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_Hybrid_DuanXieGuo_2019__SM_016305073020_000 # For Simulator : LAMMPS 30 Jul 2021 # 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) WARNING: 482 of 1000 force values in table HeHe_Aziz are inconsistent with -dE/dr. WARNING: Should only be flagged at inflection points (src/pair_table.cpp:462) ERROR: Numeric index 2 is out of bounds (1-1) (src/pair_hybrid.cpp:473) Last command: pair_coeff 1 2 table /tmp/kim-shared-library-parameter-file-directory-XXXXXXmzHBxc/TaHe.Juslin.table TaHe_Juslin