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Update benchmark YAML files with new species for GEOS-Chem 14.5.0 #331

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merged 3 commits into from
Aug 26, 2024

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yantosca
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@yantosca yantosca commented Aug 8, 2024

Name and Institution (Required)

Name: Bob Yantosca
Institution: Harvard + GCST

Describe the update

This PR updates the following benchmark configuration files with the latest species as of GEOS-Chem 14.5.0:

This will make sure to include new species into the proper benchmark categories, etc.

Expected changes

New species will be included in the proper PDF corresponding to its category. Also units will be properly specified in emissions tables.

Reference(s)

N/A

Related Github Issue

Tagging @msulprizio @lizziel @ktravis213 @kelvinhb

gcpy/benchmark/modules/emission_species.yml
- Added species CH2I2, CH2IBr, CH2ICl, MOH, O3, PHEN,
  SALAAL, SALACL, SALCAL, and SALCCL

CHANGELOG.md
- Updated accordingly

Signed-off-by: Bob Yantosca <[email protected]>
@yantosca yantosca added category: Feature Request New feature or request topic: Benchmark Plots and Tables Issues pertaining to generating plots/tables from benchmark output labels Aug 8, 2024
@yantosca yantosca self-assigned this Aug 8, 2024
@yantosca yantosca changed the base branch from main to dev August 8, 2024 20:51
@ktravis213
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Hi everyone! Could we add RCOOH and ACR to secondary organics? Could we add ALK6, C4H6, TMB, STYR, EBZ to primary organics? Could NOy include the following additions (in red?) Also @kelvinhb could we add ACR emissions to the emissions pull request?
image

@ktravis213
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May we also update RO2 to be the following?
image

@kelvinhb
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Katie's additions look good, I'd also add that:
• NPHEN should be added to the NOy category
• AROMRO2, BZCO3, BENZO2, ETOO and OTHRO2 should be added to the RO2 category
• BRO2, TRO2, XRO2 should be removed from the RO2 category -- they're now just dummy species for SOA calculations and don't do active RO2 chemistry
• If this is happening concurrently with (or after) Jared's updates to ALK4 chemistry [#2352], then there's a few more species to add to NOy (ALK4N1, ALK4N2) and to RO2 (ALK4N1, ALK4O2).

gcpy/benchmark/modules/benchmark_categories.yml
gcpy/benchmark/modules/lumped_species.yml
- Updated with the latest species for GEOS-Chem 14.5.0, corresponding
  to feedback from @ktravis213 and @kelvinhb

CHANGELOG.md
- Updated accordingly

Signed-off-by: Bob Yantosca <[email protected]>
@yantosca
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@ktravis213, @kelvinhb: I've updated the benchmark_categories.yml and lumped_species.yml files according to your feedback in commit 9d2c054. Please let me know if these files look OK. I wasn't sure about some of the molar ratios in the lumped_species.yml but assumed 1.

gcpy/benchmark/modules/emission_species.yml
- Added new species from GEOS-Chem 14.5.0: ACR, C4H6, MVK, STYR, TMB

Signed-off-by: Bob Yantosca <[email protected]>
@yantosca
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@ktravis213 @kelvinhb: I also added ACR, C4H6, MVK, STYR, TMB to emission_species.yml so that those would show up in the biomass burning plots.

@yantosca yantosca marked this pull request as ready for review August 20, 2024 22:00
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@msulprizio msulprizio left a comment

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Good to merge. Thanks @yantosca!

@yantosca yantosca merged commit 2365f6d into dev Aug 26, 2024
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@yantosca yantosca deleted the feature/update-benchmark-species branch August 27, 2024 13:04
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4 participants