Restarting the calculation #370
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Hello! One of my calculations was OOM killed. Reactants and products were optimized and the software started searching for transition states (created initial_path folder) when it ran out of memory. Is there a way to restart the calculation from this stage? The calculation was rather simple, but long. I was only using Cheers, |
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Replies: 1 comment 1 reply
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Hi @ustojiljkoff – provided you're on a reasonably recent autodE version checkpoints should be saved, which will be used if you simply rerun the calculation |
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Perfect, thanks so much for your help and quick response! |
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Hi @ustojiljkoff – provided you're on a reasonably recent autodE version checkpoints should be saved, which will be used if you simply rerun the calculation