[gmx-users] trjcat error

[Anirban Ghosh]

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.Abraham at 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
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