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 # Using KIM Simulator Model : Sim_LAMMPS_EAMCD_StukowskiSadighErhart_2009_FeCr__SM_775564499513_000 # For Simulator : LAMMPS 12 Dec 2018 # Running on : LAMMPS 30 Jul 2021 # Created orthogonal box = (-25.000000 -25.000000 -25.000000) to (25.000000 25.000000 25.000000) 1 by 1 by 1 MPI processor grid Created 1 atoms using lattice units in orthogonal box = (-25.000000 -25.000000 -25.000000) to (25.000000 25.000000 25.000000) create_atoms CPU = 0.000 seconds Changing box ... orthogonal box = (-25.000000 -25.000000 -25.000000) to (25.000000 25.000000 25.000000) orthogonal box = (-25.000000 -25.000000 -25.000000) to (25.000000 25.000000 25.000000) orthogonal box = (-25.000000 -25.000000 -25.000000) to (25.000000 25.000000 25.000000) Reading eam/alloy potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXIjsJwf/FeCr.cdeam with DATE: 2009-11-05 Reading potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXIjsJwf/FeCr.cdeam with DATE: 2009-11-05 ERROR: The first element from the EAM file must be mapped to exactly one atom type. (src/MANYBODY/pair_eam_cd.cpp:489) Last command: pair_coeff * * /tmp/kim-shared-library-parameter-file-directory-XXXXXXIjsJwf/FeCr.cdeam Cr