[gmx-users] Segmentation Fault

[George Abadir]

It says:
"Starting mdrun 'ICE in water'
300000 steps,   45.0 ps
Back off! I just backed up final traj.trr to ./#finaltraj.trr.20#
Segmentation Fault"

Thank you,
George

Mark Abraham wrote:

> George Abadir wrote:
>
>> Hi,
>>     I am doing a simulation of a carbon nanotube in water. I have 
>> done the energy minimization successfully and when I passed to the 
>> molecular dynamics simulation it terminated with "Segmentation 
>> Fault". It seems the only way to bypass this is to reduce the time 
>> step "dt" to 0.1 fs which is very low and thus the simulation takes 
>> very long (actually it has been running for 6 hours now and yet no 
>> more errors anyway). What is the reason of this error? Does anybody 
>> know of a better solution? Is there something to change in the input 
>> parameters or a further step needed that allows the use of a larger 
>> timestep?
>
>
> You'll need to tell us what GROMACS says other than "Segmentation 
> Fault". Segfaults are generic memory errors that can't be traced 
> without more information.
>
> Mark
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