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Re: Exciton dispersion
Posted: Thu Apr 29, 2021 12:46 pm
by Daniele Varsano
Dear Davide,
I tied a simple run computing iq=2 only for a simple system and I did not find any problem.
Have you checked you do not have any errore message from any of the log files (you should 120 files)?
Best,
Daniele
Re: Exciton dispersion
Posted: Thu Apr 29, 2021 12:55 pm
by DavidPolito93
Dear Daniele,
Yes everything is fine in the log files.
Actually from file 30 to 120 the kernel arrived at 100%, while before that it stops before
Davide
Re: Exciton dispersion
Posted: Thu Apr 29, 2021 1:15 pm
by Daniele Varsano
Dear Davide,
very hard to spot, I assume this is not a wall time problem.
You can try to change parallelisation strategy? also using less cpu and shifting more on k points (this should balance a bit the calculation).
Let's see if some error message it will appear. Anyway it is very strange that it works when you run both q points.
Best,
Daniele
Re: Exciton dispersion
Posted: Thu Apr 29, 2021 1:26 pm
by DavidPolito93
Dear Daniele,
I assumes it was a problem on the parallelization: I now didn't specify any parallel strategy and I used 2 OMP threads and this time it finished.
I have to figure out a best way to parallelize then
Best,
Davide