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CompPhysVienna / n2p2

n2p2 - A Neural Network Potential Package
https://compphysvienna.github.io/n2p2/
GNU General Public License v3.0
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N2P2 Checkpointing #200

Open absrocks opened 4 months ago

absrocks commented 4 months ago

Hello, Is there a method to restart N2P2 in the event of an unexpected termination of the process? Our institution's users are running N2P2 on an HPC cluster, and their jobs are constrained by walltime. I am curious if there is a checkpointing mechanism available so that jobs can resume from the latest output data.