Homec4science
Diffusion lammps (lammm-master-deprecated) Browse

lammps/examples/pour/log.pour.2d.molecule.1Feb14.linux.1
dd122f6a0bb4lammm-master-deprecated

Last Change
Raw File

log.pour.2d.molecule.1Feb14.linux.1
View Options

LAMMPS (1 Feb 2014)
# Pour 2d granular particles into container
dimension 2
atom_style sphere
atom_modify map array
boundary f fm p
newton off
communicate single vel yes cutoff 2.5
fix prop all property/atom mol
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
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
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 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
Memory usage per processor = 8.8613 Mbytes
Step Atoms KinEng 1 Volume
0 0 -0 0 5000
1000 130 208.5324 0.0022531902 5000
2000 130 395.40215 0.0022531902 5000
3000 130 647.2719 0.0022531902 5000
4000 260 1159.1081 0.0026224951 5000
5000 260 1718.8157 0.0026515989 5000
6000 260 2031.535 10.691958 5000
7000 390 2065.2783 21.015337 5000
8000 390 1911.4694 10.935944 5000
9000 390 1884.4332 7.8649255 5000
10000 520 2109.7343 6.3162072 5000
11000 520 2055.0964 9.2024202 5000
12000 520 1737.7978 3.8651428 5000
13000 650 1827.8021 5.4025759 5000
14000 650 1714.9891 5.1408637 5000
15000 650 1460.3591 1.9883146 5000
16000 780 1656.7752 2.6070722 5000
17000 780 1487.906 2.9690473 5000
18000 780 1508.32 2.4036266 5000
19000 910 1508.0974 5.3892045 5000
20000 910 1310.8002 4.8125827 5000
21000 910 1044.281 2.4533982 5000
22000 1040 1188.4887 1.8312293 5000
23000 1040 1405.6437 2.4849983 5000
24000 1040 1287.8333 2.4405773 5000
25000 1170 1190.5047 2.8533518 5000
Loop time of 3.16526 on 1 procs for 25000 steps with 1170 atoms
Pair time (%) = 0.829346 (26.2015)
Neigh time (%) = 0.207036 (6.54087)
Comm time (%) = 0.0133698 (0.422392)
Outpt time (%) = 0.000298738 (0.00943804)
Other time (%) = 2.11521 (66.8258)
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: 1707 ave 1707 max 1707 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1707
Ave neighs/atom = 1.45897
Neighbor list builds = 1751
Dangerous builds = 0
c4science · Help