Homec4science
Diffusion lammps (master) Browse

lammps/examples/indent/log.indent.28Mar11.linux.1
a290cc687463master

Last Change
Raw File

log.indent.28Mar11.linux.1
View Options

LAMMPS (27 Mar 2011)
# 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
# run with indenter
timestep 0.003
variable k equal 1000.0/xlat
variable y equal "13.0*ylat - step*dt*0.02*ylat"
fix 4 all indent $k sphere 10 v_y 0 5.0
fix 4 all indent 882.8492869 sphere 10 v_y 0 5.0
fix 5 all enforce2d
thermo 1000
thermo_modify temp new
WARNING: Temperature for thermo pressure is not for group all
dump 1 all atom 250 dump.indent
run 30000
Memory usage per processor = 2.05409 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 0.38108754 440.41873
11000 0.11198118 -3.0743549 0 -2.9786377 0.67596956 438.41816
12000 0.10823034 -3.0621355 0 -2.9696244 0.6649774 441.05346
13000 0.11942981 -3.0579575 0 -2.9558734 1.0886185 437.64369
14000 0.12310404 -3.051382 0 -2.9461573 0.8709419 445.45575
15000 0.11148461 -3.0402208 0 -2.944928 1.0042519 451.82353
16000 0.12322343 -3.0415521 0 -2.9362254 0.75832833 456.81935
17000 0.12311138 -3.0300343 0 -2.9248034 1.0485025 452.83229
18000 0.12062553 -3.0261658 0 -2.9230597 1.3986216 451.63454
19000 0.11959722 -3.01431 0 -2.9120828 1.3963118 457.84103
20000 0.1223325 -3.001585 0 -2.8970199 1.1239303 470.04007
21000 0.12083113 -3.0284422 0 -2.9251604 0.76695976 472.84172
22000 0.12468602 -3.0235245 0 -2.9169477 0.63519991 474.9289
23000 0.1121845 -3.033121 0 -2.93723 0.50655931 470.8489
24000 0.12205846 -3.0311794 0 -2.9268485 0.86936481 470.95605
25000 0.11671309 -3.0309847 0 -2.9312228 0.79942435 469.32518
26000 0.11557645 -3.0148577 0 -2.9160673 1.1178134 474.47516
27000 0.10570593 -3.0092032 0 -2.9188498 1.16049 472.48381
28000 0.11149859 -3.0023437 0 -2.907039 1.3034926 476.52895
29000 0.12150147 -2.9856999 0 -2.8818451 1.576077 476.13435
30000 0.11570444 -2.9624626 0 -2.8635628 1.5924214 479.30483
Loop time of 4.48839 on 1 procs for 30000 steps with 420 atoms
Pair time (%) = 3.32296 (74.0347)
Neigh time (%) = 0.0993707 (2.21395)
Comm time (%) = 0.0551386 (1.22847)
Outpt time (%) = 0.0783148 (1.74483)
Other time (%) = 0.932601 (20.7781)
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: 3711 ave 3711 max 3711 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 3711
Ave neighs/atom = 8.83571
Neighbor list builds = 621
Dangerous builds = 0
# run without indenter
unfix 4
run 30000
Memory usage per processor = 2.05417 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
30000 0.11570444 -2.9624626 0 -2.8635628 1.5928299 479.18192
31000 0.11127312 -3.0236091 0 -2.928497 -0.42641663 488.03115
32000 0.11671309 -3.0403133 0 -2.9405514 -0.61477383 482.6357
33000 0.1064338 -3.0543214 0 -2.9633459 0.05053527 477.25528
34000 0.11379897 -3.0605823 0 -2.9633112 -0.35440488 480.63527
35000 0.11347154 -3.0266072 0 -2.929616 -0.63550997 492.44164
36000 0.11559268 -3.0426571 0 -2.9438529 0.10866887 480.22106
37000 0.11536103 -3.0427298 0 -2.9441236 -0.22501835 487.22831
38000 0.11408836 -3.0413739 0 -2.9438555 -0.43474089 483.01876
39000 0.12197337 -3.0486194 0 -2.9443612 0.00099966915 482.72141
40000 0.10928369 -3.037574 0 -2.9441625 -0.16523601 481.54733
41000 0.11891319 -3.0458468 0 -2.9442043 -0.41056942 485.92683
42000 0.11869627 -3.0456605 0 -2.9442035 -0.039105165 481.87338
43000 0.12196802 -3.0483028 0 -2.9440492 -0.36036 485.66289
44000 0.11136469 -3.0393148 0 -2.9441245 -0.45635454 484.16586
45000 0.1143683 -3.0421148 0 -2.9443571 -0.060706621 486.97264
46000 0.1066384 -3.035115 0 -2.9439646 -0.25781902 481.22702
47000 0.11688473 -3.0440763 0 -2.9441677 -0.28936877 481.73579
48000 0.11710026 -3.0545023 0 -2.9544095 -0.039191015 480.77901
49000 0.11164285 -3.0497188 0 -2.9542907 -0.16529304 481.95614
50000 0.11585744 -3.0417673 0 -2.9427368 -0.23962959 483.62182
51000 0.12149422 -3.0465877 0 -2.942739 -0.20755029 481.20963
52000 0.11812513 -3.0435892 0 -2.9426203 -0.32437686 485.36167
53000 0.1124516 -3.03874 0 -2.9426207 -0.23019183 484.21046
54000 0.1144055 -3.040525 0 -2.9427355 -0.16004524 483.89709
55000 0.11932966 -3.0447354 0 -2.9427369 -0.30835161 484.4687
56000 0.1217659 -3.0468199 0 -2.942739 -0.23163285 482.61402
57000 0.11522266 -3.0516101 0 -2.9531222 -0.17640213 484.37016
58000 0.11424257 -3.0506964 0 -2.9530462 -0.24886576 481.40236
59000 0.11626176 -3.0423269 0 -2.9429508 -0.3377255 484.34589
60000 0.11322673 -3.0398445 0 -2.9430626 -0.0027517474 481.19045
Loop time of 4.02696 on 1 procs for 30000 steps with 420 atoms
Pair time (%) = 3.30979 (82.1908)
Neigh time (%) = 0.0998025 (2.47836)
Comm time (%) = 0.0567474 (1.40919)
Outpt time (%) = 0.078594 (1.95169)
Other time (%) = 0.482025 (11.97)
Nlocal: 420 ave 420 max 420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 108 ave 108 max 108 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 3581 ave 3581 max 3581 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 3581
Ave neighs/atom = 8.52619
Neighbor list builds = 627
Dangerous builds = 0
c4science · Help