Hi Prof. Marks, Gavin and others, Wien2k is finally running in more than one node without ssh. My steps:
1) I rebuilt the OpenMPI wrappers with --with-tm option in configure. This should work for PBS Pro , Open PBS and Torque ( see http://www.open-mpi.org/faq/?category=building#build-rte-tm ). 2) I "believe" that this will influence only mpirun, but, in any case, I recompiled FFTW and Wien2k with the "new" wrappers. 3) As it is advised not to use pbs_tmrsh when OpenMPI is built with --with-tm option, I set USE_REMOTE to 0 in the parallel_options file. This avoids ssh or equivalent commands during Wien2k execution. The only issue is that if I want to use -it and a combination of K-point and MPI parallelizations, I have to set the scratch to the local directory. I hope that this information may be useful for others. All the best, Luis 2014-07-24 8:45 GMT-03:00 Luis Ogando <lcoda...@gmail.com>: > Hi, > > Another link that can be useful is: > > http://www.open-mpi.org/faq/?category=building#build-rte-tm > > Anyway, I will try it and let you know the results. > All the best, > Luis > > > > 2014-07-23 18:30 GMT-03:00 Gavin Abo <gs...@crimson.ua.edu>: > >> It seems to me that pbs_tmrsh is only available on systems that have >> PBS Professional. >> >> There is information about it in the PBS Professional support >> documentation (Reference Guide and User Guide) on Altair's PBS Works >> website: >> >> >> http://www.pbsworks.com/(S(k4q1hy4krq5yn3rw0qjyvcmg))/SupportDocuments.aspx >> >> I would say replace ssh by pbs_tmrsh in siteconfig and see what happens; >> either it works as an ssh replacement or it doesn't. >> >> >> On 7/23/2014 2:43 PM, Laurence Marks wrote: >> >> Hint: "man pbs_tmrsh". I don't have it, and in fact I cannot find a web >> page with it anywhere. If you can find a link post it? >> >> >> On Wed, Jul 23, 2014 at 3:07 PM, Luis Ogando <lcoda...@gmail.com> wrote: >> >>> Dear Wien2k community, >>> >>> >>> SSH is forbidden in my computation center due to misuse. >>> I tried the "hopen" suggestion given by Prof. Marks to circumvent the >>> ssh use without success. >>> By now, I am only able to use one cluster node each time (as in a SMP >>> machine), but the guys from computation center said that pbs_tmrsh could be >>> a possible alternative to ssh among the nodes. >>> Well, I would like to know if someone has any experience in using >>> pbs_tmrsh with Wien2k. Any hint or advice ? >>> All the best, >>> Luis >>> >> >> >> >> -- >> Professor Laurence Marks >> Department of Materials Science and Engineering >> Northwestern University >> www.numis.northwestern.edu 1-847-491-3996 >> Co-Editor, Acta Cryst A >> "Research is to see what everybody else has seen, and to think what >> nobody else has thought" >> Albert Szent-Gyorgi >> >> >> _______________________________________________ >> Wien mailing list >> Wien@zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> SEARCH the MAILING-LIST at: >> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html >> >> >
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