Thanks Mark for the reply. The simulation ran fine and at the end of the .log file I got the following line:
--------------------------------------------------------------------------------------------------------------------------------- Parallel run - timing based on wallclock. NODE (s) Real (s) (%) Time: 125029.000 125029.000 100.0 1d10h43:49 (Mnbf/s) (GFlops) (ns/day) (hour/ns) Performance: 932.867 46.259 3.729 6.436 Finished mdrun on node 0 Fri Dec 11 22:58:06 2009 ---------------------------------------------------------------------------------------------------------------------------------- There was no error and I did not ran out of disk space. What should I do now? Can I repair this .trr file anyway? Any suggestion is welcome. Regards, Anirban On Fri, Dec 18, 2009 at 2:02 PM, Mark Abraham <mark.abra...@anu.edu.au>wrote: > Anirban Ghosh wrote: > >> Thanx Tsjerk for the reply. >> I checked the .trr files with gmxcheck and one of the .trr files is giving >> the error: >> >> >> --------------------------------------------------------------------------------------------------------------------------- >> Checking file PRO_DAH_10_NS.part0004.trr >> trn version: GMX_trn_file (single precision) >> Reading frame 0 time 10000.000 # Atoms 135496 >> Reading frame 1400 time 12800.001 >> ------------------------------------------------------- >> Program gmxcheck, VERSION 4.0.5 >> Source code file: trnio.c, line: 66 >> >> File input/output error: >> Can not determine precision of trn file >> >> ---------------------------------------------------------------------------------------------------------------------------- >> >> Is there any way to recover this .trr file? Or do I need to re-run the >> simulation again? >> > > Probably. Did the simulation end correctly? Did you run out of disk space? > > 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/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/mailing_lists/users.php >
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