[CP2K:650] Re: cp2k speedup on multicore machines

[Fawzi Mohamed]

Hi Axel,

nice numbers... just for the record

> first off, contrary to fawzi's statement, cpu affinity in OpenMPI has
> to be explicitely enabled (e.g. via setting mpi_paffinity_alone=1 in
> ~/.openmpi/mca-params.conf).

well I didn't say it was automatic :), what I meant was that I knew  
that both LAM MPI (on which I tested) and openMPI could do it, if  
configured to do so, and then I told how to have it with LAM MPI...

> however what both LAM/MPI and
> particularly
> OpenMPI have activated by default are algorithms that can take
> advantage
> of locality and that require the correct specification of nodes.

yep, I think that Open MPI is the best choice to have a well  
performing MPI, especially with multiple cores.
There is active development and they try to take advantage of the  
latest hardware.

ciao
Fawzi