[Pw_forum] Question on scaling of Quantum Espresso

[Federico Iori]

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. 

	
Federico IORI 
Marie Curie Fellow 
Laboratoire de Physique des Solides 
Bâtiment 510 - Rue André Rivière 
91400 Orsay 


----- Mensaje original -----

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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