It's trying to run a test MPI mdrun (with -version -maxh 0.001) to check that things work, before you get error messages that confuse the issue with doing actual PME run testing. So maybe you need to sort out the run-time working directories to match. See what you need to do to run such an mdrun "by hand."
You should only get one such error per run of g_tune_pme, not "myriads." Mark On Fri, Aug 16, 2013 at 7:38 AM, Jernej Zidar <jernej.zi...@gmail.com> wrote: > Hello, > I tried as you suggested but the utility still fails. The job output > file contains a myriad of errors like this: > Program g_tune_pme, VERSION 4.6.3 > Source code file: > /home/ihpczidj/scratch/gromacs-4.6.3/src/tools/gmx_tune_pme.c, line: > 665 > > Fatal error: > Output from test run could not be found. > For more information and tips for troubleshooting, please check the GROMACS > website at http://www.gromacs.org/Documentation/Errors > > - - - > > What kind of output does g_tune_pme try to read if there's no output > at that time? > > Jernej > >> export MPIRUN=$(which srun) should be all you need to help g_tune_pme >> to understand how to start an MPI calc. g_tune_pme runs in serial, but >> it needs to *call* srun. >> >> Mark > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
