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lammps/examples/crack/log.crack.12Feb07.linux.1
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LAMMPS (12 Feb 2007)
# 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 box = (0 0 -0.278569) to (111.428 77.1994 0.278569)
1 by 1 by 1 processor grid
create_atoms 1
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
820 atoms in group leftupper
group leftlower region leftlower
841 atoms in group leftlower
set leftupper atom 2
820 settings made
set leftlower atom 3
841 settings made
set lower atom 4
302 settings made
set upper atom 5
302 settings made
# initial velocities
compute new mobile temp
velocity mobile create 0.01 887723 temp new
velocity upper set 0.0 0.02 0.0
velocity mobile ramp vy 0.0 0.02 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 1000
thermo_modify temp new
neigh_modify exclude type 2 3
dump 1 all atom 250 dump.crack
run 50000
Memory usage per processor = 2.04243 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 0.010233422 -3.2595015 0 -3.2500292 -0.10147524 4792.6107
1000 0.0051057052 -3.2546357 0 -3.2499098 -0.13099352 4792.6107
2000 0.0051305159 -3.2543693 0 -3.2496204 -0.16341482 4807.4758
3000 0.005186568 -3.2539935 0 -3.2491927 -0.17782954 4808.2338
4000 0.005087842 -3.2533474 0 -3.248638 -0.18347851 4814.6291
5000 0.004952798 -3.2525326 0 -3.2479482 -0.23680218 4819.1809
6000 0.004991209 -3.2516461 0 -3.2470261 -0.30814679 4826.0224
7000 0.004944807 -3.2506197 0 -3.2460426 -0.39136722 4830.7072
8000 0.0049376929 -3.2494443 0 -3.2448739 -0.48674075 4839.3787
9000 0.0050078092 -3.2482053 0 -3.24357 -0.53039175 4853.1439
10000 0.004983781 -3.2466688 0 -3.2420557 -0.55385151 4857.416
11000 0.0049723432 -3.2451304 0 -3.2405279 -0.56009417 4862.5452
12000 0.0049013912 -3.243408 0 -3.2388712 -0.57381742 4865.356
13000 0.0048043804 -3.2415478 0 -3.2371007 -0.62822628 4866.3058
14000 0.0048263329 -3.2395963 0 -3.2351289 -0.69278151 4872.0789
15000 0.0047872575 -3.2375073 0 -3.2330761 -0.77081332 4885.8904
16000 0.0047945553 -3.2353167 0 -3.2308787 -0.82826028 4893.1664
17000 0.0047216486 -3.2330128 0 -3.2286423 -0.86086905 4902.0617
18000 0.0047886085 -3.2306714 0 -3.226239 -0.86709584 4912.8232
19000 0.0048029287 -3.2282267 0 -3.223781 -0.8478792 4914.5926
20000 0.0049477774 -3.22582 0 -3.2212403 -0.83551748 4917.3514
21000 0.0050097792 -3.2233599 0 -3.2187228 -0.83827951 4924.4496
22000 0.0052037073 -3.2210367 0 -3.21622 -0.87712941 4935.4747
23000 0.005250599 -3.2186209 0 -3.2137608 -0.95723098 4947.854
24000 0.0056583383 -3.2164899 0 -3.2112524 -0.99733057 4959.3194
25000 0.006177144 -3.2143646 0 -3.2086469 -0.99156085 4966.2512
26000 0.0065570098 -3.2120894 0 -3.2060201 -0.94420666 4960.9584
27000 0.0065182894 -3.2093666 0 -3.2033331 -0.87993179 4961.9079
28000 0.0068038044 -3.2067846 0 -3.2004869 -0.86598793 4967.889
29000 0.0077170662 -3.2049416 0 -3.1977985 -0.91334819 4981.938
30000 0.0081816546 -3.2027043 0 -3.1951312 -0.9653003 4996.292
31000 0.0089120184 -3.2008682 0 -3.192619 -0.99183522 5012.9271
32000 0.0095675926 -3.1988646 0 -3.1900086 -0.98991289 5018.881
33000 0.010803233 -3.1974474 0 -3.1874477 -0.94112056 5012.4944
34000 0.011158338 -3.195224 0 -3.1848955 -0.8851475 5006.3799
35000 0.011756558 -3.193118 0 -3.1822359 -0.83787524 5002.794
36000 0.011908028 -3.1908083 0 -3.179786 -0.82041394 5013.2137
37000 0.014248791 -3.1903606 0 -3.1771716 -0.86591483 5045.4357
38000 0.015514642 -3.1889367 0 -3.1745759 -0.84629532 5058.8659
39000 0.017625744 -3.1886096 0 -3.1722948 -0.72912473 5086.8791
40000 0.020166221 -3.1891916 0 -3.1705253 -0.57976268 5092.6354
41000 0.024585629 -3.191961 0 -3.169204 -0.45986861 5092.2489
42000 0.025792679 -3.191911 0 -3.1680367 -0.41104431 5084.743
43000 0.027413976 -3.1918738 0 -3.1664988 -0.317039 5103.4238
44000 0.029084803 -3.1924106 0 -3.165489 -0.35382128 5093.6381
45000 0.028426053 -3.1910339 0 -3.1647221 -0.40685905 5115.0911
46000 0.028866755 -3.190439 0 -3.1637193 -0.44541816 5121.2964
47000 0.02908918 -3.189657 0 -3.1627313 -0.4265388 5149.429
48000 0.028710143 -3.1882276 0 -3.1616528 -0.45494173 5166.6376
49000 0.03082438 -3.1885404 0 -3.1600086 -0.4068 5164.3287
50000 0.032521821 -3.1887517 0 -3.1586487 -0.31047628 5170.302
Loop time of 449.517 on 1 procs for 50000 steps with 8141 atoms
Pair time (%) = 363.166 (80.7903)
Neigh time (%) = 6.23528 (1.38711)
Comm time (%) = 0.552309 (0.122867)
Outpt time (%) = 7.92898 (1.76389)
Other time (%) = 71.6341 (15.9358)
Nlocal: 8141 ave 8141 max 8141 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: 70714 ave 70714 max 70714 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 70714
Ave neighs/atom = 8.68616
Neighbor list builds = 488
Dangerous builds = 0
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