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lammps/examples/pour/log.15Feb16.pour.g++.1
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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)
1 by 1 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 = 2.90017 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 1522.1986 68.863683 6600
8000 1206 1387.2223 64.067846 6600
9000 1206 1265.9044 51.726525 6600
10000 1608 1460.3212 48.844763 6600
11000 1608 1310.2001 53.532609 6600
12000 1608 1134.4592 48.567743 6600
13000 2010 1182.5037 45.620614 6600
14000 2010 1192.4303 39.066935 6600
15000 2010 967.05968 42.363789 6600
16000 2412 1119.8304 39.217157 6600
17000 2412 1063.7921 45.71714 6600
18000 2412 855.28326 42.745948 6600
19000 2814 970.7019 40.155896 6600
20000 2814 923.94347 34.590568 6600
21000 2814 793.75092 36.707509 6600
22000 2814 543.4546 37.669131 6600
23000 3000 446.47658 39.719019 6600
24000 3000 331.57201 24.034747 6600
25000 3000 239.90493 18.457205 6600
Loop time of 9.98164 on 1 procs for 25000 steps with 3000 atoms
Performance: 216397.236 tau/day, 2504.598 timesteps/s
99.9% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 5.5892 | 5.5892 | 5.5892 | 0.0 | 55.99
Neigh | 1.5595 | 1.5595 | 1.5595 | 0.0 | 15.62
Comm | 0.21001 | 0.21001 | 0.21001 | 0.0 | 2.10
Output | 0.00055695 | 0.00055695 | 0.00055695 | 0.0 | 0.01
Modify | 2.3514 | 2.3514 | 2.3514 | 0.0 | 23.56
Other | | 0.271 | | | 2.71
Nlocal: 3000 ave 3000 max 3000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 658 ave 658 max 658 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 13479 ave 13479 max 13479 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 13479
Ave neighs/atom = 4.493
Neighbor list builds = 1149
Dangerous builds = 0
unfix ins
fix 2 all gravity 1.0 chute 26.0
run 25000
Memory usage per processor = 7.37566 Mbytes
Step Atoms KinEng 1 Volume
25000 3000 239.90493 18.457205 6600
26000 3000 86.453151 19.990229 6600
27000 3000 104.03763 12.243926 6600
28000 3000 187.74939 11.703132 6600
29000 3000 316.59921 14.610301 6600
30000 3000 520.76149 18.82089 6600
31000 3000 821.71283 25.266473 6600
32000 3000 1153.8578 30.714985 6600
33000 3000 1520.1476 38.247011 6600
34000 3000 2006.3144 44.480026 6600
35000 3000 2556.4751 55.768118 6600
36000 3000 3160.9914 63.728696 6600
37000 3000 3877.5537 71.484742 6600
38000 3000 4675.4987 79.37485 6600
39000 3000 5479.8489 94.281786 6600
40000 3000 6350.6439 106.39353 6600
41000 3000 7245.0837 113.40306 6600
42000 3000 8227.1726 129.62268 6600
43000 3000 9422.0189 144.63991 6600
44000 3000 10616.036 149.84326 6600
45000 3000 11908.182 169.96204 6600
46000 3000 13257.313 184.73533 6600
47000 3000 14765.4 201.20237 6600
48000 3000 16184.643 202.00907 6600
49000 3000 17573.204 215.30429 6600
50000 3000 19117.749 232.28939 6600
Loop time of 19.1635 on 1 procs for 25000 steps with 3000 atoms
Performance: 112714.075 tau/day, 1304.561 timesteps/s
99.9% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 12.221 | 12.221 | 12.221 | 0.0 | 63.77
Neigh | 2.2719 | 2.2719 | 2.2719 | 0.0 | 11.86
Comm | 0.44526 | 0.44526 | 0.44526 | 0.0 | 2.32
Output | 0.00094628 | 0.00094628 | 0.00094628 | 0.0 | 0.00
Modify | 3.7599 | 3.7599 | 3.7599 | 0.0 | 19.62
Other | | 0.4643 | | | 2.42
Nlocal: 3000 ave 3000 max 3000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 742 ave 742 max 742 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 13997 ave 13997 max 13997 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 13997
Ave neighs/atom = 4.66567
Neighbor list builds = 836
Dangerous builds = 0
Total wall time: 0:00:29
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