Am 01.09.2012 um 18:20 schrieb Austin Baker: > All, > > I am quite new to using Open MPI as it is required by programs that I > use for research. While running a chemistry program through Terminal, I > inadvertently hit enter after I tried to run the program over multiple > processors and am now getting one of two errors when I try and run the > programs that I need. I've seen a couple of help topics that are along the > same lines, but I can't seem to find an actual solution. > > When I just ran the MPI this is the error I got > Austins-iMac:man1 ABProds$ > /Applications/OpenEye/arch/osx-10.7-x64/oedocking/3.0.0/mpi/bin/mpirun -np 3 > > -------------------------------------------------------------------------- > Sorry! You were supposed to get help about: > orterun:executable-not-specified > from the file: > help-orterun.txt > But I couldn't find any file matching that name. Sorry!
Was the Open MPI installation moved after compilation? You can try to define: export OPAL_PREFIX=/Applications/OpenEye/arch/osx-10.7-x64/oedocking/3.0.0/mpi to get a better error message. > When I try and run other programs that I need this is the error: > Austins-iMac:man1 ABProds$ > /Applications/OpenEye/arch/osx-10.7-x64/oedocking/3.0.0/mpi/bin/mpirun -np 3 > /Applications/arch/osx-10.7-x64/oedocking/3.0.0/fred -receptor Whatever "argv0-not-accessible" means - you missed "OpenEye" in the above line. > > ~/Documents/Research2012/FredData/Fyn_TargetSite.oeb -dbase > > ~/Documents/Research2012/FredData/Zinc1/TopScores/zinc_57078852.mo;2 > -numposes 1500 Although a ";" is valid in a filename and can easily be entered in the Finder, it's necessary to escape it on the command line or put the complete argument in quotation marks. As it's a commercial application, I would suggest to ask the vendor and/or use their forum/knowledgebase. Especially as they suggest to use their own wrapper `oempirun`. -- Reuti > > -------------------------------------------------------------------------- > Sorry! You were supposed to get help about: > argv0-not-accessible > from the file: > help-rmgr-base.txt > But I couldn't find any file matching that name. Sorry! > > > Very much appreciated for the help > > > Austin Baker > as...@pitt.edu > Graduate Student > Department of Chemistry > University of Pittsburgh > > Everything is Experimental > > _______________________________________________ > users mailing list > us...@open-mpi.org > http://www.open-mpi.org/mailman/listinfo.cgi/users
