LAMMPS (18 Feb 2013) # 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 1 by 1 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 50 dump.meam #dump 1 all image 10 image.*.jpg element element # axes yes 0.8 0.02 view 60 -30 #dump_modify 1 pad 3 element Si C run 100 Memory usage per processor = 5.10826 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 0.0824008 on 1 procs for 100 steps with 128 atoms Pair time (%) = 0.0791755 (96.0858) Neigh time (%) = 0.00218797 (2.65527) Comm time (%) = 0.000564575 (0.685157) Outpt time (%) = 0.000112295 (0.136279) Other time (%) = 0.000360489 (0.437482) Nlocal: 128 ave 128 max 128 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 543 ave 543 max 543 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1526 ave 1526 max 1526 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 3052 ave 3052 max 3052 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 3052 Ave neighs/atom = 23.8438 Neighbor list builds = 10 Dangerous builds = 10