Dear Lammps users
Now I will talk about same issue which I already solved before with small
size system. In previous case I kept my system in NVE langevin without the
bottom two layers of my substrate and finally I applied velocity keeping the
same group in NVE. In that case everything was running properly. below is my
input script...............But when I made my system large, with the same code it is not running now. I
tried in different ways to solve the problem with below coding...1) Keeping myexact group (same as before without bottom two layers) in
langevin
2) Keeping group stable and graphite in NVE and langevin
3) Keeping substrate and graphite in nveAll times I am getting an error about segmentation problem which has been
attached as a screen capture.
the segfault is not what you should worry about, but the fact, that
your total energy is infinitely large. that is usually a sign for a
bad initial configuration with close or overlapping atoms. you cannot
correct for that through tinkering with the integrator. you need to
identify and remove such overlapping atoms.
there is no need to spam the mailing list multiple times with such an
obvious issue.
axel.