LAMMPS (9 Nov 2016)
  using 1 OpenMP thread(s) per MPI task

units metal
boundary p p p
read_data vac.data
  orthogonal box = (0 0 0) to (8.07113 8.07113 8.07113)
  1 by 1 by 1 MPI processor grid
  reading atoms ...
  31 atoms

pair_style agni
pair_coeff * * Al_prb.agni Al
Reading potential file Al_prb.agni with DATE: 2016-11-11
neighbor 0.3 bin
neigh_modify delay 2 check yes


timestep 0.0005
velocity all create 1000 12345
fix 1 all nvt temp 900 900 200
fix 5 all momentum 1 linear 1 1 1


thermo 100
thermo_style custom step ke etotal temp

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

run 1000
Neighbor list info ...
  1 neighbor list requests
  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 = 2 2 2
Memory usage per processor = 2.40842 Mbytes
Step KinEng TotEng Temp 
       0    3.8778043    3.8778043         1000 
     100    2.8126642    2.8126642    725.32391 
     200    3.7110413    3.7110413     956.9955 
     300    3.2361084    3.2361084    834.52081 
     400    3.4625769    3.4625769    892.92201 
     500    3.4563307    3.4563307    891.31126 
     600    2.8486344    2.8486344    734.59982 
     700    3.1183057    3.1183057    804.14208 
     800    2.9164818    2.9164818    752.09618 
     900     3.464416     3.464416    893.39629 
    1000    3.5954546    3.5954546    927.18825 
Loop time of 3.86777 on 1 procs for 1000 steps with 31 atoms

Performance: 11.169 ns/day, 2.149 hours/ns, 258.547 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 3.8463     | 3.8463     | 3.8463     |   0.0 | 99.44
Neigh   | 0.011294   | 0.011294   | 0.011294   |   0.0 |  0.29
Comm    | 0.0057271  | 0.0057271  | 0.0057271  |   0.0 |  0.15
Output  | 0.00014257 | 0.00014257 | 0.00014257 |   0.0 |  0.00
Modify  | 0.0029459  | 0.0029459  | 0.0029459  |   0.0 |  0.08
Other   |            | 0.001395   |            |       |  0.04

Nlocal:    31 ave 31 max 31 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    878 ave 878 max 878 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:  4334 ave 4334 max 4334 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 4334
Ave neighs/atom = 139.806
Neighbor list builds = 51
Dangerous builds = 0

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

Total wall time: 0:00:03