ERROR on proc 0: All pair coeffs are not set (../pair_hybrid.cpp:504)

All lammps user,

I am new to lammps, I have write a lamps code about the CBN grinding wheel to cutting Fe alloy,there are 4 atoms in my program. I have used the hybrid eam/fs tersoff lj/cut 10.0 as a pair_style and define the pair_coeffs, while the lammps shows all pair coeffs are not set. I can’t figure out the problem about my code.

the pair define as follow:

pair_style hybrid eam/fs tersoff lj/cut 10.0
pair_coeff * * eam/fs Fe_mm.eam.fs Fe Fe NULL NULL #Fe-Fe
pair_coeff 1 2 lj/cut 0.00759200 3.5 9.7625 #Fe-C
pair_coeff * * tersoff BNC.tersoff NULL NULL B N #B-N
pair_coeff 1 3 lj/cut 0.0071 3.0 #Fe-B
pair_coeff 2 4 lj/cut 0.004068 3.367 #N-C
pair_coeff 2 3 lj/cut 0.003311 3.411 #B-C
pair_coeff 2 2 lj/cut 0.00284 3.4 #C-C

I also see the log.lammps file and find when the lammps program read the command ‘run’,it will stop.

the attachment is my code.

College of Mechanical Engineering, Donghua University

Room 3034, academy building 4, 2999 North Renmin Road, Songjiang District

Shanghai, 201620, China

Tel: 86-159-0160-8286

Email: [email protected]…8…

lammps (199 KB)

I have already answered this qustion of yours.


The 1-4 interactions are not set.