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NERSC reproduction, doc, and cleaned up config - #11

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BenCarter44 wants to merge 12 commits into
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BenCarter44:nersc_reproduce
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NERSC reproduction, doc, and cleaned up config#11
BenCarter44 wants to merge 12 commits into
radical-collaboration:develfrom
BenCarter44:nersc_reproduce

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@BenCarter44

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I was able to reproduce the simulation + training + model publishing on NERSC.
I ran into a few errors along the way, so this PR covers the things I did to get it working. See REPRODUCE.md for a step-by-step intro for how to get it running at NERSC.

I also cleaned up the configuration system. I changed the config in utils/coordinator.py to reference the config.sh so that all the configuration variables are in the same place.

I am going to rerun one last time from scratch to make sure these changes are good. Would love any feedback.

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BenCarter44 marked this pull request as draft June 23, 2026 20:57
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BenCarter44 marked this pull request as ready for review June 24, 2026 19:22
Updated the steps in the REPRODUCE.md guide for clarity and consistency.
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Doing one final end-to-end test, but should be good.

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Successful end-to-end test. It however needed more than one hour to finish (using only CPU).

@dthain

dthain commented Jun 26, 2026

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How much of that was execution time, and how much waiting time?

@BenCarter44

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Hello Dr. Thain, just saw this comment.
I don't have the exact numbers, would have to rerun it. Note, I am not using the GPU for training. It is using CPU only for now.

From what I recall:

  • Each simulation takes about 3 minutes.
  • All three models training in parallel take under 30 minutes.
  • There was some non-trivial time for data transfer / setup.

I originally had requested 72 nodes for 1hr, but after checking on it later, I noticed that workflow progress froze. I realized that there were no work_queue workers remaining. Relaunching a new request for more nodes and work_queue workers allowed for the makeflow progress to continue. There were no errors, and makeflow recovered perfectly.

I set the time limit to 2hrs now which is more than plenty.

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Also, this branch is for packaging up xGFabric to run on NERSC only. It may have broke things if running at other sites.

The purpose of this branch is more of a drop-in "download-and-run" on NERSC.

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