LAMMPS (15 Jan 2012) Reading data file ... triclinic box = (0 0 0) to (60.4 29.76 29.76) with tilt (0 0 0) 1 by 1 by 1 MPI processor grid 4126 atoms 924 atoms in group type1 1618 atoms in group type2 1584 atoms in group type3 Pair COMB: generating Coulomb integral lookup table ... will not apply over-coordination correction ... Setting up run ... Memory usage per processor = 21.1267 Mbytes Step Temp Press press2 PotEng pe1 E_vdwl E_coul q1 q2 q3 0 0 -21062.812 -21062.812 -5.3043735 -5.3043735 1.8604245 -7.1647981 2.6805356 -1.5705518 0.040617531 1 0.023813704 -21346.515 -21346.515 -5.3439862 -5.3439862 1.7891755 -7.1331617 2.6805356 -1.5705518 0.040617531 2 0.097355041 -21345.896 -21345.896 -5.3439956 -5.3439956 1.7891688 -7.1331644 2.6805356 -1.5705518 0.040617531 3 0.22149765 -21344.815 -21344.815 -5.3433952 -5.3433952 1.7897739 -7.133169 2.6805356 -1.5705519 0.040617609 4 0.3962327 -21349.639 -21349.639 -5.3426042 -5.3426042 1.7905718 -7.133176 2.6805352 -1.5705524 0.04061831 5 0.62154938 -21346.85 -21346.85 -5.3426337 -5.3426337 1.7905512 -7.1331848 2.680535 -1.5705527 0.040618753 Loop time of 3.36797 on 1 procs for 5 steps with 4126 atoms Pair time (%) = 1.76898 (52.5237) Neigh time (%) = 0 (0) Comm time (%) = 0.000701077 (0.020816) Outpt time (%) = 0.0628298 (1.86551) Other time (%) = 1.53546 (45.59) Nlocal: 4126 ave 4126 max 4126 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 17632 ave 17632 max 17632 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: 3.29951e+06 ave 3.29951e+06 max 3.29951e+06 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 3299506 Ave neighs/atom = 799.686 Neighbor list builds = 0 Dangerous builds = 0