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KPP Standalone from Obin Sturm #2483

Merged
merged 5 commits into from
Nov 21, 2024
Merged

KPP Standalone from Obin Sturm #2483

merged 5 commits into from
Nov 21, 2024

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lizziel
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@lizziel lizziel commented Sep 26, 2024

Name and Institution (Required)

Name: Lizzie Lundgren
Institution: Harvard University

Describe the update

This draft PR contains updates for KPP Standalone from Obin Sturm (GMAO) contained in GEOS-ESM#19. That original PR is built off of branch geos/develop in the GEOS-Chem fork in GMAO's GitHub. That version is not mergable into the standard model so this PR will be used instead.

Tagging @obin1, @yantosca

Expected changes

See GEOS-ESM#19

Reference(s)

https://github.com/KineticPreProcessor/KPP-Standalone/tree/kpp-standalone

Related Github Issue

GEOS-ESM#19
Please link to the corresponding Github issue(s) here. If fixing a bug, there should be an issue describing it with steps to reproduce.

Obin Sturm and others added 2 commits September 26, 2024 15:41
Signed-off-by: Lizzie Lundgren <elundgren@seas.harvard.edu>
@lizziel lizziel requested a review from yantosca September 26, 2024 19:45
@lizziel lizziel added category: Feature Request New feature or request no-diff-to-benchmark This update will not change the results of fullchem benchmark simulations Topic: Fullchem Simulations Related to full-chemistry simulations labels Sep 26, 2024
@lizziel lizziel changed the base branch from main to dev/14.5.0 September 26, 2024 19:46
@yantosca yantosca added this to the 14.5.1 milestone Sep 26, 2024
@yantosca yantosca self-assigned this Sep 26, 2024
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Thanks @lizziel for prepping this PR. I have some changes:

  1. Remove the .exe file from the repo, we shouldn't track binaries.
  2. I would prefer to see all of the standalone files go into a KPP/standalone folder. This would make it easier to also create standalone simulations for the other mechanisms if so desired.

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Also I think we can make a folder KPP/standalone/sample_input (or something named accordingly) to place the sample input files in. It'd be nice to eventually have one for each mechanism.

@yantosca yantosca added the topic: Chemical Mechanisms Related to KPP and/or GEOS-Chem chemistry mechanisms label Sep 27, 2024
@lizziel lizziel changed the base branch from dev/14.5.0 to dev/no-diff-to-benchmark September 27, 2024 18:17
@yantosca yantosca force-pushed the feature/kpp_standalone branch from 4a411b1 to edcafd0 Compare October 3, 2024 17:45
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yantosca commented Oct 3, 2024

@obin1 @lizziel: NOTE: I removed the binary file kpp_executable.exe and pushed to this PR branch. I will make further updates to this PR and let you know when it is ready for review. Thanks!

@yantosca yantosca force-pushed the feature/kpp_standalone branch from d801186 to 38162aa Compare October 10, 2024 17:05
@yantosca yantosca modified the milestones: 14.5.1, 14.6.0 Oct 10, 2024
@yantosca yantosca force-pushed the feature/kpp_standalone branch from 38162aa to edcafd0 Compare October 10, 2024 19:28
KPP/standalone
- Folder which contains source code from the GitHub repository:
  https://github.com/geoschem/KPP-Standalone.  This is a fork of
  the https://github.com/KineticPreProcessor/KPP-Standalone repo
  by Obin Sturm, Mike Long, and Christoph Keller.  The branch
  geoschem-dev is checked out.  This is where we can place
  GEOS-Chem-specific updates without touching the original code
  in the kpp-standalone branch.
  branch is set to geoschem-dev, which is the branch to be used
  for interfacing into the GEOS-Chem model

.gitmodules
- This was updated by running the command:
  git submodule add -b geoschem-dev \
    https://github.com/geoschem/KPP-Standalone \
    KPP/standalone

CHANGELOG.md
- Updated accordingly

KPP/fullchem/Makefile
KPP/fullchem/kpp_standalone*.F90
KPP/fullchem/samples_kpp_standalone/*
- Removed from the KPP/fullchem folder.

KPP/standalone
- Folder containing code from https://github.com/geoschem/KPP-Standalone

Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
KPP/CMakeLists.txt
- Add calls to "add_directory(standalone)" in the fullchem and
  custom "if" blocks.  This will tell CMake to look for the
  CMakeLists.txt file in the KPP/standalone folder, and to build
  the standalone files (libKppStandalone.a) after libKPP.a has
  been built.

Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
This merge brings PR #2483 (KPP standalone from Obin Sturm,
by @obin1 and @lizziel) into the GEOS-Chem 14.6.0 development stream.

This PR does the following:

1. Adds submodule https://github.com/geoschem/KPP-Standalone
   in the KPP/standalone folder

2. Updates KPP/CMakeListst.txt to build the KPP standalone
   executable when the GEOS-Chem executable is built
   (currently only for fullchem or custom mechanisms)

Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
@yantosca yantosca marked this pull request as ready for review November 21, 2024 20:16
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All GEOS-Chem Classic integration tests passed:

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

CodeDir   : b4cea44 GEOS-Chem update: Merge PR #2482 (KPP standalone interface)
GEOS-Chem : 860b90cdd Merge PR #2483 (KPP standalone from Obin Sturm)
HEMCO     : deaa192 HEMCO 3.10.0 release
Cloud-J   : f8a2b7f Update version number for 8.0.1 release
HETP      : 2a99b24 Merge pull request #2 from geoschem/bugfix/initialize_local_variables

Using 24 OpenMP threads
Number of execution tests: 30

Submitted as SLURM job: 59046109
==============================================================================

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

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All GCHP integration tests passed:

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

CodeDir       : a7ab3eb GEOS-Chem update: Merge PR #2482 (KPP standalone interface)
MAPL          : 9ad63ae Merge PR #37 containing update to vertically flip imports with dimensionless pressure proxy lev coordinates
GMAO_Shared   : 4ddb3ec Merge pull request #2 from geoschem/feature/mapl-upgrade
ESMA_cmake    : ad5deba Added ecbuild as a submodule of ESMA_cmake
gFTL-shared   : 4b82492 Merge branch 'upstream_v1.5.0' into feature/v1.5.0
FMS           : 259759d Merge pull request #3 from geoschem/feature/update_gmao_libs
FVdycoreCubed : af42462 Merge PR #8 (Add PLEadv diagnostic for offline advection in GCHP)
geos-chem     : 860b90cdd Merge PR #2483 (KPP standalone from Obin Sturm)
HEMCO         : deaa192 HEMCO 3.10.0 release
yaFyaml       : 19afe50 Merge branch 'upstream_v1.0.4' into feature/v1.0.4
pFlogger      : 2c4b724 Merge branch 'upstream_v1.9.1' into feature/v1.9.1
Cloud-J       : f8a2b7f Update version number for 8.0.1 release
HETP          : 2a99b24 Merge pull request #2 from geoschem/bugfix/initialize_local_variables

Number of execution tests: 12

Submitted as SLURM job: 59046957
==============================================================================

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

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All looks good, approving so @yantosca can merge

@yantosca yantosca requested a review from obin1 November 21, 2024 21:02
@yantosca yantosca changed the base branch from dev/no-diff-to-benchmark to dev/14.6.0 November 21, 2024 21:16
@yantosca yantosca merged commit 860b90c into dev/14.6.0 Nov 21, 2024
yantosca added a commit that referenced this pull request Nov 22, 2024
This merge brings PR #2483 (KPP standalone from Obin Sturm,
by @obin1 and @lizziel) into the GEOS-Chem 14.5.1 development
stream.

This PR does the following:

1. Adds submodule https://github.com/geoschem/KPP-Standalone
   in the KPP/standalone folder

2. Updates KPP/CMakeListst.txt to build the KPP standalone
   executable when the GEOS-Chem executable is built
   (currently only for fullchem or custom mechanisms)

Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
@yantosca yantosca deleted the feature/kpp_standalone branch December 2, 2024 20:45
@lizziel lizziel modified the milestones: 14.6.0, 14.5.1 Jan 9, 2025
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category: Feature Request New feature or request no-diff-to-benchmark This update will not change the results of fullchem benchmark simulations topic: Chemical Mechanisms Related to KPP and/or GEOS-Chem chemistry mechanisms Topic: Fullchem Simulations Related to full-chemistry simulations
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3 participants