#-------------------------- FORCE FIELD ------------------------------------------
pair_style snap
pair_coeff * * snap Cu.snapcoeff Cu.snapparam Cu
am trying to use the machine learned interatomic potential from the nist repository in my lammps code but facing this issue
error on proc 0: cannot open snap coefficient file snap: (…/pair_snap.cpp:474) last command: pair_coeff * * snap cu.snapcoeff cu.snapparam cu abort(1) on node 0 (rank 0 in comm 0): application called mpi_abort(mpi_comm_world, 1) - process 0
Most likely this error is generated because the snap coefficient file is not in the same directory with your input script. Is this the case?
But i have all the 3 files (Cu.snapcoeff Cu.snapparam and input file) and the run file all in the same directory, But still facing the same issue.
And I also checked for the permissions, It is of read and write format only.
Is the name of your coefficient file snap?
According to the documentation (pair_style snap command — LAMMPS documentation) the filename of the coefficient file comes right after the two asterisks. So the command should be something like
pair_coeff * * Cu.snapcoeff Cu.snapparam Cu
Thank you so much for the advice. Guess its resolved now.