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> > 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> 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 1-847-491-3996 > "Research is to see what everybody else has seen, and to think what > nobody else has thought" > Albert Szent-Gyorgi > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130220/96314bad/attachment.htm>