LAMMPS (5 Oct 2016)
# Pour 2d granular particles into container

dimension	2
atom_style	sphere
atom_modify     map array
boundary	f fm p
newton		off
comm_modify	vel yes cutoff 2.5

fix             prop all property/atom mol ghost yes

region		reg block 0 100 0 50 -0.5 0.5 units box
create_box	1 reg
Created orthogonal box = (0 0 -0.5) to (100 50 0.5)
  1 by 1 by 1 MPI processor grid

neighbor	0.2 bin
neigh_modify	delay 0

# IMPORTANT NOTE: these values of stiffness (4000) and timestep (0.001)
# are used in this example file to produce a quick simulation and movie.
# More appropriate values for realistic simulations would be
# k = 4.0e5 and dt = 0.0001, as in bench/in.chute (if it were Hertzian).

pair_style      gran/hertz/history 4000.0 NULL 100.0 NULL 0.5 0
pair_coeff	* *

timestep	0.001

fix		2 all gravity 1.0 spherical 0.0 -180.0
fix		xwalls all wall/gran hertz/history 4000.0 NULL 100.0 NULL 0 1 		xplane 0 100
fix		ywalls all wall/gran hertz/history 4000.0 NULL 100.0 NULL 0 1 		yplane 0 NULL

molecule        object molecule.vshape
Read molecule object:
  5 atoms with 1 types
  0 bonds with 0 types
  0 angles with 0 types
  0 dihedrals with 0 types
  0 impropers with 0 types
fix             3 all rigid/small molecule mol object
0 rigid bodies with 0 atoms
  2.23607 = max distance from body owner to body atom

# insure region size + molecule size does not overlap wall

region          slab block 3.0 97.0 30 34.5 -0.5 0.5 units box
fix             ins all pour 500 0 4767548 vol 0.8 10 	        region slab mol object rigid 3
Particle insertion: 26 every 3000 steps, 500 by step 57001

fix             4 all enforce2d

compute		1 all erotate/sphere
compute         Tsphere all temp/sphere
thermo_style	custom step atoms ke c_1 vol
thermo_modify	lost ignore norm no temp Tsphere
compute_modify	Tsphere dynamic yes

thermo		1000

#dump		id all atom 100 tmp.dump

#variable        colors string #                "red green blue yellow white #                purple pink orange lime gray"
#variable	mol2 atom mol%10
#dump		2 all image 250 image.*.jpg v_mol2 type #		zoom 1.6 adiam 1.5
#dump_modify	2 pad 5 amap 0 10 sa 1 10 ${colors}

#variable        colors string #                "red green blue yellow white #                purple pink orange lime gray"
#variable	mol3 atom mol%10
#dump		3 all movie 250 movie.mpg v_mol3 type #		zoom 1.6 adiam 1.5
#dump_modify	3 pad 5 amap 0 10 sa 1 10 ${colors}

run	        25000
Neighbor list info ...
  2 neighbor list requests
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 1.2
  ghost atom cutoff = 2.5
  binsize = 0.6 -> bins = 167 84 2
Memory usage per processor = 2.75807 Mbytes
Step Atoms KinEng c_1 Volume 
       0        0           -0            0         5000 
    1000      130    259.24123 2.3772821e-30         5000 
    2000      130    465.39775 9.5010246e-30         5000 
    3000      130    736.55426 2.1365791e-29         5000 
    4000      260     1274.295 6.045774e-05         5000 
    5000      260    1855.4991 0.0021687846         5000 
    6000      260     1743.415    1.9678991         5000 
    7000      390    1675.8228    2.0085353         5000 
    8000      390    1845.2936     2.678293         5000 
    9000      390    1747.0301    2.5461774         5000 
   10000      520    2204.3744    1.3847146         5000 
   11000      520    1872.5943    6.5018283         5000 
   12000      520    1448.8705    3.2789997         5000 
   13000      650    1687.7845    2.4723994         5000 
   14000      650    1534.5832    1.7381523         5000 
   15000      650    1517.5812    2.4425352         5000 
   16000      780    1681.4276    3.5245463         5000 
   17000      780    1660.4845    3.5652485         5000 
   18000      780    1400.1788    4.1717202         5000 
   19000      910    1525.4386    3.2537276         5000 
   20000      910    1326.4257    3.5226044         5000 
   21000      910    1125.4321    3.1564949         5000 
   22000     1040    1262.0253    1.6097601         5000 
   23000     1040       1042.7    3.1078701         5000 
   24000     1040    1167.4717    1.4954047         5000 
   25000     1170    1214.9087    2.4525541         5000 
Loop time of 3.19438 on 1 procs for 25000 steps with 1170 atoms

Performance: 676187.595 tau/day, 7826.245 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    | 0.87733    | 0.87733    | 0.87733    |   0.0 | 27.46
Neigh   | 0.25913    | 0.25913    | 0.25913    |   0.0 |  8.11
Comm    | 0.0095103  | 0.0095103  | 0.0095103  |   0.0 |  0.30
Output  | 0.00043368 | 0.00043368 | 0.00043368 |   0.0 |  0.01
Modify  | 1.941      | 1.941      | 1.941      |   0.0 | 60.76
Other   |            | 0.107      |            |       |  3.35

Nlocal:    1170 ave 1170 max 1170 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    1699 ave 1699 max 1699 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1699
Ave neighs/atom = 1.45214
Neighbor list builds = 1715
Dangerous builds = 0
Total wall time: 0:00:03
