[ase-users] NEB and VASP in parallel

[John Kitchin]

This is not possible with ASE and VASP. You need to use the VASP
keywords to do this, with the VTST
(http://theory.cm.utexas.edu/vtsttools/neb.html) patch for NEB.

> ----------------------------------------------------------------------
>
> Message: 1
> Date: Mon, 17 Aug 2015 11:01:10 -0400
> From: Mina Jafari <mjafari at umich.edu>
> To: ase-users at listserv.fysik.dtu.dk
> Subject: [ase-users] NEB and VASP in parallel
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> Hi,
>
> I'm trying to run NEB in parallel over 9 images and have VASP on 8 cores
> for each image using ASE package. In the tutorial example, they've used
> GPAW and the communicator is ranks, how should I do this using VASP?
>
> Thank you for your help,
> Mina Jafari
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--
Professor John Kitchin
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Department of Chemical Engineering
Carnegie Mellon University
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@johnkitchin
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