forked from lijiext/lammps
87 lines
3.4 KiB
Groff
87 lines
3.4 KiB
Groff
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
|