[Wien] omp vs mpi for LAPW1

[Laurence Marks]

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.karima at 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 at 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$
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20200827/7212cc3a/attachment.htm>