Fixes for the carbon simulation

[yantosca]

Name and Institution (Required)

Name: Bob Yantosca
Institution: Harvard + GCST

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• Contributing guidelines

Describe the update

This is the companion PR to #1984 and fixes several issues in the carbon simulation, notably:

1. Added species ID flags for advected species so that we can block off code that is not relevant to single species simulations
2. Fixed HEMCO_Config.rc template files for single-species simulations.

Still to do:

3. Fix issues preventing the GCHP carbon simulations from running
4. Improve performance in single-species simulations by only doing unit conversions for advected & deposited species

Expected changes

This PR will allow single-species carbon simulations and GCHP carbon simulations to proceed to completion. It will not affect any GEOS-Chem benchmark simulations.

Reference(s)

N/A

Related Github Issue(s)

• Issues to be resolved in the carbon simulation #1984

Tagging @msulprizio @lizziel @hannahnesser @kbowman77

[yantosca]

Update 17 Oct 2023:

1. When using a single carbon species for CO2, the simulation fails due to CH4-only IF blocks being activated.
   • Solution: define new species ID variables that test if species are advected (e.g. id_CH4_a = Ind_("CH4", "A")), and use these in IF block logic.

This is now fixed in commit 3549162.

[yantosca]

Update 17 Oct 2023:

1. When using a single carbon species for CO2, the simulation fails due to CH4-only IF blocks being activated.
   • Solution: define new species ID variables that test if species are advected (e.g. id_CH4_a = Ind_("CH4", "A")), and use these in IF block logic.

This is now fixed in commit 3549162.

[yantosca]

As raised in #2112, we need to fix the CH4 hydropower emissions files to cast the time dimension from int to float or dble, in order for GCHP to read them.

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[msulprizio]

I pushed a few additional fixes to HISTORY.rc and added carbon and carbon with CH4 only simulations to the GCHP integration tests. These simulations now run successfully and pass integration tests:

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

GCHP      #14cb756 Update version number to 14.3.0 in preparation for release
GEOS-Chem #96eabd7ac Activate carbon and CH4 integration tests for GCHP
HEMCO     #f807e1a Update HEMCO version number to 3.8.0 in preparation for release

Number of execution tests: 4

Submitted as SLURM job: 25321342
==============================================================================
 
Execution tests:
------------------------------------------------------------------------------
gchp_merra2_carbon..................................Execute Simulation....PASS
gchp_merra2_carbon_CH4..............................Execute Simulation....PASS
gchp_merra2_tagO3...................................Execute Simulation....PASS
gchp_merra2_TransportTracers........................Execute Simulation....PASS
 
Summary of test results:
------------------------------------------------------------------------------
Execution tests passed: 4
Execution tests failed: 0

[msulprizio]

All GCClassic and GCHP integration tests on this branch now pass.

Note that now GCHP integration tests include the carbon and carbon with CH4 only simulations:

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

GCHP      #24d40b7 GEOS-Chem submod update: Merge PR #2211 (Initialize PBL variables)
GEOS-Chem #8a832f3b5 Fix typos in HEMCO_Config.rc for CH4 and tagCH4 simulations
HEMCO     #f807e1a Update HEMCO version number to 3.8.0 in preparation for release

Number of execution tests: 8

Submitted as SLURM job: 25420396
==============================================================================
 
Execution tests:
------------------------------------------------------------------------------
gchp_merra2_carbon..................................Execute Simulation....PASS
gchp_merra2_carbon_CH4..............................Execute Simulation....PASS
gchp_merra2_fullchem................................Execute Simulation....PASS
gchp_merra2_fullchem_benchmark......................Execute Simulation....PASS
gchp_merra2_fullchem_RRTMG..........................Execute Simulation....PASS
gchp_merra2_fullchem_TOMAS15........................Execute Simulation....PASS
gchp_merra2_tagO3...................................Execute Simulation....PASS
gchp_merra2_TransportTracers........................Execute Simulation....PASS
 
Summary of test results:
------------------------------------------------------------------------------
Execution tests passed: 8
Execution tests failed: 0
Execution tests not yet completed: 0

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

[kbowman77]

@msulprizio what does carbon with CH4 only simulation mean? Is there an equivalent simulation for the other carbon species?

[msulprizio]

@kbowman77 The out-of-the-box carbon simulation includes CH4, CO, CO2, and OCS. Users may also choose to run the carbon simulation with individual species (CH4 only, CO2 only, etc.) to reproduce the preexisting specialty simulations.

I have been validating the traditional CH4 simulation against the carbon simulation (both with all species and with CH4 only) to confirm there are minimal, if any, differences. We would like the same to be done for the other carbon species.

[kbowman77]

When can we start supporting the evaluation of the other single-carbon simulations?

[yantosca]

@kbowman77: We are going to bring the carbon simulation updates into the 14.4.0 development stream following the 14.3.1 release. 14.3.1 contains some bug fixes and other updates e.g. to facilitate connecting GEOS-Chem to external models. We hope to do this in the next week or so (fingers crossed).