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

[Peter Blaha]

It should actually be only 4 lapw1_mpi jobs running with this setup.

How did you find this: using "top" or ps  ???

Do you have thread-parallelization on ? (OMP_NUM_THREAD=2 ???) Then it 
doubles the processes (but you gain nothing ...)

It could also be that your mpirun definition is not ok with respect of 
you version of mpi, ...

PS: I hope it is clear, that such a setup is useful only for testing.
the mpi-program on 2 cores is "slower/at least not faster" than the 
sequential program on 1 core.

On 01/27/2015 04:41 PM, lung Fermin 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
>
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>

-- 

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
WWW:   http://www.imc.tuwien.ac.at/staff/tc_group_e.php
--------------------------------------------------------------------------