroutine chem_init(phys_state, pbuf2d)
CALL Error_Stop( ErrMsg, ThisLoc )
ENDIF

IF ( Input_Opt%Its_A_FullChem_Sim .OR. &
Input_Opt%Its_An_Aerosol_Sim ) THEN
! This also initializes Fast-JX
CALL Init_Chemistry( Input_Opt = Input_Opt, &
State_Chm = State_Chm(BEGCHUNK), &
State_Diag = State_Diag(BEGCHUNK), &
State_Grid = State_Grid(BEGCHUNK), &
RC = RC )
! Initialize photolysis, including reading files for optical properties.
IF ( Input_Opt%ITS_A_FULLCHEM_SIM .or. &
Input_Opt%ITS_AN_AEROSOL_SIM ) THEN
DO I = BEGCHUNK, ENDCHUNK
CALL Init_Photolysis( Input_Opt = Input_Opt, &
State_Grid = State_Grid(I), &
State_Chm = State_Chm(I), &
State_Diag = State_Diag(I), &
RC = RC )
ENDDO

IF ( RC /= GC_SUCCESS ) THEN
ErrMsg = 'Error encountered in "Init_Chemistry"!'
ErrMsg = 'Error encountered in "Init_Photolysis"!'
CALL Error_Stop( ErrMsg, ThisLoc )
ENDIF
ENDIF
Expand Down Expand Up @@ -1840,14 +1842,12 @@ subroutine chem_timestep_tend( state, ptend, cam_in, cam_out, dT, pbuf, fh2o )
use GeosChem_History_Mod, only : HistoryExports_SetDataPointers, CopyGCStates2Exports

! GEOS-Chem modules
use Aerosol_Mod, only : Set_AerMass_Diagnostic
use Calc_Met_Mod, only : Set_Dry_Surface_Pressure, AirQnt
use Chemistry_Mod, only : Do_Chemistry
use CMN_FJX_MOD, only : ZPJ
use CMN_Size_Mod, only : NSURFTYPE, PTop
use Diagnostics_Mod, only : Zero_Diagnostics_StartOfTimestep, Set_Diagnostics_EndofTimestep
use Diagnostics_Mod, only : Set_AerMass_Diagnostic
use Drydep_Mod, only : Do_Drydep, DEPNAME, NDVZIND, Update_DryDepFreq
use FAST_JX_MOD, only : RXN_NO2, RXN_O3_1
use GC_Grid_Mod, only : SetGridFromCtr
use HCO_Interface_GC_Mod,only : Compute_Sflx_For_Vdiff
use Linear_Chem_Mod, only : TrID_GC, GC_Bry_TrID, NSCHEM
Expand All @@ -1862,7 +1862,7 @@ subroutine chem_timestep_tend( state, ptend, cam_in, cam_out, dT, pbuf, fh2o )
use Time_Mod, only : Accept_External_Date_Time
use Toms_Mod, only : Compute_Overhead_O3
use UCX_Mod, only : Set_H2O_Trac
use Unitconv_Mod, only : Convert_Spc_Units
use Unitconv_Mod, only : Convert_Spc_Units, KG_SPECIES_PER_KG_DRY_AIR, UNIT_STR
use Wetscav_Mod, only : Setup_Wetscav

REAL(r8), INTENT(IN) :: dT ! Time step
Expand Down Expand Up @@ -1990,7 +1990,7 @@ subroutine chem_timestep_tend( state, ptend, cam_in, cam_out, dT, pbuf, fh2o )
TYPE(Species), POINTER :: SpcInfo
TYPE(SfcMrObj), POINTER :: iSfcMrObj

CHARACTER(LEN=63) :: OrigUnit
INTEGER :: OrigUnit

REAL(r8) :: SlsData(PCOLS, PVER, nSls)

Expand Down Expand Up @@ -3641,13 +3641,14 @@ subroutine chem_timestep_tend( state, ptend, cam_in, cam_out, dT, pbuf, fh2o )
!-----------------------------------------------------------------------

! Use units of kg/m2 as State_Chm%Species to add emissions fluxes
CALL Convert_Spc_Units( Input_Opt = Input_Opt, &
State_Chm = State_Chm(LCHNK), &
State_Grid = State_Grid(LCHNK), &
State_Met = State_Met(LCHNK), &
OutUnit = 'kg/m2', &
RC = RC, &
OrigUnit = OrigUnit )
CALL Convert_Spc_Units( Input_Opt = Input_Opt, &
State_Chm = State_Chm(LCHNK), &
State_Grid = State_Grid(LCHNK), &
State_Met = State_Met(LCHNK), &
OutUnit = KG_SPECIES_PER_KG_DRY_AIR, &
OrigUnit = OrigUnit, &
RC = RC )


IF ( RC /= GC_SUCCESS ) THEN
ErrMsg = 'Error encountered in "Convert_Spc_Units"!'
Expand Down Expand Up @@ -3689,7 +3690,7 @@ subroutine chem_timestep_tend( state, ptend, cam_in, cam_out, dT, pbuf, fh2o )

call t_startf( 'chemdr' )

! Get the overhead column O3 for use with FAST-J
! Get the overhead column O3 for computing J-values
IF ( Input_Opt%Its_A_FullChem_Sim .OR. &
Input_Opt%Its_An_Aerosol_Sim ) THEN

Expand Down Expand Up @@ -3758,7 +3759,7 @@ subroutine chem_timestep_tend( state, ptend, cam_in, cam_out, dT, pbuf, fh2o )
ENDDO

! Reset photolysis rates
ZPJ = 0.0e+0_r8
State_Chm(LCHNK)%Phot%ZPJ = 0.0e+0_r8

! Perform chemistry
CALL Do_Chemistry( Input_Opt = Input_Opt, &
Expand All @@ -3781,9 +3782,9 @@ subroutine chem_timestep_tend( state, ptend, cam_in, cam_out, dT, pbuf, fh2o )
+ MMR_Beg(:nY,:nZ,iCO2)

! Make sure State_Chm(LCHNK) is back in kg/kg dry!
IF ( TRIM(State_Chm(LCHNK)%Spc_Units) /= 'kg/kg dry' ) THEN
Write(iulog,*) 'Current unit = ', TRIM(State_Chm(LCHNK)%Spc_Units)
Write(iulog,*) 'Expected unit = kg/ kg dry'
IF ( State_Chm(LCHNK)%Spc_Units /= KG_SPECIES_PER_KG_DRY_AIR ) THEN
Write(iulog,*) 'Current unit = ', TRIM(UNIT_STR(State_Chm(LCHNK)%Spc_Units))
Write(iulog,*) 'Expected unit = ', TRIM(UNIT_STR(KG_SPECIES_PER_KG_DRY_AIR))
CALL ENDRUN('Incorrect unit in GEOS-Chem State_Chm%Species')
ENDIF

Expand All @@ -3800,7 +3801,7 @@ subroutine chem_timestep_tend( state, ptend, cam_in, cam_out, dT, pbuf, fh2o )
CALL pbuf_get_field(pbuf_chnk, tmpIdx, pbuf_i)

! RXN_NO2: NO2 + hv --> NO + O
pbuf_i(:nY) = ZPJ(1,RXN_NO2,1,:nY)
pbuf_i(:nY) = State_Chm(LCHNK)%Phot%ZPJ(1,State_Chm(LCHNK)%Phot%RXN_NO2,1,:nY)

pbuf_chnk => NULL()
pbuf_i => NULL()
Expand All @@ -3815,7 +3816,7 @@ subroutine chem_timestep_tend( state, ptend, cam_in, cam_out, dT, pbuf, fh2o )
CALL pbuf_get_field(pbuf_chnk, tmpIdx, pbuf_i)

! RXN_O3_1: O3 + hv --> O2 + O
pbuf_i(:nY) = ZPJ(1,RXN_O3_1,1,:nY)
pbuf_i(:nY) = State_Chm(LCHNK)%Phot%ZPJ(1,State_Chm(LCHNK)%Phot%RXN_O3_1,1,:nY)
pbuf_chnk => NULL()
pbuf_i => NULL()
ENDIF
Expand Down Expand Up @@ -4037,9 +4038,9 @@ subroutine chem_timestep_tend( state, ptend, cam_in, cam_out, dT, pbuf, fh2o )
ENDDO

! Make sure State_Chm(LCHNK) is back in kg/kg dry!
IF ( TRIM(State_Chm(LCHNK)%Spc_Units) /= 'kg/kg dry' ) THEN
Write(iulog,*) 'Current unit = ', TRIM(State_Chm(LCHNK)%Spc_Units)
Write(iulog,*) 'Expected unit = kg/ kg dry'
IF ( State_Chm(LCHNK)%Spc_Units /= KG_SPECIES_PER_KG_DRY_AIR ) THEN
Write(iulog,*) 'Current unit = ', TRIM(UNIT_STR(State_Chm(LCHNK)%Spc_Units))
Write(iulog,*) 'Expected unit = ', TRIM(UNIT_STR(KG_SPECIES_PER_KG_DRY_AIR))
CALL ENDRUN('Incorrect unit in GEOS-Chem State_Chm%Species')
ENDIF

Expand Down Expand Up @@ -4264,9 +4265,7 @@ subroutine chem_final
use geoschem_history_mod, only : Destroy_HistoryConfig

! GEOS-Chem modules
use Aerosol_Mod, only : Cleanup_Aerosol
use Carbon_Mod, only : Cleanup_Carbon
use CMN_FJX_Mod, only : Cleanup_CMN_FJX
use Drydep_Mod, only : Cleanup_Drydep
use Dust_Mod, only : Cleanup_Dust
use Error_Mod, only : Cleanup_Error
Expand All @@ -4289,7 +4288,6 @@ subroutine chem_final

! Finalize GEOS-Chem

CALL Cleanup_Aerosol
CALL Cleanup_Carbon
CALL Cleanup_Drydep
CALL Cleanup_Dust
Expand All @@ -4308,12 +4306,6 @@ subroutine chem_final

CALL short_lived_species_final()

CALL Cleanup_CMN_FJX( RC )
IF ( RC /= GC_SUCCESS ) THEN
ErrMsg = 'Error encountered in "Cleanup_CMN_FJX"!'
CALL Error_Stop( ErrMsg, ThisLoc )
ENDIF

! Cleanup Input_Opt
CALL Cleanup_Input_Opt( Input_Opt, RC )

Expand Down

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