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by dyj
Mon Oct 29, 2012 4:23 am
Forum: VTSTTools
Topic: Run NEB calculations in serial with respect to each image
Replies: 1
Views: 8314

Run NEB calculations in serial with respect to each image

In same cases, we run NEB calculations on a large system using 10 moving images, each image requires ~36 processors. In total, one has to use 360 processors at once, since the VASP NEB handles all images at the same time. We currently cannot use that many processes for a single job. I wonder if ther...