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Arkane takes a long time to run due to loading Julia dependencies #2547

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jonwzheng opened this issue Sep 20, 2023 · 4 comments · May be fixed by #2631
Open

Arkane takes a long time to run due to loading Julia dependencies #2547

jonwzheng opened this issue Sep 20, 2023 · 4 comments · May be fixed by #2631

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@jonwzheng
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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

  • Ubuntu 20.04.6 LTS
  • install from source with Anaconda, RMG-Py tag 3.2.0-115-g87b96e1b0, RMG-database tag 3.2.0

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.
@JacksonBurns JacksonBurns mentioned this issue Sep 21, 2023
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@github-actions github-actions bot added the stale stale issue/PR as determined by actions bot label Dec 20, 2023
@JacksonBurns
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Patch in place in #2539, which might be cut down into smaller PRs one of which will exactly cover this issue.

@JacksonBurns JacksonBurns removed the stale stale issue/PR as determined by actions bot label Jan 8, 2024
@JacksonBurns JacksonBurns mentioned this issue Mar 1, 2024
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@JacksonBurns JacksonBurns linked a pull request Mar 11, 2024 that will close this issue
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@mjohnson541
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Arkane uses Julia for direct solution of the master equation ODE.

@JacksonBurns
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Are you referring to the code that @hwpang pointed out here? #2631 (comment)

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?

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Avoid Unnecessary Julia Operations + Optional RMS Installation JacksonBurns/RMG-Py
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@mjohnson541 @jonwzheng @JacksonBurns