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lammps/examples/pour/log.15Feb16.pour.2d.molecule.g++.4
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log.15Feb16.pour.2d.molecule.g++.4
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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)
4 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 = 2.72041 Mbytes
Step Atoms KinEng 1 Volume
0 0 -0 0 5000
1000 130 259.24123 2.3773387e-30 5000
2000 130 465.39775 9.5010816e-30 5000
3000 130 736.55426 2.1365846e-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 1608.8924 2.2123232 5000
14000 650 1562.872 2.9306477 5000
15000 650 1548.2428 2.4495128 5000
16000 780 1712.8658 2.2773941 5000
17000 780 1649.1423 4.9833774 5000
18000 780 1421.6645 4.0064802 5000
19000 910 1574.37 2.4833854 5000
20000 910 1354.8838 5.1248395 5000
21000 910 1156.7385 2.5239056 5000
22000 1040 1233.7916 2.9364978 5000
23000 1040 1150.2238 2.5059515 5000
24000 1040 1224.372 1.6145537 5000
25000 1170 1202.871 2.6775319 5000
Loop time of 1.18423 on 4 procs for 25000 steps with 1170 atoms
Performance: 1823968.216 tau/day, 21110.743 timesteps/s
99.1% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.22024 | 0.23723 | 0.25431 | 2.6 | 20.03
Neigh | 0.057575 | 0.064853 | 0.070241 | 1.8 | 5.48
Comm | 0.068985 | 0.082663 | 0.097154 | 3.9 | 6.98
Output | 0.00060296 | 0.00069225 | 0.0009203 | 0.5 | 0.06
Modify | 0.67185 | 0.6862 | 0.69518 | 1.1 | 57.94
Other | | 0.1126 | | | 9.51
Nlocal: 292.5 ave 304 max 278 min
Histogram: 1 0 1 0 0 0 0 0 0 2
Nghost: 42.5 ave 58 max 27 min
Histogram: 1 1 0 0 0 0 0 0 1 1
Neighs: 427 ave 456 max 388 min
Histogram: 1 0 0 1 0 0 0 0 0 2
Total # of neighbors = 1708
Ave neighs/atom = 1.45983
Neighbor list builds = 1732
Dangerous builds = 0
Total wall time: 0:00:01
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