[Wien] MPI

[Luis Ogando]

Dear Prof. Blaha, Prof. Marks and Wien2k community,

   I noticed that the "siteconfig_lapw" defines MPI_REMOTE as

setenv MPI_REMOTE "1"

even when one answers 0 to the correspondent question. I had previously
changed it to 0, but I believe that I recompiled something after that and
the value "1" was set again.
   I am doing another test to check if this the origin of my problems with
openmpi.
   Unfortunately, I am not proficient in shell scripts, so I can not point
the exact problem with the MPI_REMOTE setting (even if there is a real one).
   Thank you one more time for the help,
                                    Luis Ogando





2013/2/20 Peter Blaha <pblaha at theochem.tuwien.ac.at>

> 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 <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<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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>>
> --
> Peter Blaha
> Inst.Materials Chemistry
> TU Vienna
> Getreidemarkt 9
> A-1060 Vienna
> Austria
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