Homec4science
Diffusion lammps (lammps-icms) Browse

lammps/examples/indent/log.indent.9Jan12.linux.4
5026f4b7886blammps-icms

Last Change
Raw File

log.indent.9Jan12.linux.4
View Options

LAMMPS (10 Jan 2012)
# 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 882.8492869 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 (thermo.cpp:442)
dump 1 all atom 250 dump.indent
run 30000
Memory usage per processor = 2.06073 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 0.2 -3.1727576 0 -3.0018052 -1.4364576 444.44898
1000 0.11573595 -3.0964873 0 -2.9975606 -0.20452577 441.75296
2000 0.11519605 -3.0960246 0 -2.9975594 -0.38140765 442.24623
3000 0.11367906 -3.0839597 0 -2.9867912 -0.42587846 444.50683
4000 0.11618844 -3.0860897 0 -2.9867762 -0.041588892 439.76178
5000 0.11327789 -3.0848614 0 -2.9880358 -0.48908114 446.10767
6000 0.12058424 -3.0869438 0 -2.983873 0.011479332 440.48452
7000 0.11772522 -3.0833477 0 -2.9827207 -0.090395475 442.48351
8000 0.12533514 -3.0970033 0 -2.9898715 0.13265726 441.15042
9000 0.1198683 -3.0867062 0 -2.9842473 0.340532 439.38624
10000 0.12234014 -3.0835007 0 -2.9789291 0.28405153 441.85872
11000 0.11082436 -3.0754796 0 -2.9807511 0.62206175 441.23576
12000 0.10842719 -3.0646379 0 -2.9719584 0.65396032 442.56232
13000 0.11686417 -3.0600388 0 -2.9601477 1.0043055 438.41699
14000 0.12557378 -3.0570017 0 -2.949666 0.85725525 442.01753
15000 0.11934084 -3.0498848 0 -2.9478768 1.039414 451.6596
16000 0.12576913 -3.045218 0 -2.9377154 1.3482054 441.18584
17000 0.11546547 -3.0348364 0 -2.9361409 1.6321324 439.40029
18000 0.12148737 -3.0221156 0 -2.9182728 1.6092057 449.17017
19000 0.11883764 -3.0036776 0 -2.9020997 1.5204069 447.04095
20000 0.1116568 -3.0038165 0 -2.9083766 1.4080056 461.66692
21000 0.11344555 -2.9898881 0 -2.8929192 1.134675 473.88035
22000 0.11948255 -3.0240618 0 -2.9219327 0.8071654 473.3811
23000 0.1167118 -3.012886 0 -2.9131252 1.1366688 470.07014
24000 0.1139144 -3.0145927 0 -2.9172231 0.75037492 475.10421
25000 0.11524573 -3.0017351 0 -2.9032274 1.056555 470.50461
26000 0.11964798 -3.0134647 0 -2.9111942 1.4494695 466.24739
27000 0.12346176 -3.0083111 0 -2.9027807 1.5494444 469.95245
28000 0.12260647 -2.9956772 0 -2.8908779 1.7319832 470.55197
29000 0.12231691 -2.9866104 0 -2.8820586 1.9114487 468.06771
30000 0.1134125 -2.9719856 0 -2.8750449 1.735366 474.78395
Loop time of 1.0663 on 4 procs for 30000 steps with 420 atoms
Pair time (%) = 0.451498 (42.3424)
Neigh time (%) = 0.0176335 (1.6537)
Comm time (%) = 0.308133 (28.8973)
Outpt time (%) = 0.0310341 (2.91044)
Other time (%) = 0.258004 (24.1961)
Nlocal: 105 ave 116 max 91 min
Histogram: 1 0 0 1 0 0 0 0 1 1
Nghost: 94 ave 100 max 86 min
Histogram: 1 0 0 1 0 0 0 0 0 2
Neighs: 925.75 ave 1100 max 749 min
Histogram: 1 1 0 0 0 0 0 0 1 1
Total # of neighbors = 3703
Ave neighs/atom = 8.81667
Neighbor list builds = 611
Dangerous builds = 0
# run without indenter
unfix 4
run 30000
Memory usage per processor = 2.06079 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
30000 0.1134125 -2.9719856 0 -2.8750449 1.7378746 474.09862
31000 0.11671309 -3.0217195 0 -2.9219576 -0.50572599 490.27459
32000 0.11261625 -2.9897143 0 -2.8934542 -0.70997911 493.98951
33000 0.11498233 -3.0201655 0 -2.921883 0.38808051 478.58058
34000 0.11444975 -3.0198659 0 -2.9220386 0.14411722 480.00811
35000 0.11671309 -3.0101633 0 -2.9104013 -0.31038903 489.29194
36000 0.11832748 -3.033948 0 -2.9328062 0.28268025 485.97741
37000 0.12386678 -3.0497535 0 -2.9438769 -0.096409691 481.17214
38000 0.10970544 -3.0368866 0 -2.9431146 -0.57192593 488.84185
39000 0.11752117 -3.0438396 0 -2.9433869 -0.13110937 481.57511
40000 0.1278535 -3.0527156 0 -2.9434313 -0.020633536 480.95061
41000 0.11847117 -3.0444569 0 -2.9431922 -0.32009068 483.3596
42000 0.10998018 -3.0371983 0 -2.9431914 -0.11913829 485.08859
43000 0.12322652 -3.0486827 0 -2.9433534 -0.018180953 480.95501
44000 0.1165669 -3.0437041 0 -2.9440672 -0.22685911 483.00453
45000 0.12003564 -3.046557 0 -2.9439551 -0.24287632 485.55689
46000 0.11627326 -3.0433775 0 -2.9439916 0.0072953137 481.95676
47000 0.12002477 -3.0467416 0 -2.944149 -0.33751499 484.3466
48000 0.11111324 -3.0390436 0 -2.9440683 -0.077328891 479.23853
49000 0.12033918 -3.0470467 0 -2.9441854 -0.092900033 482.77182
50000 0.12148513 -3.0361756 0 -2.9323348 -0.29588104 483.00856
51000 0.11671309 -3.044055 0 -2.9442931 -0.15159 481.04897
52000 0.12315525 -3.0496811 0 -2.9444127 -0.18861076 484.19046
53000 0.11997084 -3.0468807 0 -2.9443342 -0.28251306 484.17158
54000 0.1213341 -3.0480047 0 -2.9442929 -0.35292761 488.50849
55000 0.11788218 -3.045133 0 -2.9443718 -0.18025658 482.13662
56000 0.12296487 -3.049555 0 -2.9444493 -0.139658 483.25481
57000 0.11729933 -3.0447115 0 -2.9444485 -0.24740079 482.47832
58000 0.11901212 -3.0460985 0 -2.9443714 -0.2523838 484.38143
59000 0.11452134 -3.0424137 0 -2.9445252 -0.13008427 481.35053
60000 0.1121022 -3.0402301 0 -2.9444094 -0.21943641 488.19161
Loop time of 0.960824 on 4 procs for 30000 steps with 420 atoms
Pair time (%) = 0.445671 (46.3843)
Neigh time (%) = 0.0183511 (1.90994)
Comm time (%) = 0.31143 (32.4128)
Outpt time (%) = 0.030867 (3.21255)
Other time (%) = 0.154504 (16.0804)
Nlocal: 105 ave 115 max 90 min
Histogram: 1 0 0 0 1 0 0 0 0 2
Nghost: 91.25 ave 98 max 83 min
Histogram: 1 0 1 0 0 0 0 0 0 2
Neighs: 895.25 ave 1042 max 713 min
Histogram: 1 0 1 0 0 0 0 0 0 2
Total # of neighbors = 3581
Ave neighs/atom = 8.52619
Neighbor list builds = 633
Dangerous builds = 0
c4science · Help