[gmx-users] Segmentation fault in mdrun!!!!!!!!!!!!

[David]

On Sun, 2003-02-23 at 05:38, nanyu101 wrote:
> Dear gmx-users,
>  I don't know what happened to my system.I just try to minimize my bilayer(POPC128a.PDB) downloaded from Dr.Tieleman't web.I think I'v succeeded in energy minimization and tried to run some dynamics simulation.But when I run,
> mdrun -s popcmd.tpr -o popcmd.trr -c popcmd.gro
> 
> The system told as follows. The file popcmd.tpr comes from my energy minization's results.
> 
> Back Off! I just backed up ener.edr to ./#ener.edr.1#
> starting mdrun 'popc'
> 20000 steps,     20.0 ps.
> 
> 
> Back Off! I just backed up popcem.trr to ./#popcem.trr.1#
> Segmentation fault
> 
> 
> Would you please tell me what happened?
What happened is a memory violation in the program. Writing an array
outside its bounds. This can be due to two things: bugs, or large
forces. Since you have reported problems equilibrating your system the
latter seems most likely.
 

-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++