log.5Oct16.eim.g++.1

LAMMPS (5 Oct 2016)
# NaCl test problem for embedded atom method (EIM) potential

units		metal
atom_style      atomic

boundary	p p p

lattice         diamond 5.0
Lattice spacing in x,y,z = 5 5 5
read_data       data.eim
  orthogonal box = (-0.5 -0.5 -0.5) to (35.54 35.54 35.54)
  1 by 1 by 1 MPI processor grid
  reading atoms ...
  2000 atoms
  reading velocities ...
  2000 velocities

pair_style      eim
pair_coeff      * * Na Cl ffield.eim Na Cl
Reading potential file ffield.eim with DATE: 2010-08-31

neighbor	0.3 bin
neigh_modify	delay 0

timestep        0.001
thermo_style    custom step pe pxx pyy pzz temp
thermo          50

velocity        all create 1400.0 43454 dist gaussian mom yes
fix             int all npt temp 1400.0 300.0 0.1 aniso 0.0 0.0 0.1

#dump		id all atom 100 dump.eim

#dump		2 all image 25 image.*.jpg element element #		axes yes 0.8 0.02 view 60 -30
#dump_modify	2 pad 3 element Na Cl

#dump		3 all movie 25 movie.mpg element element #		axes yes 0.8 0.02 view 60 -30
#dump_modify	3 pad 3 element Na Cl

run             500
Neighbor list info ...
  1 neighbor list requests
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.906
  ghost atom cutoff = 7.906
  binsize = 3.953 -> bins = 10 10 10
Memory usage per processor = 2.76959 Mbytes
Step PotEng Pxx Pyy Pzz Temp 
       0   -5660.4738   -118151.29   -117613.39   -118064.41         1400 
      50   -5773.8661    889.73924    898.43321     703.5365    891.68472 
     100   -5742.8192     866.6183    817.86837    889.72898    838.77403 
     150    -5738.752   -335.23317   -345.69716    -123.3196    900.54672 
     200   -5704.2444   -172.01932   -508.83888   -654.45947    834.82705 
     250   -5724.4679    375.50199    546.99196    405.29298    966.14585 
     300   -5718.5442    428.47856    361.93998    752.00729    934.57116 
     350   -5722.7694   -409.40162   -484.53168    42.702482    865.13075 
     400   -5743.6862    173.43552    288.02324    107.96614    840.48912 
     450   -5751.3366   -752.54635   -762.07316   -591.45022    743.42176 
     500   -5780.5266   -157.23981    84.510897   -52.426827    712.64129 
Loop time of 5.86191 on 1 procs for 500 steps with 2000 atoms

Performance: 7.370 ns/day, 3.257 hours/ns, 85.296 timesteps/s
99.8% CPU use with 1 MPI tasks x no OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.4001     | 5.4001     | 5.4001     |   0.0 | 92.12
Neigh   | 0.37572    | 0.37572    | 0.37572    |   0.0 |  6.41
Comm    | 0.019177   | 0.019177   | 0.019177   |   0.0 |  0.33
Output  | 0.00028348 | 0.00028348 | 0.00028348 |   0.0 |  0.00
Modify  | 0.057656   | 0.057656   | 0.057656   |   0.0 |  0.98
Other   |            | 0.008926   |            |       |  0.15

Nlocal:    2000 ave 2000 max 2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    4194 ave 4194 max 4194 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    99537 ave 99537 max 99537 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 99537
Ave neighs/atom = 49.7685
Neighbor list builds = 89
Dangerous builds = 10
Total wall time: 0:00:05