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lammps/examples/crack/log.crack.22Jan08.linux.4
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LAMMPS (22 Jan 2008)
# 2d LJ crack simulation
dimension 2
boundary s s p
atom_style atomic
neighbor 0.3 bin
neigh_modify delay 5
# create geometry
lattice hex 0.93
Lattice spacing in x,y,z = 1.11428 1.92998 1.11428
region box block 0 100 0 40 -0.25 0.25
create_box 5 box
Created orthogonal box = (0 0 -0.278569) to (111.428 77.1994 0.278569)
2 by 2 by 1 processor grid
create_atoms 1 box
Created 8141 atoms
mass 1 1.0
mass 2 1.0
mass 3 1.0
mass 4 1.0
mass 5 1.0
# LJ potentials
pair_style lj/cut 2.5
pair_coeff * * 1.0 1.0 2.5
# define groups
region 1 block INF INF INF 1.25 INF INF
group lower region 1
302 atoms in group lower
region 2 block INF INF 38.75 INF INF INF
group upper region 2
302 atoms in group upper
group boundary union lower upper
604 atoms in group boundary
group mobile subtract all boundary
7537 atoms in group mobile
region leftupper block INF 20 20 INF INF INF
region leftlower block INF 20 INF 20 INF INF
group leftupper region leftupper
841 atoms in group leftupper
group leftlower region leftlower
841 atoms in group leftlower
set group leftupper type 2
841 settings made for type
set group leftlower type 3
841 settings made for type
set group lower type 4
302 settings made for type
set group upper type 5
302 settings made for type
# initial velocities
compute new mobile temp
velocity mobile create 0.01 887723 temp new
velocity upper set 0.0 0.3 0.0
velocity mobile ramp vy 0.0 0.3 y 1.25 38.75 sum yes
# fixes
fix 1 all nve
fix 2 boundary setforce NULL 0.0 0.0
# run
timestep 0.003
thermo 200
thermo_modify temp new
neigh_modify exclude type 2 3
dump 1 all atom 500 dump.crack
run 5000
Memory usage per processor = 1.7559 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 0.065997177 -3.2595015 0 -3.1984129 -0.035954718 8602.1883
200 0.060038948 -3.253189 0 -3.1976155 -0.22766954 8635.1229
400 0.060546481 -3.2510709 0 -3.1950277 -0.42828826 8674.4108
600 0.060580716 -3.2468162 0 -3.1907413 -0.60041431 8714.1872
800 0.060806514 -3.241348 0 -3.185064 -0.74528707 8753.0176
1000 0.06181595 -3.2349944 0 -3.1777762 -0.8716433 8793.5158
1200 0.063175404 -3.2277554 0 -3.1692788 -0.98049057 8819.7019
1400 0.065129472 -3.2198034 0 -3.159518 -1.0694359 8855.3817
1600 0.067258319 -3.2111274 0 -3.1488716 -1.1445455 8889.1999
1800 0.069393919 -3.2019692 0 -3.1377365 -1.1995445 8930.2901
2000 0.07128093 -3.1921624 0 -3.1261831 -1.2400341 8965.5702
2200 0.073248099 -3.1818812 0 -3.114081 -1.2653291 8994.1741
2400 0.075068232 -3.1711705 0 -3.1016856 -1.2777213 9035.0033
2600 0.076794061 -3.160066 0 -3.0889837 -1.2759869 9070.0027
2800 0.07876477 -3.1487145 0 -3.075808 -1.2642785 9102.721
3000 0.080596945 -3.1372363 0 -3.0626339 -1.2393574 9139.2753
3200 0.082282083 -3.1254232 0 -3.049261 -1.2059897 9165.9158
3400 0.084294646 -3.1136555 0 -3.0356304 -1.1676855 9201.297
3600 0.086725204 -3.102118 0 -3.0218431 -1.1268035 9229.7361
3800 0.089269145 -3.090924 0 -3.0082944 -1.0904239 9261.5209
4000 0.091383162 -3.0795096 0 -2.9949232 -1.0585032 9293.4417
4200 0.092671959 -3.0678751 0 -2.9820957 -1.0394459 9327.7894
4400 0.09056253 -3.0560492 0 -2.9722224 -1.0327842 9358.5052
4600 0.088770595 -3.0446045 0 -2.9624363 -1.0281074 9387.8048
4800 0.089473674 -3.0337454 0 -2.9509265 -1.023674 9423.1942
5000 0.089916902 -3.023759 0 -2.9405298 -1.0178836 9448.3239
Loop time of 5.86098 on 4 procs for 5000 steps with 8141 atoms
Pair time (%) = 2.87086 (48.9826)
Neigh time (%) = 0.104604 (1.78475)
Comm time (%) = 1.96126 (33.4629)
Outpt time (%) = 0.111139 (1.89626)
Other time (%) = 0.813119 (13.8734)
Nlocal: 2035.25 ave 2064 max 2015 min
Histogram: 1 1 0 0 0 1 0 0 0 1
Nghost: 198.25 ave 249 max 150 min
Histogram: 1 0 1 0 0 0 0 1 0 1
Neighs: 17849.5 ave 18249 max 17601 min
Histogram: 1 1 0 0 1 0 0 0 0 1
Total # of neighbors = 71398
Ave neighs/atom = 8.77018
Neighbor list builds = 106
Dangerous builds = 0
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