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lammps/examples/balance/log.27Sep16.balance.bond.fast.g++.4
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LAMMPS (26 Sep 2016)
# 2d circle of particles inside a box with LJ walls
variable b index 0
variable x index 50
variable y index 20
variable d index 20
variable v index 5
variable w index 2
units lj
dimension 2
atom_style bond
boundary f f p
lattice hex 0.85
Lattice spacing in x,y,z = 1.16553 2.01877 1.16553
region box block 0 $x 0 $y -0.5 0.5
region box block 0 50 0 $y -0.5 0.5
region box block 0 50 0 20 -0.5 0.5
create_box 1 box bond/types 1 extra/bond/per/atom 6
Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
2 by 2 by 1 MPI processor grid
region circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
region circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
region circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
region circle sphere 11 6.7735026918962581988 0.0 10
create_atoms 1 region circle
Created 361 atoms
mass 1 1.0
velocity all create 0.5 87287 loop geom
velocity all set $v $w 0 sum yes
velocity all set 5 $w 0 sum yes
velocity all set 5 2 0 sum yes
pair_style lj/cut 2.5
pair_coeff 1 1 10.0 1.0 2.5
bond_style harmonic
bond_coeff 1 10.0 1.2
# need to preserve 1-3, 1-4 pairwise interactions during hard collisions
special_bonds lj/coul 0 1 1
0 = max # of 1-2 neighbors
1 = max # of special neighbors
create_bonds all all 1 1.0 1.5
Neighbor list info ...
2 neighbor list requests
update every 1 steps, delay 10 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 2.8
ghost atom cutoff = 2.8
binsize = 1.4 -> bins = 42 29 1
Added 1014 bonds, new total = 1014
6 = max # of 1-2 neighbors
6 = max # of special neighbors
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes
fix 1 all nve
fix 2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
fix 2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
fix 3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
fix 3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5
comm_style tiled
comm_modify cutoff 7.5
fix 10 all balance 50 0.9 rcb
#compute 1 all property/atom proc
#variable p atom (c_1%10)+1
#dump 2 all custom 50 tmp.dump id v_p x y z
#dump 3 all image 50 image.*.jpg v_p type bond atom 0.25 # adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
#variable colors string # "red green blue yellow white # purple pink orange lime gray"
#dump_modify 3 pad 5 amap 0 10 sa 1 10 ${colors}
thermo_style custom step temp epair press f_10[3] f_10
thermo 100
run 10000
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 0 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 2.8
ghost atom cutoff = 7.5
binsize = 1.4 -> bins = 42 29 1
Memory usage per processor = 4.49421 Mbytes
Step Temp E_pair Press f_10[3] f_10
0 25.701528 -2.2032569 3.1039469 3.2354571 1.0526316
100 27.623422 -6.228166 2.6542136 1.2631579 1.0083102
200 33.35302 -15.746749 3.2018248 1.2963989 1.0193906
300 39.17734 -24.1557 4.9116986 1.2963989 1.0193906
400 41.660701 -27.615203 8.6214679 1.3518006 1.0083102
500 37.154928 -24.096947 3.2656178 1.3296399 1.0193906
600 35.059889 -21.524278 2.3728491 1.3296399 1.0083102
700 36.70511 -21.983922 3.299538 1.3296399 1.0083102
800 39.54394 -25.667546 4.3058382 1.3961219 1.0083102
900 37.868974 -24.379807 5.3176538 1.3518006 1.0083102
1000 36.721328 -23.341363 5.8700266 1.3407202 1.0083102
1100 35.646239 -23.3255 3.3762843 1.1855956 1.0083102
1200 31.452912 -20.792985 5.4901357 1.1966759 1.0083102
1300 32.276549 -21.245929 6.4153084 1.2077562 1.0193906
1400 29.452751 -20.724401 2.174752 1.1855956 1.0083102
1500 28.014757 -18.893532 1.7482766 1.1634349 1.0083102
1600 26.222645 -16.78953 0.93944237 1.1966759 1.0304709
1700 25.711888 -15.792639 0.20021405 1.0969529 1.0083102
1800 24.412639 -13.217606 0.7091708 1.1966759 1.0083102
1900 25.644324 -13.020594 1.3661224 1.1412742 1.0083102
2000 24.556667 -13.580087 0.80121134 1.0637119 1.0083102
2100 25.23657 -13.560862 1.2349706 1.1191136 1.0193906
2200 26.456985 -13.804729 1.27046 1.1412742 1.0193906
2300 26.416685 -13.212452 1.4096744 1.1412742 1.0083102
2400 25.472914 -12.472527 1.5408641 1.1412742 1.0083102
2500 25.216305 -12.597474 0.84328282 1.1412742 1.0083102
2600 24.107024 -12.455199 1.5587978 1.2409972 1.0193906
2700 26.840175 -15.533209 1.2944973 1.1745152 1.0083102
2800 26.149759 -14.83948 4.0371126 1.0747922 1.0083102
2900 24.651151 -14.934342 2.7634302 1.0747922 1.0193906
3000 21.873123 -13.366381 -0.18605935 1.1301939 1.0083102
3100 19.974658 -10.620844 -0.16366371 1.0637119 1.0193906
3200 20.926558 -10.336663 -0.73116364 1.1080332 1.0083102
3300 20.473772 -10.588752 -0.66017168 1.0858726 1.0304709
3400 22.476649 -11.87982 1.0141731 1.0747922 1.0083102
3500 24.02361 -12.532787 1.4116935 1.1191136 1.0083102
3600 22.922792 -12.328391 -0.27783338 1.0969529 1.0083102
3700 21.772971 -10.716922 0.95739835 1.1523546 1.0083102
3800 21.597174 -10.839031 0.67958603 1.1191136 1.0193906
3900 21.883448 -11.258422 -0.40592732 1.0637119 1.0193906
4000 22.815486 -10.891868 1.6123322 1.1301939 1.0193906
4100 23.276599 -11.400134 0.65653972 1.0415512 1.0193906
4200 22.543441 -11.530245 0.074132899 1.1523546 1.0193906
4300 22.863379 -10.809451 0.27552824 1.1412742 1.0193906
4400 22.475073 -11.125735 1.7708547 1.1191136 1.0193906
4500 23.500125 -11.680919 0.91347563 1.0858726 1.0083102
4600 21.1812 -11.767353 0.095659263 1.1191136 1.0193906
4700 22.950759 -12.108158 0.083009642 1.1966759 1.0083102
4800 22.12306 -11.455893 0.47932308 1.1080332 1.0083102
4900 23.297573 -11.823246 0.93733479 1.0969529 1.0083102
5000 22.98743 -12.014836 0.36186604 1.1080332 1.0083102
5100 23.081456 -11.54226 0.73473004 1.0747922 1.0193906
5200 20.980311 -11.493036 -0.71555187 1.0637119 1.0193906
5300 21.468406 -11.18497 0.54579843 1.0304709 1.0193906
5400 22.75839 -10.856825 0.94407228 1.1191136 1.0083102
5500 22.705652 -12.112469 0.4753399 1.1412742 1.0083102
5600 22.391177 -12.530712 1.0180383 1.1412742 1.0083102
5700 21.832834 -11.368512 0.88281166 1.0415512 1.0083102
5800 22.850002 -11.948876 -0.46874747 1.0747922 1.0083102
5900 21.135991 -12.358431 -0.48932559 1.0526316 1.0193906
6000 22.071115 -11.433484 0.49653696 1.0747922 1.0304709
6100 21.91427 -11.458553 -0.030708226 1.0637119 1.0193906
6200 24.173206 -13.110269 -0.13661363 1.1412742 1.0083102
6300 22.204413 -11.373556 1.6254012 1.0747922 1.0304709
6400 23.259022 -11.634614 1.4472592 1.1412742 1.0193906
6500 22.185287 -11.606998 0.66488201 1.0415512 1.0083102
6600 21.329653 -10.989853 0.31700842 1.1301939 1.0083102
6700 21.903749 -10.335477 1.3749575 1.0637119 1.0083102
6800 21.188714 -10.545014 1.3448408 1.0415512 1.0083102
6900 22.683005 -11.254371 0.5048545 1.1523546 1.0193906
7000 21.224439 -9.7325551 0.71666112 1.0637119 1.0083102
7100 21.712624 -10.594397 0.3657261 1.0858726 1.0193906
7200 22.115857 -10.479237 0.95528164 1.0969529 1.0193906
7300 22.075732 -11.255 -0.35340754 1.0526316 1.0193906
7400 21.659767 -10.238454 -0.063639729 1.1523546 1.0083102
7500 21.966354 -10.654264 0.36298903 1.0747922 1.0083102
7600 21.541195 -11.151416 0.96453416 1.1080332 1.0193906
7700 23.517228 -12.266781 0.49603585 1.1523546 1.0193906
7800 21.665911 -11.832323 0.47104209 1.1080332 1.0083102
7900 23.469372 -12.358423 -0.757413 1.0747922 1.0193906
8000 21.699467 -11.462824 -0.73009236 1.0415512 1.0083102
8100 21.583783 -10.21474 0.98837038 1.0969529 1.0193906
8200 21.804998 -10.916922 -0.53268178 1.0858726 1.0083102
8300 21.291145 -10.875356 0.81277146 1.0858726 1.0193906
8400 21.939964 -10.726547 0.95830844 1.0415512 1.0193906
8500 23.600157 -11.041255 -0.14583876 1.0747922 1.0083102
8600 22.37787 -10.946852 1.0360646 1.0415512 1.0083102
8700 23.591205 -11.524803 1.1877377 1.0526316 1.0304709
8800 22.567007 -11.4629 0.4360461 1.0526316 1.0083102
8900 22.11289 -11.772849 -0.019132631 1.0304709 1.0193906
9000 22.814946 -11.705633 0.59029789 1.0747922 1.0083102
9100 22.58487 -11.431283 0.9884223 1.1634349 1.0083102
9200 23.283939 -11.825534 0.68358625 1.0637119 1.0083102
9300 23.292444 -11.365494 0.78631005 1.0526316 1.0083102
9400 21.748634 -10.16176 0.59185916 1.0969529 1.0083102
9500 21.644797 -10.00944 1.1450108 1.0637119 1.0304709
9600 23.01957 -10.683211 1.5735291 1.0637119 1.0193906
9700 21.207989 -10.344668 0.34401867 1.0969529 1.0083102
9800 22.035363 -10.849581 -0.14118639 1.0304709 1.0083102
9900 21.839653 -10.008407 0.96570633 1.0526316 1.0193906
10000 22.845561 -10.238723 0.74236932 1.0858726 1.0083102
Loop time of 0.812716 on 4 procs for 10000 steps with 361 atoms
Performance: 5315508.362 tau/day, 12304.418 timesteps/s
98.9% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.12434 | 0.13482 | 0.14506 | 2.5 | 16.59
Bond | 0.053339 | 0.058165 | 0.062916 | 1.9 | 7.16
Neigh | 0.28554 | 0.29233 | 0.29933 | 0.9 | 35.97
Comm | 0.16602 | 0.19226 | 0.21833 | 4.3 | 23.66
Output | 0.0017536 | 0.0019155 | 0.0022504 | 0.4 | 0.24
Modify | 0.040126 | 0.040341 | 0.04054 | 0.1 | 4.96
Other | | 0.09288 | | | 11.43
Nlocal: 90.25 ave 91 max 90 min
Histogram: 3 0 0 0 0 0 0 0 0 1
Nghost: 198.25 ave 206 max 191 min
Histogram: 1 1 0 0 0 0 0 0 1 1
Neighs: 667.75 ave 751 max 627 min
Histogram: 2 0 1 0 0 0 0 0 0 1
Total # of neighbors = 2671
Ave neighs/atom = 7.39889
Ave special neighs/atom = 5.61773
Neighbor list builds = 4832
Dangerous builds = 0
Total wall time: 0:00:00
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