Newer
Older
Steve Plimpton
committed
LAMMPS (6 Oct 2016)
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
# LAMMPS benchmark of granular flow
# chute flow of 32000 atoms with frozen base at 26 degrees
variable x index 1
variable y index 1
units lj
atom_style sphere
boundary p p fs
newton off
comm_modify vel yes
read_data data.chute
orthogonal box = (0 0 0) to (40 20 37.2886)
2 by 1 by 2 MPI processor grid
reading atoms ...
32000 atoms
reading velocities ...
32000 velocities
replicate $x $y 1
replicate 2 $y 1
replicate 2 2 1
orthogonal box = (0 0 0) to (80 40 37.2922)
2 by 2 by 1 MPI processor grid
128000 atoms
pair_style gran/hooke/history 200000.0 NULL 50.0 NULL 0.5 0
pair_coeff * *
neighbor 0.1 bin
neigh_modify every 1 delay 0
timestep 0.0001
group bottom type 2
3648 atoms in group bottom
group active subtract all bottom
124352 atoms in group active
neigh_modify exclude group bottom bottom
fix 1 all gravity 1.0 chute 26.0
fix 2 bottom freeze
fix 3 active nve/sphere
compute 1 all erotate/sphere
thermo_style custom step atoms ke c_1 vol
thermo_modify norm no
thermo 100
run 100
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 = 1.1
ghost atom cutoff = 1.1
binsize = 0.55 -> bins = 146 73 68
Steve Plimpton
committed
Memory usage per processor = 16.1265 Mbytes
Step Atoms KinEng c_1 Volume
0 128000 3136556.5 6404.5051 119335.13
100 128000 3137168.3 6284.3873 119338.83
Steve Plimpton
committed
Loop time of 0.832365 on 4 procs for 100 steps with 128000 atoms
Steve Plimpton
committed
Performance: 1038.006 tau/day, 120.140 timesteps/s
99.8% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Steve Plimpton
committed
Pair | 0.5178 | 0.52208 | 0.52793 | 0.5 | 62.72
Neigh | 0.047003 | 0.047113 | 0.047224 | 0.0 | 5.66
Comm | 0.05233 | 0.052988 | 0.053722 | 0.2 | 6.37
Output | 0.00024986 | 0.00032717 | 0.00036693 | 0.3 | 0.04
Modify | 0.15517 | 0.15627 | 0.15808 | 0.3 | 18.77
Other | | 0.0536 | | | 6.44
Nlocal: 32000 ave 32000 max 32000 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost: 5463 ave 5463 max 5463 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Neighs: 115133 ave 115133 max 115133 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Total # of neighbors = 460532
Ave neighs/atom = 3.59791
Neighbor list builds = 2
Dangerous builds = 0
Steve Plimpton
committed
Total wall time: 0:00:00