[Pw_forum] phcg restart problem

[周波]

Dear Prof. Giannozzi,

Is the newest SVN version of phcg can handle the restart from multi
processor?
I'am playing with the phcg and Raman spectra. Interruption happened after a
really longtime waiting. It is terrible to restart from scratch.

Best regards

Dr. Bo Zhou

Northwest university, Xiaan, China
Tel: +86-029-88303492
Post: 710069


2014/1/10 Paolo Giannozzi <paolo.giannozzi at uniud.it>

> On Sat, 2014-01-04 at 09:56 -0800, weeliat wrote:
>
> > I am not sure if this error is due to my compilers or mpi software
> > (seems less probable as the initial run is ok) or is there something
> > with the restart function in phcg?
>
> there is a mismatch between how the file needed to restart is written
> (by a single processor) and how it is read (it should be read by a
> single processor, its content broadcast to all other processors, but
> this is not what is happening now). I'll fix it in the svn version this
> evening
>
> P.
> --
>  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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