Explicitly define tagCH4 simulations instead of making assumption based on number of species #1799

msulprizio · 2023-05-16T16:54:47Z

Name and Institution (Required)

Name: Melissa Sulprizio
Institution: Harvard/GCST

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Describe the update

This PR removes use of Input_Opt%LSPLIT for CH4 simulations. Instead, we now explicitly set Input_Opt%ITS_A_TAG_CH4_SIM when using the tagCH4 simulation. This allows for greater flexibility to add more species to the CH4 simulation for the IMI (and other research purposes).

Also in this PR references to LSPLIT and Hg categories have been removed from Hg code to avoid confusion. The tagHg option is not supported at this time.

Expected changes

This is a zero difference update.

Related Github Issue(s)

Closes #1798

Previously, if CH4 simulations included more than one advected species it was assumed a tagCH4 simulation. This would set Input_Opt%LSPLIT to true for CH4 simulations. However, for IMI development we need to allow for more than one CH4 species thus breaking this assumption. To avoid issues, we now have a Input_Opt%ITS_A_TAGCH4_SIM to explicitly identify simulations as tagCH4. Reference to LSPLIT for CH4 simulations has been removed. In input_mod.F90 and input_opt_mod.F90 the lines for ITS_A_*_SIM have been reordered so they are in alphabetical order. Signed-off-by: Melissa Sulprizio <mpayer@seas.harvard.edu>

The tagHg simulation is not currently supported, so references to LSPLIT and Hg_Cat* have been removed from the Hg code. Signed-off-by: Melissa Sulprizio <mpayer@seas.harvard.edu>

yantosca

This PR just needs an update to the CHANGELOG.md and is good to go. It removes the use of LSPLIT, which can be confusing.

yantosca

I will approve so that you can merge as soon as the CHANGELOG is updated.

Signed-off-by: Melissa Sulprizio <mpayer@seas.harvard.edu>

msulprizio · 2023-05-16T17:18:34Z

Thanks @yantosca. The CHANGELOG.md has now been updated.

Note: This PR can go into 14.2.1 or 14.3.0.

When copying CH4_EMIS into eflx in hco_intergace_gc_mod.F90, it was automatically assumed that if NA (number of advected species) > 1 then it was a tagged CH4 simulation and to copy the sector-specific emissions. However, we want to allow for flexibility to run with more than one CH4 tracer in a non-tagCH4 simulation so we specifically split off the code for CH4 and tagCH4 simulations with IF statements. Signed-off-by: Melissa Sulprizio <mpayer@seas.harvard.edu>

yantosca

Looks good!

yantosca · 2023-07-06T17:33:19Z

After merging on top of PR #1843, all GEOS-Chem Classic integration tests passed (except for TOMAS which will be fixed later):

==============================================================================
GEOS-Chem Classic: Execution Test Results

GCClassic #5377e28 GEOS-Chem submod update: PR #1843 + post-merge fixes
GEOS-Chem #05bbc3ff1 PR #1799 post-merge bug fix: Fix syntax error in hco_interface_mod.F90
HEMCO     #faaddbb Merge PR #220 (branch 'feature/add_geosit_as_met_option') into dev/3.7.0

Using 24 OpenMP threads
Number of execution tests: 26

Submitted as SLURM job: 61541865
==============================================================================
 
Execution tests:
------------------------------------------------------------------------------
gc_05x0625_NA_47L_merra2_CH4........................Execute Simulation....PASS
gc_05x0625_NA_47L_merra2_fullchem...................Execute Simulation....PASS
gc_4x5_47L_merra2_fullchem..........................Execute Simulation....PASS
gc_4x5_47L_merra2_fullchem_TOMAS15..................Execute Simulation....FAIL
gc_4x5_47L_merra2_fullchem_TOMAS40..................Execute Simulation....FAIL
gc_4x5_merra2_aerosol...............................Execute Simulation....PASS
gc_4x5_merra2_carbon................................Execute Simulation....PASS
gc_4x5_merra2_CH4...................................Execute Simulation....PASS
gc_4x5_merra2_CO2...................................Execute Simulation....PASS
gc_4x5_merra2_fullchem..............................Execute Simulation....PASS
gc_4x5_merra2_fullchem_aciduptake...................Execute Simulation....PASS
gc_4x5_merra2_fullchem_APM..........................Execute Simulation....PASS
gc_4x5_merra2_fullchem_benchmark....................Execute Simulation....PASS
gc_4x5_merra2_fullchem_complexSOA...................Execute Simulation....PASS
gc_4x5_merra2_fullchem_complexSOA_SVPOA.............Execute Simulation....PASS
gc_4x5_merra2_fullchem_LuoWd........................Execute Simulation....PASS
gc_4x5_merra2_fullchem_marinePOA....................Execute Simulation....PASS
gc_4x5_merra2_fullchem_RRTMG........................Execute Simulation....PASS
gc_4x5_merra2_Hg....................................Execute Simulation....PASS
gc_4x5_merra2_metals................................Execute Simulation....PASS
gc_4x5_merra2_POPs_BaP..............................Execute Simulation....PASS
gc_4x5_merra2_tagCH4................................Execute Simulation....PASS
gc_4x5_merra2_tagCO.................................Execute Simulation....PASS
gc_4x5_merra2_tagO3.................................Execute Simulation....PASS
gc_4x5_merra2_TransportTracers......................Execute Simulation....PASS
gc_4x5_merra2_TransportTracers_LuoWd................Execute Simulation....PASS
 
Summary of test results:
------------------------------------------------------------------------------
Execution tests passed: 24
Execution tests failed: 2
Execution tests not yet completed: 0

Also the integration tests (except for those with parallelization issue as described in #1682) are all identical to PR #1843.

Checking gc_05x0625_NA_47L_merra2_CH4
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_05x0625_NA_47L_merra2_fullchem
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_47L_merra2_fullchem
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_47L_merra2_fullchem_TOMAS15
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_47L_merra2_fullchem_TOMAS40
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_aerosol
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_carbon
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_CH4
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_CO2
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_fullchem
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_fullchem_aciduptake
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_fullchem_APM
   -> 3 differences found in OutputDir
      * GCC_14.2.1_r2/rundirs/gc_4x5_merra2_fullchem_APM/OutputDir/GEOSChem.Metrics.20190701_0000z.nc4 
        GCC_14.2.1_r3/rundirs/gc_4x5_merra2_fullchem_APM/OutputDir/GEOSChem.Metrics.20190701_0000z.nc4 
      * GCC_14.2.1_r2/rundirs/gc_4x5_merra2_fullchem_APM/OutputDir/GEOSChem.SpeciesConc.20190701_0000z.nc4 
        GCC_14.2.1_r3/rundirs/gc_4x5_merra2_fullchem_APM/OutputDir/GEOSChem.SpeciesConc.20190701_0000z.nc4 
      * GCC_14.2.1_r2/rundirs/gc_4x5_merra2_fullchem_APM/OutputDir/HEMCO_diagnostics.201907010000.nc 
        GCC_14.2.1_r3/rundirs/gc_4x5_merra2_fullchem_APM/OutputDir/HEMCO_diagnostics.201907010000.nc 
   -> 1 difference found in Restarts
      * GCC_14.2.1_r2/rundirs/gc_4x5_merra2_fullchem_APM/Restarts/GEOSChem.Restart.20190701_0100z.nc4 
        GCC_14.2.1_r3/rundirs/gc_4x5_merra2_fullchem_APM/Restarts/GEOSChem.Restart.20190701_0100z.nc4 

Checking gc_4x5_merra2_fullchem_benchmark
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_fullchem_complexSOA
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_fullchem_complexSOA_SVPOA
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_fullchem_LuoWd
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_fullchem_marinePOA
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_fullchem_RRTMG
   -> 1 difference found in OutputDir
      * GCC_14.2.1_r2/rundirs/gc_4x5_merra2_fullchem_RRTMG/OutputDir/GEOSChem.RRTMG.20190701_0000z.nc4 
        GCC_14.2.1_r3/rundirs/gc_4x5_merra2_fullchem_RRTMG/OutputDir/GEOSChem.RRTMG.20190701_0000z.nc4 
   -> No differences in Restarts

Checking gc_4x5_merra2_Hg
   -> 1 difference found in OutputDir
      * GCC_14.2.1_r2/rundirs/gc_4x5_merra2_Hg/OutputDir/GEOSChem.SpeciesConc.20190101_0000z.nc4 
        GCC_14.2.1_r3/rundirs/gc_4x5_merra2_Hg/OutputDir/GEOSChem.SpeciesConc.20190101_0000z.nc4 
   -> 1 difference found in Restarts
      * GCC_14.2.1_r2/rundirs/gc_4x5_merra2_Hg/Restarts/GEOSChem.Restart.20190101_0100z.nc4 
        GCC_14.2.1_r3/rundirs/gc_4x5_merra2_Hg/Restarts/GEOSChem.Restart.20190101_0100z.nc4 

Checking gc_4x5_merra2_metals
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_POPs_BaP
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_tagCH4
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_tagCO
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_tagO3
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_TransportTracers
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_TransportTracers_LuoWd
   -> No differences in OutputDir
   -> No differences in Restarts

yantosca · 2023-07-06T17:35:42Z

After merging on top of PR #1843, all GCHP integration tests passed:

==============================================================================
GCHP: Execution Test Results

GCClassic #f8ffb5d GEOS-Chem submod update: PR #1843 + post-merge fixes
GEOS-Chem #05bbc3ff1 PR #1799 post-merge bug fix: Fix syntax error in hco_interface_mod.F90
HEMCO     #faaddbb Merge PR #220 (branch 'feature/add_geosit_as_met_option') into dev/3.7.0

Number of execution tests: 5

Submitted as SLURM job: 61541550
==============================================================================
 
Execution tests:
------------------------------------------------------------------------------
gchp_merra2_fullchem................................Execute Simulation....PASS
gchp_merra2_fullchem_benchmark......................Execute Simulation....PASS
gchp_merra2_fullchem_RRTMG..........................Execute Simulation....PASS
gchp_merra2_tagO3...................................Execute Simulation....PASS
gchp_merra2_TransportTracers........................Execute Simulation....PASS
 
Summary of test results:
------------------------------------------------------------------------------
Execution tests passed: 5
Execution tests failed: 0
Execution tests not yet completed: 0

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%  All execution tests passed!  %%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

And all integration tests show zero differences w/r/t PR #1843.

Checking gchp_merra2_fullchem
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gchp_merra2_fullchem_benchmark
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gchp_merra2_fullchem_RRTMG
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gchp_merra2_tagO3
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gchp_merra2_TransportTracers
   -> No differences in OutputDir
   -> No differences in Restarts

GeosCore/hco_interface_mod.F90 - Removed extra ") THEN" statement in IF block at line 3601. Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>

msulprizio added 2 commits May 16, 2023 12:38

Remove references to tagged Hg simulations

978d3e0

The tagHg simulation is not currently supported, so references to LSPLIT and Hg_Cat* have been removed from the Hg code. Signed-off-by: Melissa Sulprizio <mpayer@seas.harvard.edu>

msulprizio added no-diff-to-benchmark This update will not change the results of fullchem benchmark simulations specialty simulations labels May 16, 2023

msulprizio requested a review from yantosca May 16, 2023 16:54

msulprizio self-assigned this May 16, 2023

yantosca changed the base branch from main to dev/14.2.0 May 16, 2023 17:00

yantosca requested changes May 16, 2023

View reviewed changes

yantosca changed the base branch from dev/14.2.0 to main May 16, 2023 17:05

yantosca approved these changes May 16, 2023

View reviewed changes

Update CHANGELOG.md for tagged CH4 simulation update

7bf0f8a

Signed-off-by: Melissa Sulprizio <mpayer@seas.harvard.edu>

yantosca self-requested a review June 5, 2023 15:18

yantosca approved these changes Jun 5, 2023

View reviewed changes

yantosca changed the base branch from main to dev/14.2.1 July 6, 2023 15:29

yantosca merged commit f1be282 into dev/14.2.1 Jul 6, 2023

yantosca deleted the bugfix/tagged-simulations branch July 6, 2023 17:42

This was referenced Jul 6, 2023

Update Hg0 Emission Factors in hcox_gfed_include_gfed4.H geoschem/HEMCO#215

Merged

move REF_TRF file from OtherAnthropogenic to Oil #1856

Merged

yantosca mentioned this pull request Sep 21, 2023

Issue adding multiple CH4 tracers to CH4 simulation #1798

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Explicitly define tagCH4 simulations instead of making assumption based on number of species #1799

Explicitly define tagCH4 simulations instead of making assumption based on number of species #1799

msulprizio commented May 16, 2023

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msulprizio commented May 16, 2023

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yantosca commented Jul 6, 2023

yantosca commented Jul 6, 2023

Explicitly define tagCH4 simulations instead of making assumption based on number of species #1799

Explicitly define tagCH4 simulations instead of making assumption based on number of species #1799

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msulprizio commented May 16, 2023

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Describe the update

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Related Github Issue(s)

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msulprizio commented May 16, 2023

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yantosca commented Jul 6, 2023

yantosca commented Jul 6, 2023