Hi, Most of those are just warnings, the only error I see there comes from the shell, probably an error in your script.
Cheers, -- Szilárd On Wed, Jan 18, 2012 at 12:27 PM, aiswarya pawar <aiswarya.pa...@gmail.com> wrote: > Hi users, > > Am running mdrun on gpu . I receive an error such as= > > WARNING: This run will generate roughly 38570 Mb of data > > > WARNING: OpenMM does not support leap-frog, will use velocity-verlet > integrator. > > > WARNING: OpenMM supports only Andersen thermostat with the > md/md-vv/md-vv-avek integrators. > > > WARNING: OpenMM supports only Monte Carlo barostat for pressure coupling. > > > WARNING: OpenMM provides contraints as a combination of SHAKE, SETTLE and > CCMA. Accuracy is based on the SHAKE tolerance set by the "shake_tol" > option. > > /bin/cat: file_loc: No such file or directory > > > and the job is running but the nothing written into .xtc, .trr, .edr files . > What could have gone wrong? > > -- > Aiswarya B Pawar > > Bioinformatics Dept, > Indian Institute of Science > Bangalore > > > > -- > 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
