Homec4science
Diffusion lammps (HEAD -> master) Browse

lammps/examples/indent/log.indent.21May08.linux.1
0cc1d090f44eHEAD -> master

Last Change
Raw File

log.indent.21May08.linux.1
View Options

LAMMPS (21 May 2008)
# 2d indenter simulation
dimension 2
boundary p s p
atom_style atomic
neighbor 0.3 bin
neigh_modify delay 5
# create geometry
lattice hex 0.9
Lattice spacing in x,y,z = 1.1327 1.96189 1.1327
region box block 0 20 0 10 -0.25 0.25
create_box 2 box
Created orthogonal box = (0 0 -0.283174) to (22.6539 19.6189 0.283174)
1 by 1 by 1 processor grid
create_atoms 1 box
Created 420 atoms
mass 1 1.0
mass 2 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
60 atoms in group lower
group mobile subtract all lower
360 atoms in group mobile
set group lower type 2
60 settings made for type
# initial velocities
compute new mobile temp
velocity mobile create 0.2 482748 temp new
fix 1 all nve
fix 2 lower setforce 0.0 0.0 0.0
fix 3 all temp/rescale 100 0.1 0.1 0.01 1.0
# indenter
fix 4 all indent 1000.0 sphere 10 13 0 5.0 vel 0.0 -0.02 0.0
fix 5 all enforce2d
# Run with indenter
timestep 0.003
thermo 1000
thermo_modify temp new
dump 1 all atom 250 dump.indent
run 30000
Memory usage per processor = 1.681 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 0.2 -3.1727576 0 -3.0018052 -1.4364576 444.44898
1000 0.11974254 -3.0876892 0 -2.9853378 -0.037066341 440.70336
2000 0.12086797 -3.0886512 0 -2.9853378 -0.39890862 444.27124
3000 0.11671309 -3.0840074 0 -2.9842455 -0.34866631 442.86992
4000 0.12339115 -3.1000529 0 -2.9945828 -0.049706317 438.90862
5000 0.10860594 -3.0866045 0 -2.9937722 -0.47982999 443.91419
6000 0.11839788 -3.0929689 0 -2.9917669 -0.033460572 442.61903
7000 0.12194527 -3.0835584 0 -2.9793242 -0.13984271 443.27826
8000 0.11671309 -3.0862884 0 -2.9865265 0.073966694 441.62891
9000 0.12449823 -3.0880806 0 -2.9816643 0.286535 439.19731
10000 0.12475263 -3.0830722 0 -2.9764384 0.38108755 440.41873
11000 0.11198118 -3.0743549 0 -2.9786377 0.67596956 438.41816
12000 0.10823034 -3.0621355 0 -2.9696244 0.66497739 441.05346
13000 0.1194298 -3.0579575 0 -2.9558734 1.0886185 437.64369
14000 0.12310404 -3.051382 0 -2.9461573 0.8709418 445.45576
15000 0.11148459 -3.0402208 0 -2.944928 1.0042516 451.82353
16000 0.12322327 -3.041552 0 -2.9362254 0.75832747 456.81933
17000 0.12311088 -3.0300335 0 -2.924803 1.0485184 452.83217
18000 0.12062516 -3.0261639 0 -2.9230581 1.3986189 451.63458
19000 0.11958004 -3.0142969 0 -2.9120844 1.3964253 457.84108
20000 0.12231468 -3.0015738 0 -2.8970239 1.1240498 470.04449
21000 0.12075603 -3.0281424 0 -2.9249248 0.77047496 472.82097
22000 0.1140902 -3.0149866 0 -2.9174666 0.59890761 475.27346
23000 0.11660315 -3.022367 0 -2.9226991 0.86533578 474.33185
24000 0.11788061 -3.0130282 0 -2.9122684 1.0089196 468.47962
25000 0.11677694 -3.027 0 -2.9271835 0.95315571 470.28897
26000 0.12227277 -3.0174852 0 -2.9129711 1.0595574 469.3955
27000 0.11778994 -3.0019697 0 -2.9012873 1.2973295 472.846
28000 0.10834261 -2.9909288 0 -2.8983217 1.4598621 471.38654
29000 0.11506991 -2.9815688 0 -2.8832114 1.6220695 475.78184
30000 0.1137611 -2.9910145 0 -2.8937758 1.5390363 476.49487
Loop time of 4.35277 on 1 procs for 30000 steps with 420 atoms
Pair time (%) = 3.3632 (77.2656)
Neigh time (%) = 0.0964704 (2.2163)
Comm time (%) = 0.056159 (1.29019)
Outpt time (%) = 0.0744166 (1.70964)
Other time (%) = 0.762532 (17.5183)
Nlocal: 420 ave 420 max 420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 110 ave 110 max 110 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 3704 ave 3704 max 3704 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 3704
Ave neighs/atom = 8.81905
Neighbor list builds = 620
Dangerous builds = 0
# Run without indenter
unfix 4
run 30000
Memory usage per processor = 1.68109 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
30000 0.1137611 -2.9910145 0 -2.8937758 1.5390363 476.49487
31000 0.11111993 -3.0361785 0 -2.9411974 -0.27734293 487.43496
32000 0.12226168 -3.0352443 0 -2.9307397 -0.65334794 484.5377
33000 0.12141332 -3.0559903 0 -2.9522108 0.2052495 480.86455
34000 0.11608515 -3.0513192 0 -2.952094 -0.40452569 486.60815
35000 0.12135397 -3.0431351 0 -2.9394063 -0.54073868 492.67492
36000 0.11867423 -3.0517805 0 -2.9503423 0.17502223 481.35439
37000 0.11592678 -3.0389976 0 -2.9399078 -0.45434566 489.41107
38000 0.12303667 -3.0448814 0 -2.9397144 -0.37442535 488.51063
39000 0.11824399 -3.0658885 0 -2.964818 -0.020875637 485.34869
40000 0.10891424 -3.0684735 0 -2.9753777 -0.40194667 490.36569
41000 0.11971963 -3.0777108 0 -2.975379 -0.31502752 485.70356
42000 0.12242279 -3.0800244 0 -2.975382 -0.29154762 485.64123
43000 0.11191041 -3.0710358 0 -2.9753791 -0.47381376 485.98823
44000 0.11663432 -3.0750759 0 -2.9753813 -0.16155045 483.58595
45000 0.11931527 -3.0773695 0 -2.9753833 -0.26683012 485.76005
46000 0.11602561 -3.0745521 0 -2.9753778 -0.43504309 488.91425
47000 0.11378336 -3.072636 0 -2.9753783 -0.065265912 485.31689
48000 0.11466706 -3.0733926 0 -2.9753796 -0.34617216 489.24951
49000 0.11892658 -3.0770335 0 -2.9753796 -0.34745886 486.45808
50000 0.11518751 -3.0738396 0 -2.9753817 -0.13713339 483.56692
51000 0.11924377 -3.0773057 0 -2.9753807 -0.46696512 487.41041
52000 0.12732939 -3.084182 0 -2.9753457 -0.31430325 483.886
53000 0.1184932 -3.0766623 0 -2.9753788 -0.22727456 485.05121
54000 0.10979213 -3.0692247 0 -2.9753786 -0.46578194 487.22102
55000 0.11813596 -3.0763601 0 -2.975382 -0.21269197 485.60016
56000 0.11927788 -3.0820716 0 -2.9801174 -0.39257652 488.29363
57000 0.11370876 -3.077309 0 -2.9801151 -0.42695354 487.36404
58000 0.10977322 -3.0750653 0 -2.9812353 -0.13698023 483.43933
59000 0.11837611 -3.0824237 0 -2.9812403 -0.42226934 488.24864
60000 0.12513787 -3.0760063 0 -2.9690432 -0.27843098 488.02101
Loop time of 4.04106 on 1 procs for 30000 steps with 420 atoms
Pair time (%) = 3.33419 (82.5078)
Neigh time (%) = 0.0975268 (2.4134)
Comm time (%) = 0.0565064 (1.39831)
Outpt time (%) = 0.0741966 (1.83607)
Other time (%) = 0.478639 (11.8444)
Nlocal: 420 ave 420 max 420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 106 ave 106 max 106 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 3564 ave 3564 max 3564 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 3564
Ave neighs/atom = 8.48571
Neighbor list builds = 632
Dangerous builds = 0
c4science · Help