[gmx-users] Segmentation Fault

[George Abadir]

Hi,
     The log file doesn't give any more errors or warnings, grompp did 
not give any errors, and yes the energy minimization succeeded.
Thanks alot for your concern,
George

Tsjerk Wassenaar wrote:

> Hi George,
>
> And what does the .log tell you? Did grompp give any errors? Did
> energy minimization succeed?
>
> Cheers,
>
> Tsjerk
>
> On 4/24/07, George Abadir <georgea at ece.ubc.ca> wrote:
>
>> 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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