Hmmm. This is my parallel_options on a machine with openmpi:
setenv USE_REMOTE 1 setenv MPI_REMOTE 0 setenv WIEN_GRANULARITY 1 setenv WIEN_MPIRUN "mpirun -x LD_LIBRARY_PATH -x PATH -np _NP_ -machinefile _HOSTS_ _EXEC_" set a=`grep -e "1:" .machines | grep -v lapw0 | head -1 | cut -f 3 -d: | cut -c 1-2` #echo $a setenv MKL_NUM_THREADS $a setenv OMP_NUM_THREADS $a setenv MKL_DYNAMIC FALSE #echo MKL $MKL_NUM_THREADS $OMP_NUM_THREADS $MKL_DYNAMIC if (-e local_options ) source local_options set remote = "/bin/csh $WIENROOT/pbsh" The command pbsh should be in SRC_mpiutil at http://www.wien2k.at/reg_user/unsupported/ which has a few other things, let me know if I forgot to include it. It is mpirun -x LD_LIBRARY_PATH -x PATH -np 1 --host $1 /bin/csh -c " $2 " What this does is use mpirun locally for everything rather than communicating via ssh and spawning processes which can sometimes be a problem with openmpi. On Wed, Feb 20, 2013 at 10:45 AM, Luis Ogando <lcodacal at gmail.com> wrote: > 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 > > -- 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
