[Pw_forum] Time_max variable in phonon calculation

sbraccia carlo sbraccia at sissa.it
Wed Apr 27 20:34:14 CEST 2005


Dear Marisol,

what I wrote in the previous mail is valid also for the phonon code:

the routine that stops the phonon code when the time limit is reached 
should also print the statistics on timing.

Anyway when the code stops with the message :

"Stopping for time limit     85048.    85000."

you can be confident that your restart file is not corrupted.

carlo

Alcantara Ortigoza, Marisol wrote:
> Dear Carlo, 
> 
> Thanks for replying.
> 
> I think I did not explain well the calculation which I'm having trouble
> with. I have no problem with SCF calculation or band structure
> calculations (also named 'phonon' in the code). The problem comes with
> phonon frequency calculations for which one uses the binary ph.x.
> 
> I think it does not displays the statistics on timing before completing
> the number of irreducible representations it is supposed to perform in a
> sigle run. 
> 
> The time_max variable only stops the calculation showing the message
> which says that the calculation is stopping because the maximum number
> of seconds allowed have passed, but it does not show the time statistics
> or anything else. It simply stops. I do not know whether or not once I
> see the message "Stopping for time limit     85048.    85000." I can be
> sure it will restart OK. 



More information about the users mailing list