LAMMPS (10 Jan 2012) # Test of MEAM potential for SiC system units metal boundary p p p atom_style atomic read_data data.meam orthogonal box = (-6 -6 -6) to (5.97232 5.97232 5.97232) 1 by 2 by 2 MPI processor grid 128 atoms pair_style meam pair_coeff * * library.meam Si C SiC.meam Si C neighbor 0.3 bin neigh_modify delay 10 fix 1 all nve thermo 10 timestep 0.001 dump 1 all atom 10 dump.meam run 100 Memory usage per processor = 4.99306 Mbytes Step Temp E_pair E_mol TotEng Press 0 0 -636.38121 0 -636.38121 -76571.819 10 1807.8862 -666.21959 0 -636.54126 -150571.49 20 1932.4467 -668.2581 0 -636.53498 -120223.52 30 1951.3652 -668.58139 0 -636.54771 -100508.4 40 2172.5974 -672.22715 0 -636.5617 -110753.34 50 2056.9149 -670.33108 0 -636.56468 -105418.07 60 1947.9564 -668.52788 0 -636.55015 -111413.04 70 1994.7712 -669.28849 0 -636.54225 -109645.76 80 2126.0903 -671.43755 0 -636.53557 -97475.831 90 2065.755 -670.4349 0 -636.52338 -95858.837 100 2051.4553 -670.20799 0 -636.53122 -107068.9 Loop time of 0.03332 on 4 procs for 100 steps with 128 atoms Pair time (%) = 0.0281992 (84.6316) Neigh time (%) = 0.000612736 (1.83895) Comm time (%) = 0.00279725 (8.39511) Outpt time (%) = 0.00148147 (4.44621) Other time (%) = 0.000229299 (0.688174) Nlocal: 32 ave 36 max 30 min Histogram: 1 2 0 0 0 0 0 0 0 1 Nghost: 293.75 ave 305 max 285 min Histogram: 2 0 0 0 0 0 0 1 0 1 Neighs: 381.5 ave 413 max 334 min Histogram: 1 0 0 0 1 0 0 0 0 2 FullNghs: 763 ave 866 max 678 min Histogram: 1 0 1 0 0 1 0 0 0 1 Total # of neighbors = 3052 Ave neighs/atom = 23.8438 Neighbor list builds = 10 Dangerous builds = 10