Thanks Mark for the reply.<br>The simulation ran fine and at the end of the .log file I got the following line:<br><br>---------------------------------------------------------------------------------------------------------------------------------<br>
Parallel run - timing based on wallclock.<br><br> NODE (s) Real (s) (%)<br> Time: 125029.000 125029.000 100.0<br> 1d10h43:49<br> (Mnbf/s) (GFlops) (ns/day) (hour/ns)<br>
Performance: 932.867 46.259 3.729 6.436<br>Finished mdrun on node 0 Fri Dec 11 22:58:06 2009<br>----------------------------------------------------------------------------------------------------------------------------------<br>
<br>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?<br>Any suggestion is welcome.<br><br>Regards,<br><br>Anirban<br><br><br><br><div class="gmail_quote">On Fri, Dec 18, 2009 at 2:02 PM, Mark Abraham <span dir="ltr"><<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div class="im">Anirban Ghosh wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Thanx Tsjerk for the reply.<br>
I checked the .trr files with gmxcheck and one of the .trr files is giving the error:<br>
<br>
---------------------------------------------------------------------------------------------------------------------------<br>
Checking file PRO_DAH_10_NS.part0004.trr<br>
trn version: GMX_trn_file (single precision)<br>
Reading frame 0 time 10000.000 # Atoms 135496<br>
Reading frame 1400 time 12800.001 -------------------------------------------------------<br>
Program gmxcheck, VERSION 4.0.5<br>
Source code file: trnio.c, line: 66<br>
<br>
File input/output error:<br>
Can not determine precision of trn file<br>
----------------------------------------------------------------------------------------------------------------------------<br>
<br>
Is there any way to recover this .trr file? Or do I need to re-run the simulation again?<br>
</blockquote>
<br></div>
Probably. Did the simulation end correctly? Did you run out of disk space?<br>
<br>
Mark<br><font color="#888888">
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