LAMMPS (30 Jul 2021) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) using 1 OpenMP thread(s) per MPI task OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) using 1 OpenMP thread(s) per MPI task # Using KIM Simulator Model : Sim_LAMMPS_MEAM_ParkFellingerLenosky_2012_Mo__SM_769176993156_000 # For Simulator : LAMMPS 22 Sep 2017 # Running on : LAMMPS 30 Jul 2021 # Lattice spacing in x,y,z = 3.1674131 3.1674131 3.1674131 Created orthogonal box = (0.0000000 -31.674131 0.0000000) to (4.4793986 31.674131 4.4793986) 1 by 1 by 1 MPI processor grid Lattice spacing in x,y,z = 4.4793986 3.1674131 4.4793986 Created 40 atoms using lattice units in orthogonal box = (0.0000000 -31.674131 0.0000000) to (4.4793986 31.674131 4.4793986) create_atoms CPU = 0.000 seconds 40 atoms in group upper Displacing atoms ... Lattice spacing in x,y,z = 4.4793986 3.1674131 4.4793986 Created 42 atoms using lattice units in orthogonal box = (0.0000000 -31.674131 0.0000000) to (4.4793986 31.674131 4.4793986) create_atoms CPU = 0.000 seconds 42 atoms in group lower Displacing atoms ... ERROR: Pair style meam/spline requires one atom type per element (src/MANYBODY/pair_meam_spline.cpp:499) Last command: pair_coeff * * /tmp/kim-shared-library-parameter-file-directory-XXXXXXUIiXeH/coeff.Mo.meam.spline Mo Mo