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lammps/examples/indent/log.indent.22Jan08.linux.1
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LAMMPS (22 Jan 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 -3.0020433 -1.4366826 444.44898
1000 0.11979027 -3.0878285 0 -2.9855789 -0.037115753 440.68307
2000 0.12095292 -3.0888211 0 -2.9855791 -0.39926994 444.26707
3000 0.1167364 -3.0841547 0 -2.9845118 -0.34877104 442.84444
4000 0.12249143 -3.1004175 0 -2.9958623 -0.051696807 438.73578
5000 0.10957873 -3.0886367 0 -2.9951034 -0.48968706 443.75021
6000 0.12346008 -3.0985964 0 -2.9932144 -0.061988469 442.24069
7000 0.10994736 -3.0850721 0 -2.9912241 -0.17265831 443.86094
8000 0.11557891 -3.086042 0 -2.9873871 0.19299422 440.53674
9000 0.12016755 -3.084536 0 -2.9819645 0.28219762 439.46924
10000 0.12659552 -3.0852403 0 -2.977182 0.34547052 440.85673
11000 0.12524777 -3.0736607 0 -2.9667528 0.65889968 439.12793
12000 0.11844672 -3.0571177 0 -2.9560149 0.65697119 441.00263
13000 0.12031568 -3.0583679 0 -2.9556699 1.0789051 437.17067
14000 0.1167364 -3.0548463 0 -2.9552034 0.92252944 441.75844
15000 0.1167364 -3.0549235 0 -2.9552806 1.104037 444.57625
16000 0.12471788 -3.052462 0 -2.9460064 1.3976876 440.83011
17000 0.12078165 -3.0356476 0 -2.9325518 1.6287355 437.90579
18000 0.11738015 -3.0294797 0 -2.9292874 1.685709 448.54282
19000 0.12273217 -3.0164912 0 -2.9117305 1.6952163 444.70626
20000 0.1254989 -3.0011836 0 -2.8940613 1.5120085 459.5423
21000 0.12037276 -2.9934283 0 -2.8906816 1.1633617 475.10793
22000 0.12303026 -3.0181561 0 -2.913141 0.80041224 476.32611
23000 0.12012255 -3.0180582 0 -2.915525 1.0242864 469.70124
24000 0.11834242 -3.011825 0 -2.9108113 0.91924231 471.07582
25000 0.11662147 -3.0266029 0 -2.9270581 1.2863229 465.94453
26000 0.10849743 -3.0122074 0 -2.9195971 1.0346219 471.89139
27000 0.11442546 -3.0195569 0 -2.9218866 0.95642369 472.17747
28000 0.12607822 -3.018653 0 -2.9110362 0.80288611 478.81533
29000 0.11485475 -3.0026613 0 -2.9046245 1.0162131 478.56821
30000 0.11957018 -3.007796 0 -2.9057344 1.1519595 473.32666
Loop time of 4.36496 on 1 procs for 30000 steps with 420 atoms
Pair time (%) = 3.38296 (77.5027)
Neigh time (%) = 0.0948896 (2.17389)
Comm time (%) = 0.055548 (1.27259)
Outpt time (%) = 0.071348 (1.63456)
Other time (%) = 0.760214 (17.4163)
Nlocal: 420 ave 420 max 420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 111 ave 111 max 111 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 3663 ave 3663 max 3663 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 3663
Ave neighs/atom = 8.72143
Neighbor list builds = 615
Dangerous builds = 0
# Run without indenter
unfix 4
run 30000
Memory usage per processor = 1.68117 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
30000 0.11957018 -3.007796 0 -2.9057344 1.1538424 472.55425
31000 0.10960776 -3.0320499 0 -2.9384919 -0.1111492 475.04939
32000 0.11696413 -3.017537 0 -2.9176998 -0.46118163 479.36156
33000 0.11881079 -3.0604548 0 -2.9590413 0.089398143 475.85863
34000 0.11291474 -3.0762007 0 -2.9798199 -0.53925844 467.63944
35000 0.12091623 -3.07146 0 -2.9682494 -0.30643332 465.79963
36000 0.11443202 -3.0773212 0 -2.9796453 -0.16930354 468.00022
37000 0.10847358 -3.0722351 0 -2.9796452 -0.40417498 466.35112
38000 0.12257573 -3.0842762 0 -2.979649 -0.3539779 464.74783
39000 0.10919826 -3.0728543 0 -2.9796458 -0.10190087 462.71616
40000 0.11592052 -3.0785918 0 -2.9796454 -0.56392258 466.79575
41000 0.1187654 -3.0810202 0 -2.9796454 -0.24959896 464.94494
42000 0.11065271 -3.0740978 0 -2.9796478 -0.13938683 463.95585
43000 0.11213075 -3.0753593 0 -2.9796477 -0.57295952 467.53433
44000 0.11851463 -3.0808118 0 -2.9796511 -0.072822043 462.69799
45000 0.11513293 -3.0779198 0 -2.9796456 -0.38690299 464.92762
46000 0.11802643 -3.0727964 0 -2.9720524 -0.41876651 467.61475
47000 0.10968445 -3.0767131 0 -2.9830896 0.00035992413 462.33575
48000 0.10986927 -3.0768658 0 -2.9830845 -0.50973722 466.84125
49000 0.11716516 -3.0730443 0 -2.9730355 -0.25528257 465.09708
50000 0.114152 -3.0811614 0 -2.9837245 -0.25131852 463.16554
51000 0.11151236 -3.0789097 0 -2.983726 -0.49587211 466.97181
52000 0.12287592 -3.0773446 0 -2.9724612 -0.23319519 466.44897
53000 0.12184618 -3.076465 0 -2.9724606 -0.32085107 465.19617
54000 0.11183696 -3.067917 0 -2.9724562 -0.31965796 465.50492
55000 0.11759344 -3.0728319 0 -2.9724575 -0.25579782 466.03182
56000 0.11864906 -3.0737344 0 -2.9724589 -0.21452862 465.36224
57000 0.12056652 -3.0753734 0 -2.9724613 -0.38889467 465.52022
58000 0.12467619 -3.0788817 0 -2.9724617 -0.25977738 463.35348
59000 0.1143898 -3.0802997 0 -2.9826599 -0.36709007 463.95776
60000 0.11996036 -3.0850555 0 -2.9826607 -0.43924518 465.21821
Loop time of 4.03837 on 1 procs for 30000 steps with 420 atoms
Pair time (%) = 3.33861 (82.6721)
Neigh time (%) = 0.0961225 (2.38023)
Comm time (%) = 0.0559936 (1.38654)
Outpt time (%) = 0.071291 (1.76534)
Other time (%) = 0.476356 (11.7957)
Nlocal: 420 ave 420 max 420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 107 ave 107 max 107 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 3565 ave 3565 max 3565 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 3565
Ave neighs/atom = 8.4881
Neighbor list builds = 620
Dangerous builds = 0
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