NEB terminated problems

Current eOn code and boinc distributed computing

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ColinDCG
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Joined: Fri Aug 10, 2018 10:10 am

NEB terminated problems

Post by ColinDCG » Wed Sep 19, 2018 1:40 am

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

graeme
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Re: NEB terminated problems

Post by graeme » Wed Sep 19, 2018 1:06 pm

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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