MolecularAI / ReinventCommunity

MIT License
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Slurm server #38

Closed suneelbvs closed 1 year ago

suneelbvs commented 1 year ago

Hi,

I was trying to use SLURM server for reinvent job submission.

Here is the steps that i followed:

  1. created conda environment for reinvent in slurm server
  2. created conda environment for reinvent in front node as well
  3. copied reinvent folder in front run and trying to run "jobsubmission.sh" by activating reinvent script in node.

Did i miss any key steps. Any suggestions will be helpful?