Regd. TiO2 nanorod equilibriation crash

Dear all,

I am trying to equilibrate TiO2 nanotube structure using pair_style comb3 but lammps is crashing on running the attached input script. Please help me find my mistake.

Regards,
Abhinav Shukla
Senior Year Undergraduate
IIT Bhubaneswar

in.tio2 (1.55 KB)

Dear all,

I am trying to equilibrate TiO2 nanotube structure using pair_style comb3
but lammps is crashing on running the attached input script. Please help me
find my mistake.

​please study the documentation and find and correct the mistake yourself.
what you have written is *very* obviously in conflict with the
documentation.
LAMMPS Molecular Dynamics Simulator

you cannot expect LAMMPS to work, if you don't feed it a correct input, and
it is not the job of the mailing list to do this correction for you.

axel.