Job submission of Materials Project on HPC cluster?


I am interested in submitting Materials Project jobs through HPC clusters because of the limited computation capability on local machine. May anyone share any instruction on this?

Thank you very much in advance,

Hi chisangpark,
can you be a little bit more specific what you want to run? If you want to get FireWorks to run on your cluster, I can give you a couple of pointers I hope.
Cheers, Michael

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Thank you, Michael, for your reply!

I will look into the FireWorks to assign jobs to the HPC cluster of my organization.

Best, Chisang

Hi again, be advised that this is for high-throughput calculations, so if you just want to download structures and such from the Materials Project and then run a few jobs with them on a cluster, FireWorks will probably be overkill.
Also atomate might have workflows you need ready to use.
Cheers, Michael

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I will also look into atomate as well.
Thank you very much, Michael!