[gpaw-users] Gpaw on taito (CSC)

[Ask Hjorth Larsen]

Hi Leonardo

What is the error?  Also the logfile.

Best regards
Ask

2014-07-23 16:23 GMT+02:00 leonardo espinosa <espinosa.leal at gmail.com>:
> 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
>
>
>
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