Thank you very much again, this help is very useful. In this point I wonder if the (*N*h := number of *H*[image: $ \psi$] products needed by iterative diagonalization) depends on the size of the system, or it is more or less constant for different kinds of systems.
Best regards 2016-11-08 12:58 GMT+01:00 Paolo Giannozzi <[email protected]>: > 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 < > [email protected]> 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 <[email protected]>: >> >>> 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 < >>> [email protected]> 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 <[email protected]>: >>>> >>>>> 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" <[email protected]> >>>>> *Para: *"PWSCF Forum" <[email protected]> >>>>> *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 >>>>> >>>>> _______________________________________________ >>>>> Pw_forum mailing list >>>>> [email protected] >>>>> http://pwscf.org/mailman/listinfo/pw_forum >>>>> >>>>> >>>>> _______________________________________________ >>>>> Pw_forum mailing list >>>>> [email protected] >>>>> 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 >>>> [email protected] >>>> 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 >>> [email protected] >>> 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 >> [email protected] >> 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 > [email protected] > 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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