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lammps/examples/body/log.15Feb16.body.g++.1
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LAMMPS (15 Feb 2016)
# 2d polygon nparticle bodies
units lj
dimension 2
atom_style body nparticle 2 6
read_data data.body
orthogonal box = (-15.5322 -15.5322 -0.5) to (15.5322 15.5322 0.5)
1 by 1 by 1 MPI processor grid
reading atoms ...
100 atoms
100 bodies
velocity all create 1.44 87287 loop geom
pair_style body 5.0
pair_coeff * * 1.0 1.0
neighbor 0.3 bin
fix 1 all nve/body
fix 2 all enforce2d
#compute 1 all body/local type 1 2 3
#dump 1 all local 100 dump.body index c_1[1] c_1[2] c_1[3] c_1[4]
thermo 500
run 10000
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 10 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 5.3
ghost atom cutoff = 5.3
binsize = 2.65 -> bins = 12 12 1
Memory usage per processor = 3.95249 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1.44 -0.63799525 0 0.78760475 -0.15028724
500 1.5681124 -1.6060641 0 -0.053632801 0.23819933
1000 1.7596217 -1.7290976 0 0.012927885 0.12600944
1500 1.5746717 -1.5427933 0 0.016131762 0.21832857
2000 1.618761 -1.5563092 0 0.04626422 0.35910744
2500 1.7204861 -1.6946681 0 0.0086130985 0.24678557
3000 1.7361478 -1.7074239 0 0.011362383 0.28900802
3500 1.6065118 -1.5857229 0 0.0047237772 0.43793842
4000 1.8157912 -1.7310796 0 0.06655375 0.072835934
4500 1.7986098 -1.74424 0 0.036383686 0.25507425
5000 1.7182236 -1.7110892 0 -0.010047817 0.19846764
5500 1.6246782 -1.5532517 0 0.055179713 0.38134959
6000 1.5745671 -1.6393559 0 -0.08053447 0.52399765
6500 1.7556697 -1.8091946 0 -0.071081574 0.25253905
7000 1.6360783 -1.7317121 0 -0.11199463 0.19797181
7500 1.7873556 -1.6976635 0 0.071818533 0.18343875
8000 1.4168755 -1.5596513 0 -0.15694455 0.38638741
8500 1.659868 -1.6673176 0 -0.024048309 0.17576797
9000 1.7040724 -1.6906772 0 -0.0036454592 0.12467855
9500 1.6305347 -1.7599864 0 -0.14575703 0.11285404
10000 1.7422091 -1.8887509 0 -0.16396383 0.29065244
Loop time of 2.35255 on 1 procs for 10000 steps with 100 atoms
Performance: 1836307.682 tau/day, 4250.712 timesteps/s
99.9% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 2.1426 | 2.1426 | 2.1426 | 0.0 | 91.08
Neigh | 0.016685 | 0.016685 | 0.016685 | 0.0 | 0.71
Comm | 0.026507 | 0.026507 | 0.026507 | 0.0 | 1.13
Output | 0.00015068 | 0.00015068 | 0.00015068 | 0.0 | 0.01
Modify | 0.16023 | 0.16023 | 0.16023 | 0.0 | 6.81
Other | | 0.006348 | | | 0.27
Nlocal: 100 ave 100 max 100 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 82 ave 82 max 82 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 428 ave 428 max 428 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 428
Ave neighs/atom = 4.28
Neighbor list builds = 776
Dangerous builds = 65
Total wall time: 0:00:02
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