LAMMPS (21 Feb 2017)
  using 1 OpenMP thread(s) per MPI task

processors * * 1
units metal
boundary p p f
read_data adatom.data
  orthogonal box = (0 0 0) to (17.1214 14.8276 39.3197)
  1 by 1 by 1 MPI processor grid
  reading atoms ...
  181 atoms

pair_style agni
pair_coeff * * Al_jpc.agni Al
Reading potential file Al_jpc.agni with DATE: 2017-02-24

neighbor 0.3 bin
neigh_modify delay 2 check yes

timestep 0.0005
velocity all create 500 12345
fix 1 all nvt temp 250 250 0.2
fix 5 all momentum 1 linear 1 1 1

thermo 100
thermo_style custom step ke temp

# dump MyDump all custom 250 dump.atoms id type x y z vx vy vz fx fy fz

run 1000
Neighbor list info ...
  update every 1 steps, delay 2 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.3
  ghost atom cutoff = 8.3
  binsize = 4.15, bins = 5 4 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair agni, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Memory usage per processor = 2.69795 Mbytes
Step KinEng Temp 
       0    11.633413          500 
     100    4.6059939      197.964 
     200    7.3700149    316.76065 
     300    6.0443913    259.78581 
     400    6.1631189    264.88868 
     500    6.2647272    269.25577 
     600    5.2732539     226.6426 
     700    5.6514471    242.89721 
     800    6.5572407     281.8279 
     900    6.0576738    260.35669 
    1000    6.5622233    282.04205 
Loop time of 51.9308 on 1 procs for 1000 steps with 181 atoms

Performance: 0.832 ns/day, 28.850 hours/ns, 19.256 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.89      | 51.89      | 51.89      |   0.0 | 99.92
Neigh   | 0.023158   | 0.023158   | 0.023158   |   0.0 |  0.04
Comm    | 0.0049036  | 0.0049036  | 0.0049036  |   0.0 |  0.01
Output  | 0.0002594  | 0.0002594  | 0.0002594  |   0.0 |  0.00
Modify  | 0.010244   | 0.010244   | 0.010244   |   0.0 |  0.02
Other   |            | 0.002483   |            |       |  0.00

Nlocal:    181 ave 181 max 181 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    563 ave 563 max 563 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:  19484 ave 19484 max 19484 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 19484
Ave neighs/atom = 107.646
Neighbor list builds = 33
Dangerous builds = 0

Please see the log.cite file for references relevant to this simulation

Total wall time: 0:00:52
