[Pw_forum] Question on scaling of Quantum Espresso

[Pablo García Risueño]

Thank you very much, prof. Giannozzi, that is what I was looking for. Do
you know if a similar page exists for the ph.x code?

Best regards

2016-11-08 11:38 GMT+01:00 Paolo Giannozzi <p.giannozzi at gmail.com>:

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



-- 
--

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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