Has the tesla card got to do anything with the error. Am using Nvidia Tesla S1070 1U server.
On Thu, Jan 19, 2012 at 8:37 PM, Szilárd Páll <szilard.p...@cbr.su.se>wrote: > And sorting out where the /bin/cat error comes from because that is > surely not a Gromacs message! > > Cheers, > -- > Szilárd > > > > On Thu, Jan 19, 2012 at 1:12 PM, Mark Abraham <mark.abra...@anu.edu.au> > wrote: > > On 19/01/2012 8:45 PM, aiswarya pawar wrote: > > > > Mark, > > > > THe normal mdrun also hangs thus not generating any output. > > > > > > OK. It's your problem to solve... keep simplifying stuff until you can > > isolate a small number of possible causes. Top of the list is file system > > availability. > > > > Mark > > > > > > > > On Thu, Jan 19, 2012 at 3:09 AM, Mark Abraham <mark.abra...@anu.edu.au> > > wrote: > >> > >> On 19/01/2012 2:59 AM, aiswarya.pa...@gmail.com wrote: > >> > >> Hi, > >> > >> Its going into the running mode but gets hang there for long hours which > >> generating any data in the output file. And am not able to figure out > the > >> error file_doc. Please anyone knows what's going wrong. > >> > >> > >> No, but you should start trying to simplify what you're doing to see > where > >> the problem lies. Does normal mdrun work? > >> > >> Mark > >> > >> > >> Thanks > >> Sent from my BlackBerry® on Reliance Mobile, India's No. 1 Network. Go > for > >> it! > >> > >> -----Original Message----- > >> From: Szilárd Páll <szilard.p...@cbr.su.se> > >> Sender: gmx-users-boun...@gromacs.org > >> Date: Wed, 18 Jan 2012 14:47:59 > >> To: Discussion list for GROMACS users<gmx-users@gromacs.org> > >> Reply-To: Discussion list for GROMACS users <gmx-users@gromacs.org> > >> Subject: Re: [gmx-users] mdrun-gpu error > >> > >> 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 > >> > >> > >> > >> > >> > >> -- > >> 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 > > > > > > > > > > -- > > 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 > -- 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
