Yes, they are in the same directory. The problem seems to be related to the installation of open MPI, and I think you are right that I should ask someone else.
Thanks. On 22.04.2014 12:20, Lorenzo Paulatto wrote: > 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
