Lammps hbondchk failed

You may find some inspiration in previous post as this error keeps coming back with ReaxFF for similar reasons.

You should also take a look at the documentation, because you are using the temp keyword with fix nve (it may not trigger any error because temp 900.0 900.0 100.0 seem to be ignored by LAMMPS, but I don’t get the logic of having this command + Berendsen thermostat):

Simon