LAMMPS (2 Aug 2023 - Update 1) 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_EAMCD_StukowskiSadighErhart_2009_FeCr__SM_775564499513_000 # For Simulator : LAMMPS 12 Dec 2018 # Running on : LAMMPS 2 Aug 2023 # Lattice spacing in x,y,z = 2.8553237 2.8553237 2.8553237 Created orthogonal box = (0 0 0) to (28.553237 28.553237 28.553237) 1 by 1 by 1 MPI processor grid Created 2000 atoms using lattice units in orthogonal box = (0 0 0) to (28.553237 28.553237 28.553237) create_atoms CPU = 0.000 seconds Reading eam/alloy potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX1iUSC4/FeCr.cdeam with DATE: 2009-11-05 Reading potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX1iUSC4/FeCr.cdeam with DATE: 2009-11-05 ERROR: The second element from the EAM file must be mapped to exactly one atom type. (src/MANYBODY/pair_eam_cd.cpp:478) Last command: pair_coeff * * /tmp/kim-shared-library-parameter-file-directory-XXXXXX1iUSC4/FeCr.cdeam Fe