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Update PSyclone scripts for UKCA chemistry 3D chunking - #593

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mn416:mn416-3d-chunking
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Update PSyclone scripts for UKCA chemistry 3D chunking#593
mn416 wants to merge 4 commits into
MetOffice:mainfrom
mn416:mn416-3d-chunking

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@mn416

@mn416 mn416 commented Jul 6, 2026 •
edited by Pierre-siddall
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PR Summary

Sci/Tech Reviewer: Joe Wallwork (@joewallwork)
Code Reviewer: Pierre Siddall (@Pierre-siddall)

UKCA full-domain mode chemistry chunking will now be implemented in the UKCA code base, not as an lfric_apps PSyclone transformer. This PR updates the PSyclone transformer so that it now only adds OpenMP directives to the already-chunked code, rather than introduce chunking from scratch.

Code Quality Checklist

  • I have performed a self-review of my own code
  • My code follows the project's style guidelines
  • Comments have been included that aid understanding and enhance the readability of the code
  • My changes generate no new warnings
  • All automated checks in the CI pipeline have completed successfully

Testing

  • I have tested this change locally, using the LFRic Apps rose-stem suite
  • If any tests fail (rose-stem or CI) the reason is understood and acceptable (e.g. kgo changes)
  • I have added tests to cover new functionality as appropriate (e.g. system tests, unit tests, etc.)
  • Any new tests have been assigned an appropriate amount of compute resource and have been allocated to an appropriate testing group (i.e. the developer tests are for jobs which use a small amount of compute resource and complete in a matter of minutes)

trac.log

testing branch: https://github.com/RobWatersMet/lfric_apps/tree/tesing-mn416-3d-chunking

macro applied and dependencies.sh updated

trac.log output:

Test Suite Results - lfric_apps - testing_mn416_3d_chunking_lfric/run1

Suite Information

Item Value
Suite Name testing_mn416_3d_chunking_lfric/run1
Suite User robert.waters
Workflow Start 2026-08-21T09:56:40
Groups Run all
Dependency Reference Main Like
casim MetOffice/casim@2026.07.1 True
jules MetOffice/jules@2026.07.1 True
lfric_apps RobWatersMet/lfric_apps@tesing-mn416-3d-chunking False
lfric_core MetOffice/lfric_core@2026.07.1 True
moci MetOffice/moci@2026.07.1 True
SimSys_Scripts MetOffice/SimSys_Scripts@2026.07.1 True
socrates MetOffice/socrates@2026.07.1 True
socrates-spectral MetOffice/socrates-spectral@2026.07.1 True
ukca mn416/ukca@mn416-3d-chunking True

Task Information

✅ succeeded tasks - 1602

Security Considerations

  • I have reviewed my changes for potential security issues
  • Sensitive data is properly handled (if applicable)
  • Authentication and authorisation are properly implemented (if applicable)

Performance Impact

  • Performance of the code has been considered and, if applicable, suitable performance measurements have been conducted

AI Assistance and Attribution

  • Some of the content of this change has been produced with the assistance of Generative AI tool name (e.g., Met Office Github Copilot Enterprise, Github Copilot Personal, ChatGPT GPT-4, etc) and I have followed the Simulation Systems AI policy (including attribution labels)

Documentation

  • Where appropriate I have updated documentation related to this change and confirmed that it builds correctly

PSyclone Approval

  • If you have edited any PSyclone-related code (e.g. PSyKAl-lite, Kernel interface, optimisation scripts, LFRic data structure code) then please contact the TCD Team

I emailed the TCD team, but the email bounced.

Note to PSyclone team: This PR removes one PSyclone script that is no longer needed and simplifies another, so should reduce concerns around forward/backwards compatibility. Note that the modification includes a check of the PSyclone version number to decide how to insert explicitly private variables: for PSyclone < 3.3.0, these are added to the loop, and PSyclone >= 3.3.0 they are added to the directive.

Sci/Tech Review

  • I understand this area of code and the changes being added
  • The proposed changes correspond to the pull request description
  • Documentation is sufficient (do documentation papers need updating)
  • Sufficient testing has been completed

(Please alert the code reviewer via a tag when you have approved the SR)

Code Review

  • All dependencies have been resolved
  • Related Issues have been properly linked and addressed
  • CLA compliance has been confirmed
  • Code quality standards have been met
  • Tests are adequate and have passed
  • Documentation is complete and accurate
  • Security considerations have been addressed
  • Performance impact is acceptable

@github-actions github-actions Bot added the cla-required The CLA has not yet been signed by the author of this PR - added by GA label Jul 6, 2026
@mn416 mn416 mentioned this pull request Jul 6, 2026
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@github-actions github-actions Bot added cla-signed The CLA has been signed as part of this PR - added by GA and removed cla-required The CLA has not yet been signed by the author of this PR - added by GA labels Jul 6, 2026
@RobWatersMet

Rob Waters (RobWatersMet) commented Jul 7, 2026 •
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I've added ukca_chem_full_chunk_size to the chemistry rose-meta.conf - so it will get generated into chemistry_config_mod.f90 at build time.

ukca_chem_full_chunk_size is then added directly to the ukca_setup call in ukca_init.

The changes shouldn't be needed in ukca_option_mod

@mn416
mn416 force-pushed the mn416-3d-chunking branch from 4922e75 to a42d796 Compare July 24, 2026 09:31
@RobWatersMet

Rob Waters (RobWatersMet) commented Aug 21, 2026

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testing branch: https://github.com/RobWatersMet/lfric_apps/tree/tesing-mn416-3d-chunking

macro applied and dependencies.sh updated

trac.log output:

Test Suite Results - lfric_apps - testing_mn416_3d_chunking_lfric/run1

Suite Information

Item Value
Suite Name testing_mn416_3d_chunking_lfric/run1
Suite User robert.waters
Workflow Start 2026-08-21T09:56:40
Groups Run all
Dependency Reference Main Like
casim MetOffice/casim@2026.07.1 True
jules MetOffice/jules@2026.07.1 True
lfric_apps RobWatersMet/lfric_apps@tesing-mn416-3d-chunking False
lfric_core MetOffice/lfric_core@2026.07.1 True
moci MetOffice/moci@2026.07.1 True
SimSys_Scripts MetOffice/SimSys_Scripts@2026.07.1 True
socrates MetOffice/socrates@2026.07.1 True
socrates-spectral MetOffice/socrates-spectral@2026.07.1 True
ukca mn416/ukca@mn416-3d-chunking True

Task Information

✅ succeeded tasks - 1602

@RobWatersMet

Rob Waters (RobWatersMet) commented Aug 21, 2026

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mn416 should be ready for scitech review

mn416 and others added 2 commits August 24, 2026 15:00
@mn416
Update PSyclone scripts for UKCA chemistry 3D chunking
935e67b 
UKCA full-domain mode chemistry chunking is now implemented in the UKCA
code base, not as an lfric_apps PSyclone transformer. The PSyclone
transformer now only adds OpenMP directives to the already-chunked code.
@RobWatersMet @mn416
adding the upgrade macro for testing
9f89af8
@mn416
mn416 force-pushed the mn416-3d-chunking branch from 9dc38bb to 9f89af8 Compare August 24, 2026 14:06
@mn416
mn416 marked this pull request as ready for review August 25, 2026 09:10
iboutle
iboutle requested changes Aug 25, 2026
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@iboutle iboutle left a comment

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A couple of minor metadata issues

Comment thread interfaces/physics_schemes_interface/rose-meta/um-chemistry/HEAD/rose-meta.conf Outdated
Comment thread interfaces/physics_schemes_interface/rose-meta/um-chemistry/HEAD/rose-meta.conf
hiker
Joerg Henrichs (hiker) reviewed Aug 26, 2026
View reviewed changes
Comment thread ...n/meto-ex1a/transmute/science/ukca/src/science/core/chemistry/ukca_chemistry_ctl_full_mod.py Outdated
f"to loop: {err.message_text}")

raise TransformationError(err_msg) from err
if routine.name == "ukca_chemistry_ctl_full":

@hiker Joerg Henrichs (hiker) Aug 26, 2026

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Only minor comment (and I acknowledge this is more a coding style suggestion):

if routine.name != "ukca...":
    continue

This would allow you to decrease the nesting level.
Us PSyclone devs also recently discussed the handling of transformation errors might need some re-thinking (to allow you to remove the somewhat ugly large outside try block), but we don't have any agreed improved way.
Otherwise I am happy with this.

@mn416 mn416 Aug 26, 2026

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Thanks Joerg Henrichs (@hiker). Done in commit 704d5b5.

@mn416
Decrease nesting level in chemistry PSyclone script
704d5b5 
Also remove duplicate copies of this file in favour of symlinks.
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Reviewers

@hiker Joerg Henrichs (hiker) hiker left review comments
@iboutle iboutle iboutle approved these changes
@christophermaynard Hacka Fett (christophermaynard) Awaiting requested review from christophermaynard christophermaynard is a code owner
@MatthewHambley Matthew Hambley (MatthewHambley) Awaiting requested review from MatthewHambley MatthewHambley is a code owner
@james-bruten-mo James Bruten (james-bruten-mo) Awaiting requested review from james-bruten-mo james-bruten-mo is a code owner
@joewallwork Joe Wallwork (joewallwork) Awaiting requested review from joewallwork

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