On Sat, Sep 10, 2011 at 8:45 PM, Justin A. Lemkul <jalem...@vt.edu> wrote:
> > > lina wrote: > >> Hi, >> >> My job terminated due to the storage out of the quote given by >> administrator, >> >> here the md.log is unusual, so when I resume the job, the results won't >> append on it. but still running... >> >> Here is the tail of md.log, >> >> DD step 31424999 <tel:31424999> load imb.: force 20.8% pme >> mesh/force 1.936 >> >> Step Time Lambda >> 31425000 <tel:31425000> 62850.00000 0.00000 >> >> <...snip...> >> >> DD step 31425999 <tel:31425999> load imb.: force 23.7% pme mesh/force >> 1.923 >> >> Step Time Lambda >> 31426000 <tel:31426000> 62852.00000 0.00000 >> >> >> <...snip...> >> Kinetic En. Total Energy Temperature [lina@hostname >> >> >> You may notice that the [lina@hostname] did not start in a new line. >> >> there is md_step31441735.cpt >> and md_prev.cpt >> >> what is the final step stored in the md_prev.cpt? How do I check ? >> >> > It should be the step -cpt minutes before the later checkpoint was written. > Use gmxcheck to verify its contents. > > > are there some chance to resume? >> >> > Make sure the existing job has been killed (which sounds like it may or may > not be the case) and simply restart from the appropriate checkpoint. > > http://www.gromacs.org/**Documentation/How-tos/Doing_**Restarts<http://www.gromacs.org/Documentation/How-tos/Doing_Restarts> > > -Justin > Thanks. > > -- > ==============================**========== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin> > > ==============================**========== > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<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<http://www.gromacs.org/Support/Mailing_Lists> > -- Best Regards, lina
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