[gpaw-users] Gpaw on taito (CSC)

[leonardo espinosa]

Hi Ask,

Here I attached you the files,
thanks for your help.

leo

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




On Wed, Jul 23, 2014 at 5:26 PM, Ask Hjorth Larsen <asklarsen at gmail.com>
wrote:

> 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
> >
> >
> >
> > _______________________________________________
> > gpaw-users mailing list
> > gpaw-users at listserv.fysik.dtu.dk
> > https://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-users
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://listserv.fysik.dtu.dk/pipermail/gpaw-users/attachments/20140723/bf9be4f5/attachment-0001.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: B+Ag.err
Type: application/octet-stream
Size: 38703 bytes
Desc: not available
URL: <http://listserv.fysik.dtu.dk/pipermail/gpaw-users/attachments/20140723/bf9be4f5/attachment-0001.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: B+Ag.log
Type: text/x-log
Size: 342 bytes
Desc: not available
URL: <http://listserv.fysik.dtu.dk/pipermail/gpaw-users/attachments/20140723/bf9be4f5/attachment-0001.bin>