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Pass non-zero Ca2, Mg, and K cations to HETP #2398

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merged 1 commit into from
Jul 26, 2024

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@lizziel lizziel commented Jul 23, 2024

Name and Institution (Required)

Name: Lizzie Lundgren
Institution: Harvard University

Describe the update

This PR uncomments setting Ca2+, K+, and Mg+ cation values passed to HETP. Previously these values were zero due to an issue in ISORROPIA. With the update to HETP we can enable these cations.

Expected changes

This update will change benchmark results.

Reference(s)

None

Related Github Issue

closes #2391

@lizziel lizziel changed the base branch from main to dev/14.5.0 July 23, 2024 15:30
@lizziel lizziel added this to the 14.5.0 milestone Jul 23, 2024
Previously these values were zero due to an issue in ISORROPIA. With the
update to HETP we can now enable these cations.

Signed-off-by: Lizzie Lundgren <elundgren@seas.harvard.edu>
@lizziel lizziel force-pushed the feature/uncomment_cations_passed_to_hetp branch from 3786731 to 0276c54 Compare July 23, 2024 18:33
@lizziel lizziel added Attn: Aerosols WG topic: Aerosols Related to aerosol species in GEOS-Chem labels Jul 23, 2024
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lizziel commented Jul 23, 2024

All integration tests pass for both GC-Classic and GCHP.

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lizziel commented Jul 23, 2024

Tagging Aerosols WG Co-chairs: @beckyalexander, @theloniuspunk, @wporter

@lizziel lizziel marked this pull request as ready for review July 23, 2024 21:25
@lizziel lizziel requested a review from yantosca July 23, 2024 21:25
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Thanks @lizziel. This looks OK to merge. I'll start testing this.

@yantosca yantosca self-assigned this Jul 25, 2024
@yantosca yantosca added the category: Feature Request New feature or request label Jul 25, 2024
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@lizziel: I've merged this into dev/14.5.0 (locally) and am running integration tests.

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All GEOS-Chem Classic integration tests passed:

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

GCClassic #96e3b6b Hotfix: Point to dev/14.5.0 + 14.4.2 in src/GEOS-Chem
GEOS-Chem #e29a4c928 Merge PR #2398 (Pass non-zero Ca2, Mg, and K cations to HETP)
HEMCO     #e68ebae HEMCO 3.9.2 release

Using 24 OpenMP threads
Number of execution tests: 28

Submitted as SLURM job: 41377041
==============================================================================

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

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All GCHP integration tests passed:

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

GCHP      #ce7df31 Merge GCHP 14.4.2 back into the 14.5.0 development stream
GEOS-Chem #e29a4c928 Merge PR #2398 (Pass non-zero Ca2, Mg, and K cations to HETP)
HEMCO     #

Number of execution tests: 11

Submitted as SLURM job: 41377765
==============================================================================

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

@yantosca yantosca merged commit e29a4c9 into dev/14.5.0 Jul 26, 2024
@yantosca yantosca deleted the feature/uncomment_cations_passed_to_hetp branch July 26, 2024 13:45
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lizziel commented Jul 30, 2024

@beckyalexander, difference plots which isolate this update are now available to view. Could you take a look and verify changes are as you expect?
https://gc-dashboard.org/difference?primary_key=diff-gcc-4x5-1Mon-14.4.2-gcc-4x5-1Mon-14.5.0-alpha.2

@beckyalexander: The previous benchmark was w/r/t 14.4.2 instead of 14.5.0-alpha.1. Use this link instead:
https://gc-dashboard.org/difference?primary_key=diff-gcc-4x5-1Mon-14.5.0-alpha.1-gcc-4x5-1Mon-14.5.0-alpha.2

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