[Pw_forum] Question on scaling of Quantum Espresso

[Pablo García Risueño]

Dear Federico

Thank you very much for your message. Unfortunately these tests seem to
measure the computing time as a function of the number of cores, and not as
a function of the number of electrons//plane waves//etc.



2016-11-08 11:09 GMT+01:00 Federico Iori <federico.iori at u-psud.fr>:

> Hi Pablo.
>
> Did you have a look at computational centers benchmark test?
>
> I can suggest you
> http://www.quantum-espresso.org/benchmarks/
>
> www.hpc.cineca.it/content/quantumespresso-benchmark
>
> I am not sure they can provide all the info you are looking for regarding
> scaling vs all the parameters of th system thou, but maybe they can help
> somehow.
>
> [image: Université Paris-Sud]
> *Federico IORI*
> Marie Curie Fellow
> Laboratoire de Physique des Solides
> Bâtiment 510 - Rue André Rivière
> 91400 Orsay
>
>
> ------------------------------
> *De: *"Pablo García Risueño" <garcia.risueno at gmail.com>
> *Para: *"PWSCF Forum" <pw_forum at pwscf.org>
> *Enviados: *Martes, 8 de Noviembre 2016 10:50:10
> *Asunto: *[Pw_forum] Question on scaling of Quantum Espresso
>
>
> Dear members of the Espresso community
>
> I would like to know how the total execution time of Quantum Espresso
> (pw.x and ph.x) scales with the different parameters of the system, like
> number of electrons, size of the box, ecutwfc, etc. It would be very useful
> for me to know in which parameters the scaling is linear, quadratic or
> cubic. Of course I can do tests on my own, but they would be just partly
> reliable due to Amdahl's issues.
>
> Thank you very much for your help. Best regards.
>
> --
> --
>
> Dr. Pablo García Risueño
>
> Institut für Physikalische Chemie, Universität Hamburg, Grindelallee 117,
> 20146 Hamburg
>
> Tel. +49 040 42 83 84 82 7
>
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-- 
--

Dr. Pablo García Risueño

Institut für Physikalische Chemie, Universität Hamburg, Grindelallee 117,
20146 Hamburg

Tel. +49 040 42 83 84 82 7
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