[Pw_forum] phcg restart problem

[Paolo Giannozzi]

On Mon, 2014-01-13 at 10:50 +0800, 周波 wrote:

> can the newest SVN version of phcg handle the restart from multi
> processor? 

I hope so. The restart mechanism in phcg is a little bit rough,
though: it saves intermediate results only at the end of each
linear-response calculation, it doesn't allow to stop after a
pre-determined time has elapsed

> I'am playing with the phcg and Raman spectra. Interruption happened
> after a really longtime waiting. It is terrible to restart from
> scratch.

if files "recover*" are still there, you should be able to restart
from those. The problem was just when readin those files

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