[Q-e-developers] issue with ph.x and pseudo file location

Paolo Giannozzi giannozz at democritos.it
Wed Oct 10 20:00:36 CEST 2012


On Oct 10, 2012, at 17:11 , Giovanni Pizzi wrote:

> we have just noticed something odd in ph.x, i.e., that at some  
> point the ph.x code
> (seems to) try to read the UPF files from the pseudo dir instead of  
> the output 'save' dir.

I think it is a workaround for the case in which you have the files  
written to local
file systems and processors cannot access files residing on different  
processors.
Since all processors need to read the pseudopotential and this is in  
the .save file,
other processors try to locate it in the pseudo dir. I did some  
recent change to this,
by the way.


P.
---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222







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