I will check it !<div> Thanks again,</div><div> Luis Ogando</div><div><br></div><div><br></div><div><br><br><div class="gmail_quote">2013/2/20 Peter Blaha <span dir="ltr"><<a href="mailto:pblaha@theochem.tuwien.ac.at" target="_blank">pblaha@theochem.tuwien.ac.at</a>></span><br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">On an SMP machine make sure you have in $WIENROOT/parallel_options<br>
<br>
setenv USE_REMOTE 0<br>
setenv MPI_REMOTE 0<br>
<br>
Am 20.02.2013 17:45, schrieb Luis Ogando:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div class="im">
Dear Prof. Marks,<br>
<br>
Thank you very much for your prompt answer.<br>
I am using openmpi, but I believe that I am facing some of the<br>
tricky issues you mentioned. I work in a SMP machine and the calculation<br>
starts fine. After some tens of iterations, MPI suddenly asks for a<br>
password and everything goes down to the drain.<br>
I am using open mpi 1.6. Do you recommend any older version ??<br>
All the best,<br>
Luis Ogando<br>
<br>
<br>
<br>
<br>
2013/2/20 Laurence Marks <<a href="mailto:L-marks@northwestern.edu" target="_blank">L-marks@northwestern.edu</a><br></div>
<mailto:<a href="mailto:L-marks@northwestern.edu" target="_blank">L-marks@northwestern.<u></u>edu</a>>><div class="im"><br>
<br>
One that works.<br>
<br>
Some versions of openmpi have problems although that is probably the<br>
best option for the future. There are some tricky issues with openmpi<br>
related to how your flavor of ssh works, there is no standard and some<br>
do not propogate kill commands which means that they can leave<br>
orphans.<br>
<br>
An alternative is mvapich. In a benchmark that I did a few months ago<br>
the Intel mpi was much better for AVX instructions, but that may have<br>
changed.<br>
<br>
Openmpi is easy to compile; mvapich can be a little trickier.<br>
<br>
N.B., if you have fast connections, e.g. infiniband, they are more<br>
than fast enough and I have never seen this as rate limiting with<br>
Wien2k. With ethernet it matters.<br>
<br>
On Wed, Feb 20, 2013 at 10:29 AM, Luis Ogando <<a href="mailto:lcodacal@gmail.com" target="_blank">lcodacal@gmail.com</a><br></div><div class="im">
<mailto:<a href="mailto:lcodacal@gmail.com" target="_blank">lcodacal@gmail.com</a>>> wrote:<br>
> Dear Wien2k community,<br>
><br>
> Is there any recommended flavor and version of an MPI compiler<br>
to use<br>
> with " Intel(R) Fortran Intel(R) 64 Compiler XE for applications<br>
running on<br>
> Intel(R) 64, Version 12.0.3.174 Build 20110309 " ?<br>
> All the best,<br>
> Luis Ogando<br>
<br>
<br>
<br>
--<br>
Professor Laurence Marks<br>
Department of Materials Science and Engineering<br>
Northwestern University<br></div>
<a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a> <<a href="http://www.numis.northwestern.edu" target="_blank">http://www.numis.<u></u>northwestern.edu</a>><br>
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Peter Blaha<br>
Inst.Materials Chemistry<br>
TU Vienna<br>
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Austria<br>
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