Re: [gmx-users] Simulations stop running after reaching specific time step
Hi, Most likely a network file system that has dropped out. These tend to report to the application that the data was written (but actually only to a memory buffer), so it continues on. Then when there's nowhere for the memory buffer to be written, there's nobody to report that to... Mark On Tue, Jun 27, 2017 at 9:44 AM Shobha Sharma wrote: > Hello, > > I am submitting few simulations, after providing the wall time enough to > finish the jobs. But after reaching a certain time step, in case of all > jobs, the output files are not written beyond that time step. > > For example if I check my .log file, using 'tail -f md.log' I find that it > is not writing anything even though job is running. It utilizes whole wall > time given and ends without writing any further time steps. > In the end it does not even write about any problem faced. Job ends due to > end of wall time. > > What might be the reason behind this? > > -- > Thanks and Regards, > Shobha > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
Re: [gmx-users] Simulations stop running after reaching specific time step
Maybe post your mdp file. There are settings about writing out and default values if you add nothing too. On Tuesday, June 27, 2017 10:44 AM, Shobha Sharma wrote: Hello, I am submitting few simulations, after providing the wall time enough to finish the jobs. But after reaching a certain time step, in case of all jobs, the output files are not written beyond that time step. For example if I check my .log file, using 'tail -f md.log' I find that it is not writing anything even though job is running. It utilizes whole wall time given and ends without writing any further time steps. In the end it does not even write about any problem faced. Job ends due to end of wall time. What might be the reason behind this? -- Thanks and Regards, Shobha -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
[gmx-users] Simulations stop running after reaching specific time step
Hello, I am submitting few simulations, after providing the wall time enough to finish the jobs. But after reaching a certain time step, in case of all jobs, the output files are not written beyond that time step. For example if I check my .log file, using 'tail -f md.log' I find that it is not writing anything even though job is running. It utilizes whole wall time given and ends without writing any further time steps. In the end it does not even write about any problem faced. Job ends due to end of wall time. What might be the reason behind this? -- Thanks and Regards, Shobha -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
