[Pw_forum] Question on scaling of Quantum Espresso

[Paolo Giannozzi]

You can find something here:
http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/node14.html

Paolo

On Tue, Nov 8, 2016 at 11:29 AM, Pablo García Risueño <
garcia.risueno at gmail.com> wrote:

> 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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>>
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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
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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