LAMMPS (5 Oct 2016)
# 3d Lennard-Jones melt

units		lj
atom_style	atomic
processors      * 1 1

variable	factor index 1.0

lattice		fcc 0.8442
Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
region		box block 0 10 0 10 0 10
create_box	3 box
Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
  4 by 1 by 1 MPI processor grid
create_atoms	1 box
Created 4000 atoms
mass		* 1.0

region		long block 3 6 0 10 0 10
set             region long type 2
  1400 settings made for type

velocity	all create 1.0 87287

pair_style	lj/cut 2.5
pair_coeff	* * 1.0 1.0 2.5
pair_coeff      * 2 1.0 1.0 5.0

neighbor	0.3 bin
neigh_modify	every 2 delay 4 check yes

group		fast type 1
2600 atoms in group fast
group		slow type 2
1400 atoms in group slow
balance		1.0 shift x 5 1.1                 weight group 2 fast 1.0 slow ${factor} # out weighted.txt
balance		1.0 shift x 5 1.1                 weight group 2 fast 1.0 slow 1.0 
Neighbor list info ...
  1 neighbor list requests
  update every 2 steps, delay 4 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.3
  ghost atom cutoff = 5.3
  binsize = 2.65 -> bins = 7 7 7
  rebalancing time: 0.000472069 seconds
  iteration count = 2
  group weights: fast=1 slow=1
  initial/final max load/proc = 1200 1200
  initial/final imbalance factor = 1.2 1.2
  x cuts: 0 0.25 0.5 0.6875 1
  y cuts: 0 1
  z cuts: 0 1
fix		0 all balance 10 1.0 shift x 5 1.1                 weight group 2 fast 1.0 slow ${factor}
fix		0 all balance 10 1.0 shift x 5 1.1                 weight group 2 fast 1.0 slow 1.0

fix		1 all nve

#dump		id all atom 50 dump.melt

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

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

thermo		50
run		250
Memory usage per processor = 2.9192 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
       0            1   -6.9453205            0   -5.4456955   -5.6812358    4738.2137 
      50   0.48653399   -6.1788509            0   -5.4492324   -1.6017778    4738.2137 
     100   0.53411175    -6.249885            0   -5.4489177   -1.9317606    4738.2137 
     150   0.53646658   -6.2527206            0   -5.4482219   -1.9689568    4738.2137 
     200   0.54551611   -6.2656326            0   -5.4475631   -2.0042104    4738.2137 
     250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995    4738.2137 
Loop time of 1.40299 on 4 procs for 250 steps with 4000 atoms

Performance: 76978.657 tau/day, 178.191 timesteps/s
99.0% CPU use with 4 MPI tasks x no OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.22572    | 0.65681    | 1.1571     |  45.2 | 46.82
Neigh   | 0.16769    | 0.18555    | 0.20139    |   3.0 | 13.23
Comm    | 0.033973   | 0.55042    | 0.99983    |  51.1 | 39.23
Output  | 0.00012207 | 0.00013012 | 0.00014353 |   0.1 |  0.01
Modify  | 0.0053966  | 0.0054266  | 0.0054569  |   0.0 |  0.39
Other   |            | 0.004645   |            |       |  0.33

Nlocal:    1000 ave 1001 max 999 min
Histogram: 1 0 0 0 0 2 0 0 0 1
Nghost:    8727 ave 8761 max 8674 min
Histogram: 1 0 0 0 0 0 1 1 0 1
Neighs:    149349 ave 260848 max 51191 min
Histogram: 1 1 0 0 0 0 1 0 0 1

Total # of neighbors = 597396
Ave neighs/atom = 149.349
Neighbor list builds = 25
Dangerous builds = 0
Total wall time: 0:00:01
