This depends upon your hardware, what mpi/scalapack/elpa you are using and the size of your matrix (which depends upon RMTs & RKMAX as well as the number of atoms). Use what is best for you -- it is not simple to generalize without more information.
_____ Professor Laurence Marks "Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi www.numis.northwestern.edu On Thu, Aug 27, 2020, 06:44 karima Physique <physique.kar...@gmail.com> wrote: > Dear Wien2k users, > > A calculation with 38 equivalent atoms (96 inequivalent ), we found that > using lapw1 with omp_global is very faster than lapw1_mpi > machine file 1 > omp_global: 12 > 1: node1 > machine file 2 > 1: node1:12 > Have you any comment on this? > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > > https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!H8qtmKawoTISgAtZWGPeM1XVgsV_AZEiR2dCv4rIPPfE4l4wui6mx1aB7HWwtkwvcTPrYg$ > SEARCH the MAILING-LIST at: > https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!H8qtmKawoTISgAtZWGPeM1XVgsV_AZEiR2dCv4rIPPfE4l4wui6mx1aB7HWwtkyj5wE92w$ >
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