[Q-e-developers] wfc_dir for atomic wavefunctions

Dmitry Korotin dmitry at korotin.name
Fri Nov 29 03:59:32 CET 2013


Thank you, Paolo.
I'm working with the stable release and did'n check the svn version. Mea
culpa.


2013/11/29 Paolo Giannozzi <paolo.giannozzi at uniud.it>

> Actually in the svn version both files are opened in
> wfc_dir, not in tmp_dir, if I/O to disk is requested
> (in the svn version arrays are stored in memory, not
>  written to file, unless disk_io='medium' or 'high'
>  are specified)
>
> P.
>
> On Thu, 2013-11-28 at 14:36 +0600, Dmitry Korotin wrote:
> > Dear QE developers,
> > is there any reason why the .atwfc and .satwfc files are stored inside
> > tmp_dir not wfc_dir during scf calculation? These files could be
> > really huge and it is reasonable to store them in a scratch directory.
> >
> >
> > --
> > Best regards,
> > Dr. Dmitry Korotin
> >
> > Institute of Metal Physics
> > S. Kovalevskaya, 18
> > 620990 Yekaterinburg
> > Russia
> > _______________________________________________
> > Q-e-developers mailing list
> > Q-e-developers at qe-forge.org
> > http://qe-forge.org/mailman/listinfo/q-e-developers
>
> --
> Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
> _______________________________________________
> Q-e-developers mailing list
> Q-e-developers at qe-forge.org
> http://qe-forge.org/mailman/listinfo/q-e-developers
>



-- 
Best regards,
Dr. Dmitry Korotin

Institute of Metal Physics
S. Kovalevskaya, 18
620990 Yekaterinburg
Russia
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/developers/attachments/20131129/eb908d12/attachment.html>


More information about the developers mailing list