LAMMPS (14 Nov 2012)
Reading data file ...
  orthogonal box = (-6 -6 -6) to (5.97232 5.97232 5.97232)
  1 by 1 by 1 MPI processor grid
  128 atoms
Setting up run ...
Memory usage per processor = 1.5749 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0         1000   -619.25494            0   -602.83891   -310061.65 
    1000    518.63689   -657.18243            0   -648.66847   -262517.08 
Loop time of 2.11155 on 1 procs for 1000 steps with 128 atoms

Pair  time (%) = 2.07769 (98.3963)
Neigh time (%) = 0.00302291 (0.14316)
Comm  time (%) = 0.015331 (0.726054)
Outpt time (%) = 0.000319004 (0.0151075)
Other time (%) = 0.0151908 (0.719415)

Nlocal:    128 ave 128 max 128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    678 ave 678 max 678 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:  4806 ave 4806 max 4806 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 4806
Ave neighs/atom = 37.5469
Neighbor list builds = 3
Dangerous builds = 0
Setting up run ...
Memory usage per processor = 1.5749 Mbytes
Step Temp E_pair E_mol TotEng Press 
    1000    518.63689   -657.18243            0   -648.66847   -262517.08 
    2000    782.93464   -652.33466            0   -639.48197   -243218.13 
    3000    1023.8321   -655.85146            0   -639.04419    -237458.7 
Loop time of 3.76981 on 1 procs for 2000 steps with 128 atoms

Pair  time (%) = 3.71148 (98.4526)
Neigh time (%) = 0.00178933 (0.0474648)
Comm  time (%) = 0.0280266 (0.743448)
Outpt time (%) = 0.000627041 (0.0166332)
Other time (%) = 0.0278914 (0.739862)

Nlocal:    128 ave 128 max 128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    682 ave 682 max 682 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:  4846 ave 4846 max 4846 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 4846
Ave neighs/atom = 37.8594
Neighbor list builds = 3
Dangerous builds = 0
Setting up run ...
Memory usage per processor = 1.5749 Mbytes
Step Temp E_pair E_mol TotEng Press 
    3000    1023.8321   -655.85146            0   -639.04419    -237458.7 
    4000    1010.4379   -664.96612            0   -648.37873   -188633.58 
Loop time of 1.80039 on 1 procs for 1000 steps with 128 atoms

Pair  time (%) = 1.76973 (98.2966)
Neigh time (%) = 0.00237679 (0.132015)
Comm  time (%) = 0.0140402 (0.779842)
Outpt time (%) = 0.00030899 (0.0171624)
Other time (%) = 0.0139418 (0.774373)

Nlocal:    128 ave 128 max 128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    663 ave 663 max 663 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:  4866 ave 4866 max 4866 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 4866
Ave neighs/atom = 38.0156
Neighbor list builds = 4
Dangerous builds = 0
WARNING: Resetting reneighboring criteria during minimization (min.cpp:173)
Setting up minimization ...
Memory usage per processor = 2.27034 Mbytes
Step Temp E_pair E_mol TotEng Press 
    4000    1010.4379   -664.96612            0   -648.37873   -188633.58 
    4042    1010.4379   -679.96924            0   -663.38185   -192043.75 
Loop time of 0.370831 on 1 procs for 42 steps with 128 atoms

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -664.966120138     -679.968690387     -679.969241959
  Force two-norm initial, final = 30.1101 0.534807
  Force max component initial, final = 7.29405 0.151203
  Final line search alpha, max atom move = 0.00110664 0.000167327
  Iterations, force evaluations = 42 207

Pair  time (%) = 0.365546 (98.5748)
Neigh time (%) = 0 (0)
Comm  time (%) = 0.00288916 (0.779103)
Outpt time (%) = 0 (0)
Other time (%) = 0.00239587 (0.646081)

Nlocal:    128 ave 128 max 128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    668 ave 668 max 668 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:  4834 ave 4834 max 4834 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 4834
Ave neighs/atom = 37.7656
Neighbor list builds = 0
Dangerous builds = 0
All done
