globus-labs / mof-generation-at-scale / 14317366629

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Do not pickle ProxyStore Store objects (#181)

* Tweak workflow settings for Aurora (#178)

* Increase maximum number of parallel jobs, add PATH

* Convert path to string before storing

* Look for chargemol share path based on chargemol path

* Flake8 fixes

* Had the logic backwards

* Use nohup when launching workers to free parallel deployer

* Pull gas capacity in g/L

* Tweak runtime parameters

- Fewer GCMC steps
- Fewer DFT steps
- Fewer nodes for AI

* Show that pickling the function doesn't work

* Change how we send the store

There is a lock in newer versions of ProxyStore which prevents
sending the function via Pickle and likely causes problems
when sending the function via other methods

See: https://github.com/proxystore/proxystore/commit/7d4224ead

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