ERROR: Illegal pair_style command (src/KSPACE/pair_lj_charmm_coul_long.cpp:627)

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1

Got an error just at the beginning.

From log.lammps:

LAMMPS (29 Aug 2024 - Update 2)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
using 1 OpenMP thread(s) per MPI task

units real
atom_style full

bond_style harmonic
angle_style harmonic

dihedral_style charmm

#pair_style lj/charmmfsw/coul/long
pair_style lj/charmm/coul/long
ERROR: Illegal pair_style command (src/KSPACE/pair_lj_charmm_coul_long.cpp:627)
Last command: pair_style lj/charmm/coul/long

Any hint/suggestion? Thanks.

2

Please study the documentation for that command. It is obviously incorrect and LAMMPS agrees.

3

Axel, Thanks! My bad. It should be like:
pair_style lj/charmm/coul/long 12.0 14.0