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Axel Kohlmeyer
2022-04-13 12:59:30 -04:00
parent 0f1097d7e6
commit fb37c86632
1 changed files with 0 additions and 217 deletions
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examples/bpm/impact/log.27Oct2021.impact.spring.g++.4
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LAMMPS (27 Oct 2021)
units lj
dimension 3
boundary f f f
atom_style sphere/bpm
special_bonds lj 0.0 1.0 1.0 coul 0.0 1.0 1.0
newton on off
comm_modify vel yes cutoff 2.6
lattice fcc 1.0
Lattice spacing in x,y,z = 1.5874011 1.5874011 1.5874011
region box block -25 15 -22 22 -22 22
create_box 1 box bond/types 2 extra/bond/per/atom 20 extra/special/per/atom 50
Created orthogonal box = (-39.685026 -34.922823 -34.922823) to (23.811016 34.922823 34.922823)
1 by 2 by 2 MPI processor grid
region disk cylinder x 0.0 0.0 20.0 -0.5 0.5
create_atoms 1 region disk
Created 7529 atoms
using lattice units in orthogonal box = (-39.685026 -34.922823 -34.922823) to (23.811016 34.922823 34.922823)
create_atoms CPU = 0.006 seconds
group plate region disk
7529 atoms in group plate
region ball sphere 8.0 0.0 0.0 6.0
create_atoms 1 region ball
Created 3589 atoms
using lattice units in orthogonal box = (-39.685026 -34.922823 -34.922823) to (23.811016 34.922823 34.922823)
create_atoms CPU = 0.001 seconds
group projectile region ball
3589 atoms in group projectile
displace_atoms all random 0.1 0.1 0.1 134598738
Displacing atoms ...
neighbor 1.0 bin
pair_style gran/hooke/history 1.0 NULL 0.5 NULL 0.1 1
pair_coeff 1 1
fix 1 all nve/sphere/bpm
create_bonds many plate plate 1 0.0 1.5
Neighbor list info ...
update every 1 steps, delay 10 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 2
ghost atom cutoff = 2.6
binsize = 1, bins = 64 70 70
2 neighbor lists, perpetual/occasional/extra = 1 1 0
(1) command create_bonds, occasional
attributes: full, newton on
pair build: full/bin
stencil: full/bin/3d
bin: standard
(2) pair gran/hooke/history, perpetual
attributes: half, newton on, size, history
pair build: half/size/bin/newton
stencil: half/bin/3d
bin: standard
Added 38559 bonds, new total = 38559
Finding 1-2 1-3 1-4 neighbors ...
special bond factors lj: 0 1 1
special bond factors coul: 0 1 1
15 = max # of 1-2 neighbors
101 = max # of special neighbors
special bonds CPU = 0.002 seconds
create_bonds many projectile projectile 2 0.0 1.5
WARNING: Bonds are defined but no bond style is set (../force.cpp:191)
WARNING: Likewise 1-2 special neighbor interactions != 1.0 (../force.cpp:193)
Added 21869 bonds, new total = 60428
Finding 1-2 1-3 1-4 neighbors ...
special bond factors lj: 0 1 1
special bond factors coul: 0 1 1
16 = max # of 1-2 neighbors
101 = max # of special neighbors
special bonds CPU = 0.002 seconds
neighbor 0.3 bin
special_bonds lj 0.0 1.0 1.0 coul 1.0 1.0 1.0
bond_style bpm/rotational store/local brkbond 100 time id1 id2
bond_coeff 1 1.0 0.2 0.02 0.02 0.05 0.01 0.01 0.01 0.1 0.02 0.002 0.002
bond_coeff 2 1.0 0.2 0.02 0.02 0.20 0.04 0.04 0.04 0.1 0.02 0.002 0.002
velocity projectile set -0.05 0.0 0.0
compute nbond all nbond/atom
compute tbond all reduce sum c_nbond
timestep 0.05
thermo_style custom step ke pe pxx pyy pzz c_tbond
thermo 100
thermo_modify lost ignore lost/bond ignore
#dump 1 all custom 100 atomDump id radius x y z c_nbond
dump 2 all local 100 brokenDump f_brkbond[1] f_brkbond[2] f_brkbond[3]
dump_modify 2 header no
run 7500
WARNING: No fixes with time integration, atoms won't move (../verlet.cpp:60)
Neighbor list info ...
update every 1 steps, delay 10 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 1.3
ghost atom cutoff = 2.6
binsize = 0.65, bins = 98 108 108
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair gran/hooke/history, perpetual
attributes: half, newton on, size, history
pair build: half/size/bin/newton
stencil: half/bin/3d
bin: standard
Per MPI rank memory allocation (min/avg/max) = 33.34 | 33.34 | 33.35 Mbytes
Step KinEng PotEng Pxx Pyy Pzz c_tbond
0 0.00053238861 0 3.8217307e-05 0 0 10.8703
100 0.00053238861 0 3.8217307e-05 2.0196245e-19 2.0291801e-19 10.8703
200 0.00053238861 0 3.8217307e-05 3.0246341e-19 2.9178664e-19 10.8703
300 0.00053238861 0 3.8217307e-05 3.3428362e-19 3.2669661e-19 10.8703
400 0.00053238861 0 3.8217307e-05 3.5002919e-19 3.3516777e-19 10.8703
500 0.00053102278 0 3.8469829e-05 7.3311547e-08 1.4473347e-07 10.8703
600 0.00051549609 0 4.0342929e-05 3.87734e-07 4.9640786e-07 10.868322
700 0.00050121532 0 3.8778736e-05 4.6411496e-07 4.3149467e-07 10.850333
800 0.00049869661 0 3.6779398e-05 4.748259e-07 3.5191586e-07 10.803202
900 0.00049580923 0 3.5608764e-05 9.3667316e-07 5.0139078e-07 10.737363
1000 0.00049478796 0 3.5573518e-05 7.9599489e-07 6.7732416e-07 10.683396
1100 0.00048712204 0 3.5843955e-05 1.1345563e-06 1.4066243e-06 10.662169
1200 0.00048265244 0 3.5288538e-05 1.7434542e-06 1.6555952e-06 10.642921
1300 0.00047982046 0 3.4929699e-05 1.5116612e-06 1.1824842e-06 10.62925
1400 0.00048024672 0 3.4696478e-05 1.0219046e-06 9.6017582e-07 10.619716
1500 0.0004721757 0 3.4671814e-05 1.7623303e-06 1.6904391e-06 10.608023
1600 0.00045691175 0 3.3618706e-05 2.0127313e-06 2.2294075e-06 10.599208
1700 0.00044846472 0 3.2628068e-05 2.1732651e-06 2.6125725e-06 10.586796
1800 0.00044916668 0 3.2074126e-05 1.713271e-06 2.2306226e-06 10.562691
1900 0.00044434475 0 3.1841489e-05 1.4069412e-06 1.6739368e-06 10.540025
2000 0.00044011236 0 3.1535369e-05 1.8850064e-06 1.966093e-06 10.508365
2100 0.00043343658 0 3.1327313e-05 1.7877497e-06 1.9031224e-06 10.466271
2200 0.00043076716 0 3.1141775e-05 2.260934e-06 1.7405179e-06 10.428135
2300 0.0004252247 0 3.065038e-05 1.8685672e-06 1.6444209e-06 10.398993
2400 0.00042502327 0 3.0356508e-05 1.8748934e-06 1.3329686e-06 10.380644
2500 0.00042142831 0 3.0164965e-05 2.1119049e-06 1.7118338e-06 10.366433
2600 0.00042131885 0 3.0065244e-05 1.6092748e-06 1.5373156e-06 10.35456
2700 0.00042303607 0 3.0011813e-05 1.7496254e-06 1.77836e-06 10.327937
2800 0.00042148119 0 2.9849777e-05 1.5035087e-06 1.5374543e-06 10.314085
2900 0.00042092112 0 2.9766439e-05 1.2512363e-06 1.417453e-06 10.302572
3000 0.00042298628 0 2.985456e-05 1.030367e-06 1.2706193e-06 10.297536
3100 0.00042098731 0 2.9773119e-05 1.1020439e-06 1.3236711e-06 10.293938
3200 0.00042190155 0 2.975807e-05 1.0825659e-06 1.207615e-06 10.2907
3300 0.00041840008 0 2.9573071e-05 1.0027126e-06 1.0591685e-06 10.286562
3400 0.00041726315 0 2.9629012e-05 1.3206781e-06 1.0694496e-06 10.280986
3500 0.00041553548 0 2.9393577e-05 1.4604125e-06 1.2547784e-06 10.27361
3600 0.00041551693 0 2.9122892e-05 1.0944373e-06 9.6499513e-07 10.271632
3700 0.00041351569 0 2.8943889e-05 9.6203862e-07 8.3123719e-07 10.270192
3800 0.00041419735 0 2.9031969e-05 1.1893061e-06 7.9832166e-07 10.267494
3900 0.0004142108 0 2.8912904e-05 1.0049279e-06 9.0628823e-07 10.255442
4000 0.00041253668 0 2.8794779e-05 8.3301821e-07 8.2348634e-07 10.250045
4100 0.00041245029 0 2.8626953e-05 1.0440229e-06 9.7296445e-07 10.239971
4200 0.00041239868 0 2.8576872e-05 8.5677759e-07 9.4929241e-07 10.235114
4300 0.0004105539 0 2.845078e-05 7.9007545e-07 9.4314698e-07 10.227559
4400 0.00041038071 0 2.8447842e-05 8.3506095e-07 9.403948e-07 10.220363
4500 0.0004094738 0 2.8385536e-05 7.4474323e-07 8.9167115e-07 10.214247
4600 0.00040931891 0 2.8293128e-05 6.9842277e-07 8.7986292e-07 10.211189
4700 0.00040935826 0 2.832743e-05 7.7312621e-07 8.6571149e-07 10.208491
4800 0.00040894424 0 2.8290022e-05 7.560957e-07 7.8478084e-07 10.202195
4900 0.00040771373 0 2.8211024e-05 8.8835691e-07 7.6981867e-07 10.196816
5000 0.0004075835 0 2.8242057e-05 7.9265659e-07 8.5594679e-07 10.18854
5100 0.00040629886 0 2.8147996e-05 8.29922e-07 8.2991198e-07 10.186938
5200 0.00040615587 0 2.8075206e-05 7.9676977e-07 8.3313535e-07 10.183699
5300 0.00040623905 0 2.8061445e-05 8.5454501e-07 8.3464967e-07 10.18154
5400 0.00040639649 0 2.8095492e-05 9.219289e-07 8.8970884e-07 10.180281
5500 0.00040632069 0 2.8146737e-05 9.5125536e-07 9.2967258e-07 10.179741
5600 0.00040615846 0 2.8095814e-05 9.4628277e-07 9.4475909e-07 10.179201
5700 0.00040661759 0 2.8056252e-05 9.1418005e-07 9.3869835e-07 10.177942
5800 0.00040636342 0 2.7980285e-05 8.7191961e-07 9.4296893e-07 10.177042
5900 0.00040517906 0 2.7876934e-05 8.3277579e-07 9.2807515e-07 10.178694
6000 0.00040392762 0 2.7828073e-05 8.3950266e-07 9.4521092e-07 10.180166
6100 0.00040367162 0 2.7800472e-05 8.720166e-07 1.0332147e-06 10.179806
6200 0.00040335119 0 2.7762148e-05 8.5284463e-07 9.3150721e-07 10.179086
6300 0.00040340642 0 2.7769051e-05 8.3428098e-07 8.7041896e-07 10.178546
6400 0.0004030719 0 2.7741943e-05 7.952126e-07 8.3664709e-07 10.179282
6500 0.00040347682 0 2.7744595e-05 7.8058438e-07 8.4639064e-07 10.178382
6600 0.00040257759 0 2.7667961e-05 7.8150592e-07 8.5501519e-07 10.179298
6700 0.00040217981 0 2.7649415e-05 8.1293625e-07 9.4727792e-07 10.178938
6800 0.00040191405 0 2.7693195e-05 8.0894279e-07 1.1604089e-06 10.178938
6900 0.00040208358 0 2.7773245e-05 7.9264674e-07 1.1927033e-06 10.178758
7000 0.00040239724 0 2.782978e-05 8.330894e-07 1.2084905e-06 10.178758
7100 0.00040269303 0 2.7728862e-05 8.1375466e-07 1.0779344e-06 10.178758
7200 0.00040227155 0 2.7654709e-05 8.3101678e-07 9.7757461e-07 10.17969
7300 0.00040115701 0 2.7604211e-05 8.07161e-07 9.4401828e-07 10.181376
7400 0.00039998681 0 2.7528309e-05 7.8970732e-07 9.3464728e-07 10.182703
7500 0.00039916281 0 2.7432547e-05 7.9446882e-07 8.9887681e-07 10.182949
Loop time of 34.6948 on 4 procs for 7500 steps with 11096 atoms
Performance: 933857.672 tau/day, 216.171 timesteps/s
98.4% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.32481 | 0.33445 | 0.34816 | 1.6 | 0.96
Bond | 26.728 | 28.076 | 29.753 | 23.9 | 80.92
Neigh | 0.68094 | 0.72261 | 0.7747 | 4.8 | 2.08
Comm | 1.5266 | 3.3654 | 4.8309 | 75.3 | 9.70
Output | 0.018332 | 0.018804 | 0.019756 | 0.4 | 0.05
Modify | 1.9305 | 2.0147 | 2.1302 | 6.0 | 5.81
Other | | 0.1631 | | | 0.47
Nlocal: 2774.00 ave 2898 max 2701 min
Histogram: 1 1 0 1 0 0 0 0 0 1
Nghost: 1165.25 ave 1208 max 1142 min
Histogram: 2 0 0 1 0 0 0 0 0 1
Neighs: 11425.0 ave 12539 max 10556 min
Histogram: 1 0 1 0 1 0 0 0 0 1
Total # of neighbors = 45700
Ave neighs/atom = 4.1186013
Ave special neighs/atom = 10.184841
Neighbor list builds = 451
Dangerous builds = 0
Total wall time: 0:00:35