[Wien] Job distribution problem in MPI+k point parallelization

[Laurence Marks]

Do "cat machine1" and "cat .machine2", checking that they both have 2
entries.

Also, what batch system are you using, e.g. pbs or just straight? It may be
that you have wrong parallel options.

___________________________
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
MURI4D.numis.northwestern.edu
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
On Jan 27, 2015 9:42 AM, "lung Fermin" <ferminlung at gmail.com> wrote:

>   Dear Wien2k community,
>
>  Recently, I am trying to set up a calculation of a system with ~40 atoms
> using MPI+k point parallelization. Suppose in one single node, I want to
> calculate 2 k points, with each k point using 2 processors to run mpi
> parallel. The .machines file I used was
> #
> 1:node1 node1
> 1:node1 node1
> granularity:1
> extrafine:1
> #
>
>  When I ssh into node1, I saw that there were 8 lapw1_mpi running, each
> with CPU usage of 50%. Is this natural or have I done something wrong? What
> I expect was having 4 lapw1_mpi running each with CPU usage of 100%
> instead. I am a newbei to mpi parallelization. Please point me out if I
> have misunderstand anything.
>
>  Thanks in advance,
>  Fermin
>
>
>
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