LAMMPS (16 Mar 2018)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:90)
  using 1 OpenMP thread(s) per MPI task
# bulk Ni in ADP

units		metal
atom_style	atomic

lattice		fcc 3.52
Lattice spacing in x,y,z = 3.52 3.52 3.52
region		box block 0 20 0 20 0 20
create_box	1 box
Created orthogonal box = (0 0 0) to (70.4 70.4 70.4)
  1 by 1 by 1 MPI processor grid
create_atoms	1 box
Created 32000 atoms
  Time spent = 0.00184107 secs

pair_style	adp
pair_coeff	* * Ni.adp Ni

velocity	all create 1600.0 376847 loop geom

neighbor	1.0 bin
neigh_modify    delay 5 every 1

fix		1 all nve

timestep	0.005

run		100
Neighbor list info ...
  update every 1 steps, delay 5 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.168
  ghost atom cutoff = 6.168
  binsize = 3.084, bins = 23 23 23
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 27.56 | 27.56 | 27.56 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0         1600      -142400            0   -135782.09    20259.105 
     100    793.05485   -139023.13            0    -135742.9    32175.694 
Loop time of 11.9854 on 1 procs for 100 steps with 32000 atoms

Performance: 3.604 ns/day, 6.659 hours/ns, 8.344 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.447     | 11.447     | 11.447     |   0.0 | 95.51
Neigh   | 0.48465    | 0.48465    | 0.48465    |   0.0 |  4.04
Comm    | 0.019317   | 0.019317   | 0.019317   |   0.0 |  0.16
Output  | 0.00011063 | 0.00011063 | 0.00011063 |   0.0 |  0.00
Modify  | 0.025319   | 0.025319   | 0.025319   |   0.0 |  0.21
Other   |            | 0.009125   |            |       |  0.08

Nlocal:    32000 ave 32000 max 32000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    19911 ave 19911 max 19911 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    1.33704e+06 ave 1.33704e+06 max 1.33704e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1337035
Ave neighs/atom = 41.7823
Neighbor list builds = 13
Dangerous builds = 0

Total wall time: 0:00:12
