LAMMPS (18 Jun 2019) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88) using 1 OpenMP thread(s) per MPI task Lattice spacing in x,y,z = 2.5 2.16506 375 Created triclinic box = (0 0 0) to (2.5 2.16506 375) with tilt (-1.25 0 0) 1 by 1 by 1 MPI processor grid Created 2 atoms create_atoms CPU = 0.000154018 secs Reading potential file ./SM_578912636995_000-files/b'SiC.tersoff.zbl' with DATE: 2009-04-15 WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168) Neighbor list info ... update every 1 steps, delay 0 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 4.1 ghost atom cutoff = 4.1 binsize = 2.05, bins = 2 2 183 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair tersoff/zbl, perpetual attributes: full, newton on pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up cg style minimization ... Unit style : metal Current step : 0 WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies Per MPI rank memory allocation (min/avg/max) = 6.231 | 6.231 | 6.231 Mbytes Step Atoms v_pe_metal v_lx_metal v_lz_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pxy_metal 0 2 -9.9434417 2.5 375 5114.3142 5114.3142 7671.4714 7671.4714 2.804327e-11 100 2 -10.121546 2.525 375 4226.8006 4226.8006 6340.2009 6340.2009 -7.1475837e-11 200 2 -10.268746 2.55 375 3418.9073 3418.9073 5128.3609 5128.3609 -1.7520305e-10 300 2 -10.387371 2.575 375 2684.1211 2684.1211 4026.1816 4026.1816 -3.0398492e-10 400 2 -10.479592 2.6 375 2016.5045 2016.5045 3024.7568 3024.7568 -3.5002232e-10 500 2 -10.547433 2.625 375 1410.635 1410.635 2115.9525 2115.9525 -4.0188994e-10 600 2 -10.592787 2.65 375 861.55129 861.55129 1292.3269 1292.3269 -3.893512e-10 700 2 -10.61742 2.675 375 364.70712 364.70712 547.06068 547.06068 -3.9680406e-10 782 2 -10.62332 2.6951166 375 -1.8159363e-09 -1.8159363e-09 -3.7406263e-09 -1.7071826e-09 -5.1758399e-10 Loop time of 0.00932503 on 1 procs for 782 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x 1 OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -9.94344172843 -10.6233195872 -10.6233195872 Force two-norm initial, final = 13.7444 5.26109e-12 Force max component initial, final = 9.71875 3.72015e-12 Final line search alpha, max atom move = 1 3.72015e-12 Iterations, force evaluations = 782 784 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0049481 | 0.0049481 | 0.0049481 | 0.0 | 53.06 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.0011423 | 0.0011423 | 0.0011423 | 0.0 | 12.25 Output | 0.00030994 | 0.00030994 | 0.00030994 | 0.0 | 3.32 Modify | 0.00032473 | 0.00032473 | 0.00032473 | 0.0 | 3.48 Other | | 0.0026 | | | 27.88 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 98 ave 98 max 98 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 36 ave 36 max 36 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 36 Ave neighs/atom = 18 Neighbor list builds = 0 Dangerous builds = 0 Final surface tension = -1.40273485206048e-06 bar*angstrom Cohesive energy = 5.3116597936174 eV/atom Equilibrium lattice constant = 2.69511664235225 angstrom Total wall time: 0:00:00