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lammps/examples/pour/log.15Feb16.pour.2d.molecule.g++.1
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log.15Feb16.pour.2d.molecule.g++.1
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LAMMPS (15 Feb 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 4000.0 NULL 100.0 NULL 0 1 xplane 0 100
fix ywalls all wall/gran 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 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 1936.8934 6.9705094 5000
7000 390 1909.1519 11.402993 5000
8000 390 1958.2549 10.910611 5000
9000 390 1968.6293 14.080709 5000
10000 520 2278.4559 8.2512574 5000
11000 520 1952.4436 6.8525602 5000
12000 520 1391.9826 3.6742003 5000
13000 650 1608.9033 2.2121034 5000
14000 650 1562.8758 2.9284792 5000
15000 650 1549.101 2.432552 5000
16000 780 1718.9486 2.339785 5000
17000 780 1646.7053 5.1414663 5000
18000 780 1441.0842 3.7040072 5000
19000 910 1546.6435 2.5109623 5000
20000 910 1379.5416 4.2028322 5000
21000 910 1155.2864 2.05953 5000
22000 1040 1237.0246 3.0494101 5000
23000 1040 1160.8301 3.0040354 5000
24000 1040 1192.673 1.6310726 5000
25000 1170 1128.3916 3.3745733 5000
Loop time of 3.24674 on 1 procs for 25000 steps with 1170 atoms
Performance: 665282.302 tau/day, 7700.027 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 | 0.90701 | 0.90701 | 0.90701 | 0.0 | 27.94
Neigh | 0.25099 | 0.25099 | 0.25099 | 0.0 | 7.73
Comm | 0.010076 | 0.010076 | 0.010076 | 0.0 | 0.31
Output | 0.00050974 | 0.00050974 | 0.00050974 | 0.0 | 0.02
Modify | 1.9744 | 1.9744 | 1.9744 | 0.0 | 60.81
Other | | 0.1038 | | | 3.20
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 = 1737
Dangerous builds = 0
Total wall time: 0:00:03
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