[gpaw-users] Gpaw on taito (CSC)

[leonardo espinosa]

Dear gpaw users,

I'm trying to run a simple BFGS optimization of a benzene
molecule on taito cluster (https://research.csc.fi/taito-user-guide),
using different versions of gpaw: 0.9.0 and 0.10.0. I'm having
some problems because after certain number of iterations the
calculation crashes, anybody here that use gpaw-0.10.0 on taito
without problem? Can you supply me with an example that runs?

I attached you here the files that I'm using.

Best regards,

leo




---
Leonardo A. Espinosa L.
Postdoctoral Researcher,
Aalto University,
Espoo, Finland.
http://goo.gl/WjBIXv <http://yonk.is/gI3>
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