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lammps/examples/pour/log.15Feb16.pour.g++.4
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LAMMPS (15 Feb 2016)
# Pour granular particles into chute container, then induce flow
atom_style sphere
boundary p p fm
newton off
comm_modify vel yes
region reg block -10 10 -10 10 -0.5 16 units box
create_box 1 reg
Created orthogonal box = (-10 -10 -0.5) to (10 10 16)
2 by 2 by 1 MPI processor grid
neighbor 0.2 bin
neigh_modify delay 0
# IMPORTANT NOTE: these values of stiffness (2000) 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 = 2.0e5 and dt = 0.0001, as in bench/in.chute.
pair_style gran/hooke/history 2000.0 NULL 50.0 NULL 0.5 0
pair_coeff * *
timestep 0.001
fix 1 all nve/sphere
fix 2 all gravity 1.0 spherical 0.0 -180.0
fix zlower all wall/gran 2000.0 NULL 50.0 NULL 0.5 0 zplane 0.0 2000.0
region slab block -9.0 9.0 -9.0 9.0 10.0 15.0 units box
fix ins all pour 3000 1 300719 vol 0.13 50 region slab
Particle insertion: 402 every 3162 steps, 3000 by step 22135
compute 1 all erotate/sphere
thermo_style custom step atoms ke c_1 vol
thermo 1000
thermo_modify lost ignore norm no
compute_modify thermo_temp dynamic yes
#dump id all atom 1000 dump.pour
#dump 2 all image 1000 image.*.jpg type type # axes yes 0.8 0.02 view 80 -30
#dump_modify 2 pad 5
#dump 3 all movie 1000 movie.mpg type type # axes yes 0.8 0.02 view 80 -30
#dump_modify 3 pad 5
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 = 1.2
binsize = 0.6 -> bins = 34 34 28
Memory usage per processor = 2.77531 Mbytes
Step Atoms KinEng 1 Volume
0 0 -0 0 6600
1000 402 768.04606 0 6600
2000 402 1407.1714 0 6600
3000 402 1373.819 15.59952 6600
4000 804 1737.1399 39.311164 6600
5000 804 1571.3184 67.501382 6600
6000 804 1318.6439 77.636174 6600
7000 1206 1521.8348 69.010381 6600
8000 1206 1391.0761 64.407583 6600
9000 1206 1264.98 50.32567 6600
10000 1608 1462.7175 49.903609 6600
11000 1608 1317.5878 52.401196 6600
12000 1608 1120.9416 46.067058 6600
13000 2010 1200.1517 49.662302 6600
14000 2010 1180.2805 38.850379 6600
15000 2010 970.23519 39.121533 6600
16000 2412 1101.3888 44.051087 6600
17000 2412 1054.4967 43.489619 6600
18000 2412 850.25959 42.296696 6600
19000 2814 959.68841 42.757546 6600
20000 2814 933.72206 42.668586 6600
21000 2814 779.2842 42.116934 6600
22000 2814 537.68477 35.113909 6600
23000 3000 456.26221 36.394458 6600
24000 3000 334.38331 26.256087 6600
25000 3000 233.7217 18.768345 6600
Loop time of 2.97699 on 4 procs for 25000 steps with 3000 atoms
Performance: 725563.868 tau/day, 8397.730 timesteps/s
99.6% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.3818 | 1.4161 | 1.4613 | 2.9 | 47.57
Neigh | 0.39047 | 0.40059 | 0.40954 | 1.3 | 13.46
Comm | 0.30601 | 0.31937 | 0.33453 | 2.2 | 10.73
Output | 0.00056505 | 0.00065571 | 0.00070286 | 0.2 | 0.02
Modify | 0.60454 | 0.61377 | 0.62323 | 1.1 | 20.62
Other | | 0.2265 | | | 7.61
Nlocal: 750 ave 765 max 730 min
Histogram: 1 0 0 0 1 0 0 0 1 1
Nghost: 390.75 ave 393 max 385 min
Histogram: 1 0 0 0 0 0 0 0 1 2
Neighs: 3548 ave 3643 max 3454 min
Histogram: 1 0 1 0 0 0 0 1 0 1
Total # of neighbors = 14192
Ave neighs/atom = 4.73067
Neighbor list builds = 1152
Dangerous builds = 0
unfix ins
fix 2 all gravity 1.0 chute 26.0
run 25000
Memory usage per processor = 7.22932 Mbytes
Step Atoms KinEng 1 Volume
25000 3000 233.7217 18.768345 6600
26000 3000 80.58756 21.114703 6600
27000 3000 112.90794 11.760837 6600
28000 3000 211.68857 11.667711 6600
29000 3000 368.27114 15.483397 6600
30000 3000 611.33941 21.023859 6600
31000 3000 902.04662 29.663904 6600
32000 3000 1188.6213 31.996848 6600
33000 3000 1626.3144 38.244424 6600
34000 3000 2068.1939 45.793779 6600
35000 3000 2654.4292 55.900641 6600
36000 3000 3212.0662 64.492942 6600
37000 3000 3942.9079 73.557353 6600
38000 3000 4710.2169 84.24051 6600
39000 3000 5513.597 93.737814 6600
40000 3000 6367.338 112.43633 6600
41000 3000 7417.7889 130.70338 6600
42000 3000 8428.2678 124.66302 6600
43000 3000 9498.0121 136.37107 6600
44000 3000 10680.269 149.21074 6600
45000 3000 11852.03 154.67802 6600
46000 3000 12896.699 167.10324 6600
47000 3000 14218.465 196.70386 6600
48000 3000 15555.796 204.40316 6600
49000 3000 16694.338 208.98934 6600
50000 3000 17936.665 192.19442 6600
Loop time of 5.6096 on 4 procs for 25000 steps with 3000 atoms
Performance: 385054.499 tau/day, 4456.649 timesteps/s
99.5% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 3.0572 | 3.1012 | 3.1483 | 1.8 | 55.28
Neigh | 0.57694 | 0.58054 | 0.5881 | 0.6 | 10.35
Comm | 0.52065 | 0.53928 | 0.55884 | 1.8 | 9.61
Output | 0.00074744 | 0.00090379 | 0.0011649 | 0.5 | 0.02
Modify | 0.94697 | 0.95569 | 0.96864 | 0.9 | 17.04
Other | | 0.432 | | | 7.70
Nlocal: 750 ave 758 max 741 min
Histogram: 1 0 0 0 0 2 0 0 0 1
Nghost: 404 ave 417 max 395 min
Histogram: 1 0 1 0 1 0 0 0 0 1
Neighs: 3603.75 ave 3695 max 3528 min
Histogram: 1 0 0 1 1 0 0 0 0 1
Total # of neighbors = 14415
Ave neighs/atom = 4.805
Neighbor list builds = 827
Dangerous builds = 0
Total wall time: 0:00:08
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