NEB terminated problems

eOn code for long time scale dynamics

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NEB terminated problems

Post by ColinDCG »

Hello everyone:
Is anyone knows how to run NEB not in parallel style, just by running image by image, which will reduce the demand for cores in PBS system.
Thank you
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Re: NEB terminated problems

Post by graeme »

Again, as I mentioned in your other post, this is supposed to be about EON. In the EON code, you can in fact run the NEB image-by-image. But in VASP it must be parallel. Anyway, see my comments in your other post for possible solutions.
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