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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