Dear Bouafia, you might look for parallelization hints on the website. The correct use of the available resources depends on the architecture of your computer and on the size of the calculation.
You should first understand if the result you find in terms of computational time are due to the fact that the size of your system is too small (I would not use 18 processors for bulk silicon, for example) or to the fact that the two nodes are not efficient in terms of inter-node communication. This being said, if 18 processors are a good starting point, you might try with 36 with -npool 2. This will partition your 36 processors into two groups of 18 processors, each dealing with one half of the k-points. This will work only if your calculation comprises at least two k-points. Giovanni -- Giovanni Cantele, PhD CNR-SPIN c/o Dipartimento di Fisica Universita' di Napoli "Federico II" Complesso Universitario M. S. Angelo - Ed. 6 Via Cintia, I-80126, Napoli, Italy e-mail: giovanni.cant...@spin.cnr.it <giovanni.cant...@spin.cnr.it> Phone: +39 081 676910 Skype contact: giocan74 ResearcherID: http://www.researcherid.com/rid/A-1951-2009 Web page: https://sites.google.com/view/giovanni-cantele/home Il giorno lun 20 mag 2024 alle ore 13:26 H. BOUAFIA < hamza_boua...@hotmail.com> ha scritto: > Hi > For two nodes of 18 processors each, how to choose the number of > processors (-np with -npool) because the calculation with a single node > (-np 18) is much faster than that with two nodes (-np 36). > Sincerely > H Bouafia > _______________________________________________ > The Quantum ESPRESSO community stands by the Ukrainian > people and expresses its concerns about the devastating > effects that the Russian military offensive has on their > country and on the free and peaceful scientific, cultural, > and economic cooperation amongst peoples > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users >
_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
