Good day lammps-users!
I just want to ask why I keep on getting this error even if I have the ffield.comb3 potential and lib.comb3 potential on the same directory? I am running lammps using a centOS computing cluster.
PairComb3: Found C: reading additional library file
ERROR on proc 0: Cannot open COMB3 lib.comb3 file (…/pair_comb3.cpp:326)
Last command: pair_coeff * * /opt/lammps-20Apr18/potentials/ffield.comb3 C Cu
Thank you very much.
From the manual ( https://lammps.sandia.gov/doc/pair_comb.html ):
“For style comb3, in addition to ffield.comb3, a special parameter file, lib.comb3, that is exclusively used for C/O/H systems, will be automatically loaded if carbon atom is detected in LAMMPS input structure. This file must be in your working directory or in the directory pointed to by the environment variable LAMMPS_POTENTIALS, as described on the pair_coeff command doc page.”
Michal