[gmx-users] how to solve this broken trjactory
bmmothan at ucalgary.ca
Tue Nov 27 22:38:18 CET 2007
I have non-zero file. The trjconv goes up to 13ns and then reports the
error i described below. It seemed to me when the disk was full, it didnt
write to the .trr file and still wrote in the log files since the
calculations is running! It seems i cant recover the rest of the trjactory
even though it is still running and producing results for the AFM file.
> Belquis Mothana wrote:
>> Hello all,
>> I am wondering if you can help me out with this trouble. I had a full
>> space but my calculations finished as I can see from the log file.
>> calculation continued to run and I freed some space and the calculation
>> are still running. I tried to analysis the trjactory to see how the
>> calculation is doing..but trjconv and gmxcheck gives me this error:
>> Program trjconv, VERSION 3.3.1
>> Source code file: trnio.c, line: 66
>> File input/output error:
>> Can not determine precision of trn file
>> Please help me out as I need to analyze these trjactories as they have
>> been running for 4 weeks.
> Well there's various lessons here. Whatever's been written to disk are
> the only resources you have. You can use gmxcheck to find out exactly
> what you have. Does the file have non-zero size? There may be some
> helpful information here http://wiki.gromacs.org/index.php/Doing_Restarts
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