[Wien] MPI Error while running lapw0_mpi

[Laurence Marks]

As Peter said, try running on just 4 cores. There are some things that can
go wrong if you use many mpi for small problems.

Beyond that, please execute "ulimit -a" at a terminal. It is also good to
run it remotely in a job. I want to find out whether you have no rights to
set limits but they are large, or that they have been set for you at some
small value. The second case may be a deep problem where you will have to
work with the admin of the computer, and we cannot help. (If the limits are
large the messages reporting that you cannot set them can be ignored.)

N.B. read the ulimit man page.

--
Professor Laurence Marks
Department of Materials Science and Engineering, Northwestern University
www.numis.northwestern.edu
"Research is to see what everybody else has seen, and to think what nobody
else has thought" Albert Szent-Györgyi

On Wed, Mar 23, 2022, 5:54 AM Peter Blaha <pblaha at theochem.tuwien.ac.at>
wrote:

> Try to run the lapw0_mpi on 4 cores only.
>
> Am 3/23/22 um 11:48 schrieb venky ch:
> >
> > Dear Prof. Marks and Prof. Blaha,
> >
> > Thanks for your quick responses. The answers are as follows,
> >
> > a) Is this a supercomputer, a lab cluster or your cluster?
> >
> > Ans: It is a supercomputer
> >
> > b) Did you set it up or did someone else?
> >
> > Ans: I haven't set up these ulimits.
> >
> > c) Do you have root/su rights?
> >
> > Ans:  I don't have root/su rights
> >
> > What case is it, that you run it on 32 cores ?  How many atoms ??
> >
> > Ans: The case.struct has 3 atoms and for the total of 1000 k-points, it
> > gave 102 reduced k-points. As I want to test the running parallel
> > calculations, I just took a small system with more k-points.
> >
> > thanks and regards
> > venkatesh
> >
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20220323/31cbf904/attachment.htm>