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lammps/examples/indent/log.indent.18Feb13.linux.4
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LAMMPS (18 Feb 2013)
# 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)
2 by 2 by 1 MPI 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 882.84928691481343321 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 (thermo.cpp:436)
#dump 1 all atom 250 dump.indent
#dump 1 all image 1000 image.*.jpg type type # zoom 1.6 adiam 1.5
#dump_modify 1 pad 5
run 30000
Memory usage per processor = 2.06495 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 0.2 -3.1727576 0 -3.0018052 -1.436185 444.53333
1000 0.11573595 -3.0964873 0 -2.9975606 -0.20448672 441.83732
2000 0.11519605 -3.0960246 0 -2.9975594 -0.38133491 442.33058
3000 0.11367906 -3.0839597 0 -2.9867912 -0.42579765 444.59119
4000 0.11618844 -3.0860897 0 -2.9867762 -0.041580916 439.84614
5000 0.11327789 -3.0848614 0 -2.9880358 -0.48898867 446.19202
6000 0.12058424 -3.0869438 0 -2.983873 0.011477134 440.56887
7000 0.11772522 -3.0833477 0 -2.9827207 -0.090378245 442.56787
8000 0.12533514 -3.0970033 0 -2.9898715 0.13263189 441.23478
9000 0.1198683 -3.0867062 0 -2.9842473 0.34046664 439.4706
10000 0.12234014 -3.0835007 0 -2.9789291 0.28399731 441.94307
11000 0.11082436 -3.0754796 0 -2.9807511 0.62194284 441.32012
12000 0.10842719 -3.0646379 0 -2.9719584 0.65383569 442.64668
13000 0.11686417 -3.0600388 0 -2.9601477 1.0041123 438.50135
14000 0.12557378 -3.0570017 0 -2.949666 0.85709167 442.10189
15000 0.11934084 -3.0498848 0 -2.9478768 1.0392199 451.74396
16000 0.12576904 -3.0452178 0 -2.9377152 1.3479499 441.27019
17000 0.11546522 -3.0348362 0 -2.936141 1.6318206 439.4846
18000 0.12148311 -3.0221147 0 -2.9182755 1.6088802 449.25447
19000 0.118843 -3.003677 0 -2.9020946 1.5201603 447.11853
20000 0.11165592 -3.0037968 0 -2.9083575 1.4074727 461.75512
21000 0.11360385 -2.9898251 0 -2.8927209 1.1326435 473.96384
22000 0.12150985 -3.0248097 0 -2.9209477 0.78906514 473.4399
23000 0.11900756 -3.0140794 0 -2.9123563 1.2011762 469.94964
24000 0.12144629 -3.0209952 0 -2.9171876 0.75868599 473.27056
25000 0.12502653 -3.0209271 0 -2.9140592 0.69048742 484.86502
26000 0.12040444 -3.021456 0 -2.9185388 0.21874131 486.96835
27000 0.11960292 -3.0422633 0 -2.9400313 0.37183014 486.93936
28000 0.11652365 -3.0437678 0 -2.9441678 0.65795683 483.2875
29000 0.11671309 -3.044343 0 -2.9445811 0.81258278 482.40921
30000 0.1220056 -3.0408195 0 -2.9365338 0.8072655 486.26501
Loop time of 0.963257 on 4 procs for 30000 steps with 420 atoms
Pair time (%) = 0.449727 (46.6882)
Neigh time (%) = 0.0182621 (1.89587)
Comm time (%) = 0.241803 (25.1026)
Outpt time (%) = 0.000499487 (0.051854)
Other time (%) = 0.252965 (26.2614)
Nlocal: 105 ave 120 max 89 min
Histogram: 1 1 0 0 0 0 0 0 0 2
Nghost: 91.5 ave 98 max 85 min
Histogram: 1 1 0 0 0 0 0 0 1 1
Neighs: 904 ave 1090 max 721 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Total # of neighbors = 3616
Ave neighs/atom = 8.60952
Neighbor list builds = 615
Dangerous builds = 0
# run without indenter
unfix 4
run 30000
Memory usage per processor = 2.065 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
30000 0.1220056 -3.0408195 0 -2.9365338 0.80726384 486.26601
31000 0.11523899 -3.0452254 0 -2.9467235 -0.45196679 488.03016
32000 0.11671309 -3.0341159 0 -2.934354 -0.43181326 492.18636
33000 0.1222407 -3.0522595 0 -2.9477728 0.0026848443 483.854
34000 0.11512572 -3.0460203 0 -2.9476152 -0.21245818 493.13647
35000 0.12254508 -3.0524445 0 -2.9476977 -0.40908297 491.35424
36000 0.11662073 -3.0476077 0 -2.9479248 -0.00681441 487.04397
37000 0.12068279 -3.0633798 0 -2.9602248 -0.42268002 479.44382
38000 0.11671309 -3.0719801 0 -2.9722182 -0.37892984 481.83063
39000 0.12550174 -3.0797649 0 -2.9724908 -0.20439104 462.53227
40000 0.11787623 -3.0733224 0 -2.9725663 -0.34034574 467.47074
41000 0.11527048 -3.0710921 0 -2.9725633 -0.34310742 466.58893
42000 0.11312036 -3.0799073 0 -2.9832163 -0.19115407 463.84361
43000 0.12076996 -3.0752802 0 -2.9720506 -0.45925901 466.21436
44000 0.12008601 -3.0854737 0 -2.9828287 -0.42730211 465.06031
45000 0.11523031 -3.0813219 0 -2.9828274 -0.25270677 464.6103
46000 0.11474818 -3.0809077 0 -2.9828253 -0.42749761 466.13298
47000 0.11255445 -3.0789955 0 -2.9827882 -0.21266892 464.50422
48000 0.11846657 -3.0840872 0 -2.9828265 -0.26492346 464.59321
49000 0.11649089 -3.0718217 0 -2.9722497 -0.42141906 467.89742
50000 0.11857682 -3.0736036 0 -2.9722486 -0.1389822 464.85208
51000 0.12327382 -3.0776206 0 -2.9722508 -0.30974423 465.46077
52000 0.11600223 -3.0823411 0 -2.9831868 -0.45359158 465.40117
53000 0.11363768 -3.080283 0 -2.9831499 -0.24565163 464.66219
54000 0.11563656 -3.0820291 0 -2.9831873 -0.52399163 465.73246
55000 0.10932144 -3.07663 0 -2.9831862 -0.28497633 464.77274
56000 0.11442216 -3.0809919 0 -2.9831882 -0.24532139 465.43717
57000 0.11466454 -3.0811996 0 -2.9831888 -0.44276747 467.24929
58000 0.12266453 -3.0880404 0 -2.9831915 -0.24936044 464.24984
59000 0.10932278 -3.0766304 0 -2.9831854 -0.24813701 465.04486
60000 0.11984215 -3.0856269 0 -2.9831904 -0.38791762 465.21812
Loop time of 0.850555 on 4 procs for 30000 steps with 420 atoms
Pair time (%) = 0.43598 (51.2583)
Neigh time (%) = 0.0184039 (2.16375)
Comm time (%) = 0.251242 (29.5386)
Outpt time (%) = 0.000487506 (0.0573163)
Other time (%) = 0.144442 (16.9821)
Nlocal: 105 ave 110 max 96 min
Histogram: 1 0 0 0 0 1 0 0 0 2
Nghost: 96 ave 99 max 92 min
Histogram: 1 0 0 0 1 0 0 0 1 1
Neighs: 892.75 ave 999 max 763 min
Histogram: 1 0 1 0 0 0 0 0 0 2
Total # of neighbors = 3571
Ave neighs/atom = 8.50238
Neighbor list builds = 631
Dangerous builds = 0
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