[ase-users] Cores

[Marcin Dulak]

Hi,

if you use k-points please have a look at the vasp recommendation from
http://www.raunvis.hi.is/~finnboo/bjolfur/ (last section: running in 
parallel):
one processor per k-point (the number of k-points is printed in the txt 
output).
Make an experiment to verify that this holds for the configuration of 
your cluster.
If you don't have k-points then you have to make experiments
described at 
https://listserv.fysik.dtu.dk/pipermail/ase-users/2011-March/000976.html
Usually people run dacapo jobs on 8-32 cores.

Best regards,

Marcin

Tadeu Leonardo Soares e Silva wrote:
> Dear Marcin
>
> How do I do to calculate how many cores should I to use in Jacapo? I have a 
> cluster with 400 cores. Could I to use all cores for a job?
>
>
> Sincerely,
>
> Tadeu
>
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-- 
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Marcin Dulak
Technical University of Denmark
Department of Physics
Building 307, Room 229
DK-2800 Kongens Lyngby
Denmark
Tel.: (+45) 4525 3157
Fax.: (+45) 4593 2399
email: Marcin.Dulak at fysik.dtu.dk

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