[Pw_forum] Question on scaling of Quantum Espresso

[Paolo Giannozzi]

There is no similar page for the phonon code, but there is this remark:
"*For phonon calculations, each of the 3Nat modes requires a time of the
same order of magnitude of self-consistent calculation in the same system
(possibly times a small multiple)." *More accurate estimates depend a lot
upon details of the calculation that are not easy to predict (such as how
quickly the system converges)

Paolo

On Tue, Nov 8, 2016 at 12:18 PM, Pablo García Risueño <
garcia.risueno at gmail.com> wrote:

> 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_us
>> er_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
>
> _______________________________________________
> 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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