[Q-e-developers] wfc_dir for atomic wavefunctions

Paolo Giannozzi paolo.giannozzi at uniud.it
Thu Nov 28 20:44:15 CET 2013


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 




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