[Wien] MPI

[Peter Blaha]

On an SMP machine make sure you have in $WIENROOT/parallel_options

setenv USE_REMOTE 0
setenv MPI_REMOTE 0

Am 20.02.2013 17:45, schrieb Luis Ogando:
> Dear Prof. Marks,
>
>     Thank you very much for your prompt answer.
>     I am using openmpi, but I believe that I am facing some of the
> tricky issues you mentioned. I work in a SMP machine and the calculation
> starts fine. After some tens of iterations, MPI suddenly asks for a
> password and everything goes down to the drain.
>     I am using open mpi 1.6. Do you recommend any older version ??
>     All the best,
>                    Luis Ogando
>
>
>
>
> 2013/2/20 Laurence Marks <L-marks at northwestern.edu
> <mailto:L-marks at northwestern.edu>>
>
>     One that works.
>
>     Some versions of openmpi have problems although that is probably the
>     best option for the future. There are some tricky issues with openmpi
>     related to how your flavor of ssh works, there is no standard and some
>     do not propogate kill commands which means that they can leave
>     orphans.
>
>     An alternative is mvapich. In a benchmark that I did a few months ago
>     the Intel mpi was much better for AVX instructions, but that may have
>     changed.
>
>     Openmpi is easy to compile; mvapich can be a little trickier.
>
>     N.B., if you have fast connections, e.g. infiniband, they are more
>     than fast enough and I have never seen this as rate limiting with
>     Wien2k. With ethernet it matters.
>
>     On Wed, Feb 20, 2013 at 10:29 AM, Luis Ogando <lcodacal at gmail.com
>     <mailto:lcodacal at gmail.com>> wrote:
>      > Dear Wien2k community,
>      >
>      >    Is there any recommended flavor and version of an MPI compiler
>     to use
>      > with " Intel(R) Fortran Intel(R) 64 Compiler XE for applications
>     running on
>      > Intel(R) 64, Version 12.0.3.174 Build 20110309 " ?
>      >    All the best,
>      >                       Luis Ogando
>
>
>
>     --
>     Professor Laurence Marks
>     Department of Materials Science and Engineering
>     Northwestern University
>     www.numis.northwestern.edu <http://www.numis.northwestern.edu>
>     1-847-491-3996 <tel:1-847-491-3996>
>     "Research is to see what everybody else has seen, and to think what
>     nobody else has thought"
>     Albert Szent-Gyorgi
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>
>
>
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671