[gmx-users] segmentation fault err

[Mark Abraham]

On 6/03/2012 2:58 AM, shilpa yadahalli wrote:
> Dear gmx-users,
>
> I'm facing "segmentation fault error" while *mdrun*.
> When i checked my md.log file, after 440'th step the kinetic energy 
> energy increases by tenfold and hence the temperature (temp - 
> 6.80141e+01K to 2.21829e+02K). all other values, potential energy etc. 
> are not changing much so i guess this is the cause for fatal error. 
> But I can't figure out the reason behind sudden increase in temperature.
>
> I'm using following options in my mdp file:
> ;Temperature coupling
> tc-grps = system
> tau_t = 1.0 ; Temperature coupling time constant.
> ref_t = 50.0 ; In reduced units
> ;Pressure coupling
> Pcoupl = no
> ;Velocity generation
> gen_vel = yes
> gen_temp = 50.0
>
> Can anybody suggest me, if i'm missing something (to take care of)?
>

You will need to look at the end of the .log and/or stdout file to know, 
but probably this is what is happening 
http://www.gromacs.org/Documentation/Terminology/Blowing_Up

Mark
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