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 >> ______________________________**_________________ >> Wien mailing list >> Wien at zeus.theochem.tuwien.ac.**at <Wien at >> zeus.theochem.tuwien.ac.at><mailto: >> Wien at zeus.theochem.**tuwien.ac.at <Wien at zeus.theochem.tuwien.ac.at>> >> >> http://zeus.theochem.tuwien.**ac.at/mailman/listinfo/wien<http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien> >> >> >> >> >> >> ______________________________**_________________ >> Wien mailing list >> Wien at zeus.theochem.tuwien.ac.**at <Wien at zeus.theochem.tuwien.ac.at> >> http://zeus.theochem.tuwien.**ac.at/mailman/listinfo/wien<http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien> >> >> > -- > Peter Blaha > Inst.Materials Chemistry > TU Vienna > Getreidemarkt 9 > A-1060 Vienna > Austria > +43-1-5880115671 > ______________________________**_________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.**at <Wien at zeus.theochem.tuwien.ac.at> > http://zeus.theochem.tuwien.**ac.at/mailman/listinfo/wien<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/20130222/890e8291/attachment.htm>