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ReactionMechanismGenerator / RMG-Py

Python version of the amazing Reaction Mechanism Generator (RMG).
http://reactionmechanismgenerator.github.io/RMG-Py/
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Arkane takes a long time to run due to loading Julia dependencies #2547

Open jonwzheng opened 1 year ago

jonwzheng commented 1 year ago

Bug Description

Running Arkane.py takes much longer than expected (i.e. close to 1 hour rather than 1 second on a local machine) for simple TST calculations.

How To Reproduce

Go to RMG-Py/examples/arkane/reactions/ and run Arkane.py on any of the input.py files in any of the examples. You will see that Arkane starts executing, but slows down as it starts processing the Julia imports.

Expected Behavior

Arkane should finish running in just a few seconds.

Installation Information

Additional Context

The slowdown is from Arkane importing RMG's CoreEdgeReactionModel , which imports RMG reactors, which then import the Julia modules (loading the Julia stuff is really slow.)

Since I'm only using Arkane for conventional TST, I was able to get the runtime back to the expected ~1 seconds by commenting out all of the instances where CoreEdgeReactionModel or ExplorerJob are imported when Arkane.py is called.

github-actions[bot] commented 9 months ago

This issue is being automatically marked as stale because it has not received any interaction in the last 90 days. Please leave a comment if this is still a relevant issue, otherwise it will automatically be closed in 30 days.

JacksonBurns commented 8 months ago

Patch in place in #2539, which might be cut down into smaller PRs one of which will exactly cover this issue.

mjohnson541 commented 6 months ago

Arkane uses Julia for direct solution of the master equation ODE.

JacksonBurns commented 6 months ago

Are you referring to the code that @hwpang pointed out here? https://github.com/ReactionMechanismGenerator/RMG-Py/pull/2631#discussion_r1520352498

If that's the case then I think Arkane has alternative solution methods already built in and we could possibly just say that in order to use the (probably better) Julia ones, they need to add the Julia deps?

github-actions[bot] commented 3 months ago

This issue is being automatically marked as stale because it has not received any interaction in the last 90 days. Please leave a comment if this is still a relevant issue, otherwise it will automatically be closed in 30 days.

JacksonBurns commented 3 months ago

Fix nearing completion in #2631, not stale

github-actions[bot] commented 3 weeks ago

This issue is being automatically marked as stale because it has not received any interaction in the last 90 days. Please leave a comment if this is still a relevant issue, otherwise it will automatically be closed in 30 days.

jonwzheng commented 2 weeks ago

Not stale, see above