[Q-e-developers] Problems with IO

Stefano Baroni baroni at sissa.it
Mon May 15 18:01:09 CEST 2017


Thank you for your note, Kurth. Please, note that the appropriate address to report this kind of problems is q-e-developers at qe-forge.org <mailto:q-e-developers at qe-forge.org>, to I which I am forwarding this email. I am forwarding to Pietro Delugas as well, who may give you direct advice on the reported issue. best regards - Stefano B

> On 15 May 2017, at 17:42, Thorsten Kurth <tkurth at lbl.gov> wrote:
> 
> Dear developers, QE maintainers,
> 
> we deployed QE 6.1 on Cori at NERSC and get a lot of error reports which are IO related. Most of them might be attributed to migrating to a new file form. The main errors include:
> 
> 1) files written by pw.x cannot be read by pw2bgw.x, it complains about a missing XML.
> 
> 2) files written by pw.x cannot be processed by gipaw either. 
> 
> Do I need to specify a certain flag to switch to the old formats as long as the new one is not fully implemented? Or are these two cases supposed to work?
> 
> Best Regards
> Thorsten Kurth



—
Stefano Baroni -  SISSA, Trieste - http://stefano.baroni.me, stefanobaroni (skype)

There are two ways of doing a theoretical calculation: you should have either a clear physical model in mind, or a rigorous mathematical basis. You have neither. [E. Fermi to F.J. Dyson, as humbly reported by the latter]

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