2021-08-12 QCA Manager deployment with Chapin meeting notes

Owned by David Dotson, created
Aug 12, 2021
1 min read

Participants

  • @Chapin Cavender

  • @David Dotson

Goals

  • Deploy conda env for QCA Manager on Chapin’s resources at UCSD

  • Deploy manager(s) with appropriate compute tags, configuration

Discussion topics

Item

Notes

Item

Notes

Conda deployment

  • Deployed conda env qcarchive-worker-openff

Manager deployment

  • Configured jobs as launching single manager, single node

    • runs for 72h

    • 64 cores, 256 GB

    • 8 simultaneous jobs, 8 cores / 24 GB memory each

Action items

Decisions

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