Check that the output of: which mpirun which mpif90 are in the same directory: if they are not, you are in troubles.
I would recommend you ask whoever set up the cluster for help, it will definitely save both of you time. cheers On 04/22/2014 12:02 PM, torstein.fjermestad at unito.it wrote: > Dear Axel Kohlmeyer, > > thank you for your fast reply. > Unfortunately, I am not really sure if I have understood all the > details of your suggestions. > The version of mpirun is 1.4.5. This information I got from the output > of "mpirun -V": > mpirun (Open MPI) 1.4.5 > > I am configuring and compiling pw.x on the same (virtual) machine as > Open MPI is installed. I do this in the following way: > ./configure > make pw > > I doubt that there are several versions of Open MPI installed on the > same machine, but in case there are, is the version of Open MPI written > somewhere in the output of "make pw"? > > I understand that this problem is not a pure Quantum Espresso problem, > and I have therefore also described the problem to the mailing list of > StarCluster. > > Thanks in advance for your help. > > Yours sincerely, > Torstein Fjermestad > > > On 17.04.2014 13:03, Axel Kohlmeyer wrote: >> 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 > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Dr. Lorenzo Paulatto IdR @ IMPMC -- CNRS & Universit? Paris 6 +33 (0)1 44 275 084 / skype: paulatz http://www-int.impmc.upmc.fr/~paulatto/ 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05
