On Thu, Apr 17, 2014 at 6:41 AM, <torstein.fjermestad at unito.it> wrote: > Dear all, > > I recently installed QE on a virtual cluster configured with > StarCluster. > QE configures and compiles without errors. However, when I submit a > parallel calculation on 16 processors, the following is written near the > start of the output file: > > Parallel version (MPI), running on 1 processors
> The line is repeated 16 times in the output. To me it seems like I am > actually running 16 single processor calculations that all write to the > same output file (stdout in this case). this indicates that you are using an mpirun command that "belongs" to a different MPI library than the one the pw.x you are using was compiled with. please have a close look at the version output, to see if it is really the pw.x you expect to be using. also re-check the cluster documentation that you include the correct mpirun matching your MPI. > > The way I submit this calculation, is the following: > > I write the following submit script (submit.sh): > cp /path/to/executable/pw.x > mpirun -np 16 pw.x -in input.inp > here is a problem: unlike on windows, the current directory is not part of the search path, so you would have to use './pw.x' instead of 'pw.x' to use the pw.x directory in your current working directory (unless you have changed your profile to have '.' included in your $PATH variable, which is a very, very bad idea). > Then I submit the job with the following command: > > qsub -cwd -pe orte 16 ./submit.sh > > The queuing system of StarCluster is Open Grid Scheduler. > > For the line in the submit script, I have also tried several > alternatives such as: > > mpirun pw.x -in input.inp > mpirun pw.x -inp input.inp > mpirun -np 16 pw.x -inp input.inp > mpirun -np 16 pw.x < input.inp > > In the archives of this mailing list I have seen some similar problems, > but in spite of this I was still not able to solve my problem. > > I would appreciate very much if someone could give me suggestions on > how to solve the problem. > > Thanks in advance. > > Yours sincerely, > Torstein Fjermestad > University of Turin, > Italy > > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Dr. Axel Kohlmeyer akohlmey at gmail.com http://goo.gl/1wk0 College of Science & Technology, Temple University, Philadelphia PA, USA International Centre for Theoretical Physics, Trieste. Italy.
