[gmx-users] segmentation fault in md

[David van der Spoel]

Martin Höfling wrote:
> Am Dienstag, 11. September 2007 schrieb Rui Li:
> 
>> When I ran
>> mdrun -v -s enz_pr.tpr -o enz_pr.trr -c enz_b4md.pdb -g pr.log -e pr.edr >&
>> pr.job &
>>
>> It stopped and prompted "segmentation fault " after about 10 second
>>
>> and in the end of pr.job, it prompt
>> "step 20, will finish at Tue Sep 11 22:38:22 2007
>> Wrote pdb files with previous and current coordinates"
>>
>> what's wrong with it?
> 
> You need  to file a bug with your input attached, so that the developers can 
> reproduce the problem. Normally, no segmentation faults should occur on 
> undamaged hardware and if they do, then it's a bug of the software (if the 
> input is correct).
> 
> Best
> 	Martin
> 
sorry but I don't think this is due to a bug, rather poor starting 
structure. go to http://wiki.gromacs.org for tips.


-- 
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se