Search found 1 match
- Mon Oct 29, 2012 4:23 am
- Forum: VTSTTools
- Topic: Run NEB calculations in serial with respect to each image
- Replies: 1
- Views: 8403
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 ...