git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1395 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
120
examples/colloid/log.colloid.22Jan08.linux.1
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120
examples/colloid/log.colloid.22Jan08.linux.1
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@ -0,0 +1,120 @@
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||||
LAMMPS (22 Jan 2008)
|
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# Big colloid particles and small LJ particles
|
||||
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||||
units lj
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||||
atom_style atomic
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||||
dimension 2
|
||||
|
||||
lattice sq 0.01
|
||||
Lattice spacing in x,y,z = 10 10 10
|
||||
region box block 0 30 0 30 -0.5 0.5
|
||||
create_box 2 box
|
||||
Created orthogonal box = (0 0 -5) to (300 300 5)
|
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1 by 1 by 1 processor grid
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||||
create_atoms 1 box
|
||||
Created 900 atoms
|
||||
|
||||
set group all type/fraction 2 0.96 23984
|
||||
861 settings made for type/fraction
|
||||
|
||||
mass 1 9
|
||||
mass 2 1
|
||||
|
||||
velocity all create 1.44 87287 loop geom
|
||||
|
||||
# multi neighbor and comm for efficiency
|
||||
|
||||
neighbor 1 multi
|
||||
neigh_modify delay 0
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||||
communicate multi
|
||||
|
||||
# colloid potential
|
||||
|
||||
pair_style colloid 12.5
|
||||
pair_coeff 1 1 1.0 1.0 5.0 5.0 12.5
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||||
pair_coeff 1 2 5.0 1.0 5.0 0.0 7.0
|
||||
pair_coeff 2 2 10.0 1.0 0.0 0.0 2.5
|
||||
|
||||
fix 1 all npt 2.0 2.0 1.0 xyz 0.0 1.0 10.0 drag 1.0
|
||||
fix 2 all enforce2d
|
||||
|
||||
dump 1 all atom 200 dump.colloid
|
||||
|
||||
thermo_style custom step temp epair etotal press vol
|
||||
thermo 1000
|
||||
|
||||
timestep 0.005
|
||||
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||||
run 50000
|
||||
Memory usage per processor = 1.84805 Mbytes
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||||
Step Temp E_pair TotEng Press Volume
|
||||
0 1.44 -2.2136534e-06 1.4375978 0.014375923 90000
|
||||
1000 1.7223464 0.00099729506 1.7204731 0.015431199 101039.13
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||||
2000 1.9986619 0.00075906115 1.9960899 0.018607661 99018.745
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||||
3000 2.1174664 0.0023215952 2.1162589 0.029169081 68947.872
|
||||
4000 2.0922515 0.0027117962 2.0914762 0.048247413 41709.954
|
||||
5000 2.0457094 -0.0017934808 2.0405064 0.069440615 27252.713
|
||||
6000 2.0094249 -0.0030357548 2.0030401 0.095318346 20437.896
|
||||
7000 1.9791016 0.015378539 1.9911816 0.12201039 16963.981
|
||||
8000 2.0037567 0.00087754405 2.0012947 0.13624715 14904.297
|
||||
9000 1.9954986 0.0074776387 1.9996504 0.15437139 13466.422
|
||||
10000 2.0017119 0.0090860936 2.0074618 0.15967653 12285.361
|
||||
11000 1.9965885 0.020076864 2.0133378 0.20431975 11226.299
|
||||
12000 1.9893265 0.029138936 2.0151499 0.22508119 10359.215
|
||||
13000 2.0096277 0.0055549561 2.0118333 0.23118708 9650.1073
|
||||
14000 1.9874756 0.025360954 2.009524 0.25223651 9022.125
|
||||
15000 1.9818513 0.036888053 2.0154362 0.3116855 8475.2794
|
||||
16000 1.9928816 0.018897335 2.0084574 0.30081232 8067.2389
|
||||
17000 1.9990591 0.025240285 2.0209676 0.30592349 7632.1957
|
||||
18000 2.0101337 0.01582473 2.0226082 0.35986446 7250.9935
|
||||
19000 2.0091976 0.019233907 2.0250828 0.33919836 6974.9737
|
||||
20000 2.0064131 0.017623877 2.020693 0.35420372 6745.1629
|
||||
21000 1.9971779 0.023499432 2.0173487 0.40913112 6504.8686
|
||||
22000 1.9899433 0.036716791 2.0233435 0.46792355 6249.486
|
||||
23000 2.0165042 0.030701843 2.0438452 0.43797608 6047.9924
|
||||
24000 2.0162136 0.034428645 2.0472819 0.45591758 5884.7421
|
||||
25000 2.0127204 0.035477231 2.0448431 0.5131322 5698.5164
|
||||
26000 2.0187252 0.017160139 2.0325208 0.43758584 5558.1903
|
||||
27000 1.9830248 0.049563853 2.0292837 0.56069898 5409.6546
|
||||
28000 2.0189391 0.019264404 2.0348386 0.48027834 5284.0336
|
||||
29000 1.9713776 0.050692614 2.0187846 0.61025529 5173.3555
|
||||
30000 1.9819168 0.039816462 2.0184301 0.63355537 5059.7477
|
||||
31000 1.9957876 0.045223147 2.0376844 0.60945681 4940.036
|
||||
32000 2.0208255 0.028176971 2.0456344 0.62584685 4820.4303
|
||||
33000 2.0103751 0.039181534 2.046206 0.69487302 4753.2781
|
||||
34000 1.9959594 0.061461733 2.0540945 0.611319 4671.1011
|
||||
35000 1.9843152 0.063438307 2.0444463 0.67227839 4580.8853
|
||||
36000 2.0187362 0.029117024 2.0444886 0.67437268 4451.5952
|
||||
37000 1.9767721 0.064543976 2.0380214 0.75641695 4386.7451
|
||||
38000 2.0054158 0.038665525 2.040739 0.75284861 4340.2087
|
||||
39000 2.0190605 0.028863116 2.0445585 0.72515667 4322.6267
|
||||
40000 1.99241 0.056203851 2.0452932 0.77541878 4240.6248
|
||||
41000 1.9794314 0.06647082 2.0426031 0.91929985 4161.9926
|
||||
42000 2.0137404 0.050868342 2.0612525 0.76319297 4112.588
|
||||
43000 2.0251176 0.041454389 2.0631968 0.8153631 4098.5268
|
||||
44000 1.9931653 0.058795109 2.0486384 0.83341834 4025.7567
|
||||
45000 1.992498 0.059944502 2.0491217 0.9195581 3949.158
|
||||
46000 1.950407 0.087564106 2.0347204 1.0730912 3904.5945
|
||||
47000 1.9829495 0.079781556 2.0594262 0.99133843 3840.5951
|
||||
48000 2.0085408 0.051200913 2.0563942 0.91558928 3817.7264
|
||||
49000 1.9929984 0.063176682 2.0528534 0.97184545 3811.188
|
||||
50000 1.9924895 0.066841874 2.0560106 1.0256436 3768.1172
|
||||
Loop time of 14.0171 on 1 procs for 50000 steps with 900 atoms
|
||||
|
||||
Pair time (%) = 8.39109 (59.8632)
|
||||
Neigh time (%) = 1.62785 (11.6133)
|
||||
Comm time (%) = 0.380158 (2.7121)
|
||||
Outpt time (%) = 0.311819 (2.22456)
|
||||
Other time (%) = 3.3062 (23.5868)
|
||||
|
||||
Nlocal: 900 ave 900 max 900 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Nghost: 506 ave 506 max 506 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Neighs: 6031 ave 6031 max 6031 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 6031
|
||||
Ave neighs/atom = 6.70111
|
||||
Neighbor list builds = 2778
|
||||
Dangerous builds = 0
|
||||
120
examples/colloid/log.colloid.22Jan08.linux.4
Normal file
120
examples/colloid/log.colloid.22Jan08.linux.4
Normal file
@ -0,0 +1,120 @@
|
||||
LAMMPS (22 Jan 2008)
|
||||
# Big colloid particles and small LJ particles
|
||||
|
||||
units lj
|
||||
atom_style atomic
|
||||
dimension 2
|
||||
|
||||
lattice sq 0.01
|
||||
Lattice spacing in x,y,z = 10 10 10
|
||||
region box block 0 30 0 30 -0.5 0.5
|
||||
create_box 2 box
|
||||
Created orthogonal box = (0 0 -5) to (300 300 5)
|
||||
2 by 2 by 1 processor grid
|
||||
create_atoms 1 box
|
||||
Created 900 atoms
|
||||
|
||||
set group all type/fraction 2 0.96 23984
|
||||
861 settings made for type/fraction
|
||||
|
||||
mass 1 9
|
||||
mass 2 1
|
||||
|
||||
velocity all create 1.44 87287 loop geom
|
||||
|
||||
# multi neighbor and comm for efficiency
|
||||
|
||||
neighbor 1 multi
|
||||
neigh_modify delay 0
|
||||
communicate multi
|
||||
|
||||
# colloid potential
|
||||
|
||||
pair_style colloid 12.5
|
||||
pair_coeff 1 1 1.0 1.0 5.0 5.0 12.5
|
||||
pair_coeff 1 2 5.0 1.0 5.0 0.0 7.0
|
||||
pair_coeff 2 2 10.0 1.0 0.0 0.0 2.5
|
||||
|
||||
fix 1 all npt 2.0 2.0 1.0 xyz 0.0 1.0 10.0 drag 1.0
|
||||
fix 2 all enforce2d
|
||||
|
||||
dump 1 all atom 200 dump.colloid
|
||||
|
||||
thermo_style custom step temp epair etotal press vol
|
||||
thermo 1000
|
||||
|
||||
timestep 0.005
|
||||
|
||||
run 50000
|
||||
Memory usage per processor = 1.72729 Mbytes
|
||||
Step Temp E_pair TotEng Press Volume
|
||||
0 1.44 -2.2136534e-06 1.4375978 0.014375923 90000
|
||||
1000 1.7223464 0.00099729506 1.7204731 0.015431199 101039.13
|
||||
2000 1.9986619 0.00075906115 1.9960899 0.018607661 99018.745
|
||||
3000 2.1174664 0.0023215952 2.1162589 0.029169081 68947.872
|
||||
4000 2.0922515 0.0027117962 2.0914762 0.048247413 41709.954
|
||||
5000 2.0457094 -0.0017934811 2.0405064 0.069440615 27252.713
|
||||
6000 2.0094247 -0.0030357089 2.00304 0.095318361 20437.896
|
||||
7000 1.9787517 0.015727213 1.991181 0.12210082 16963.98
|
||||
8000 1.9983 0.0017433401 1.9967129 0.14165341 14903.677
|
||||
9000 1.9927888 0.013406349 2.0028739 0.17008104 13468.549
|
||||
10000 1.99929 0.011927067 2.0078849 0.18343491 12299.949
|
||||
11000 2.0150846 0.00018121827 2.0119074 0.18478179 11314.797
|
||||
12000 2.0039613 0.0083020972 2.0089234 0.22215222 10404.632
|
||||
13000 2.0089431 0.00048942212 2.0060843 0.2159184 9598.2333
|
||||
14000 1.9642202 0.03348398 1.9944305 0.29178119 8913.182
|
||||
15000 1.9865717 0.028923917 2.0121846 0.29202685 8385.9226
|
||||
16000 1.9824603 0.021603392 2.0007596 0.35043111 7979.2443
|
||||
17000 2.0212495 0.0013151574 2.0191959 0.29445176 7613.1843
|
||||
18000 2.00735 0.016693347 2.0206977 0.35537739 7292.1647
|
||||
19000 1.9996379 0.025020058 2.0213252 0.35594894 6980.3692
|
||||
20000 1.99304 0.035528694 2.025247 0.39068018 6690.3555
|
||||
21000 1.9996323 0.017458241 2.0137578 0.39735127 6497.3837
|
||||
22000 1.9949617 0.028866687 2.0205034 0.40527844 6223.7318
|
||||
23000 2.0109325 0.017646321 2.0252272 0.4171507 5971.5878
|
||||
24000 2.0065992 0.020958573 2.0242135 0.44285242 5811.3038
|
||||
25000 2.0162034 0.013608049 2.0264511 0.44820753 5670.6039
|
||||
26000 2.0155947 0.021613098 2.0338484 0.50646486 5560.9474
|
||||
27000 1.9867282 0.061035788 2.0444527 0.52834033 5416.229
|
||||
28000 2.0182277 0.027696843 2.0425608 0.50068529 5248.3423
|
||||
29000 1.9969804 0.025362049 2.0190142 0.62372967 5114.3052
|
||||
30000 1.9919721 0.031513314 2.0201654 0.58566807 5040.2167
|
||||
31000 1.9717581 0.065297706 2.0337695 0.58587707 4925.982
|
||||
32000 2.0031236 0.027941441 2.0277265 0.63718249 4800.1641
|
||||
33000 2.009939 0.035745131 2.0423342 0.5565546 4716.8179
|
||||
34000 2.0133737 0.032514079 2.0425322 0.59840543 4661.2112
|
||||
35000 1.9946613 0.050844465 2.0421813 0.75006325 4544.451
|
||||
36000 2.013397 0.0397056 2.0497469 0.65849841 4483.7497
|
||||
37000 2.0006181 0.037963997 2.0352477 0.77598608 4414.6609
|
||||
38000 1.9575408 0.06996425 2.0242425 0.86318741 4362.8063
|
||||
39000 1.9858721 0.064218347 2.0467806 0.72824697 4313.8724
|
||||
40000 2.0033244 0.046949963 2.0469355 0.71735138 4210.7464
|
||||
41000 1.9841673 0.05811834 2.0389787 0.77792196 4140.5996
|
||||
42000 2.0176912 0.035140169 2.0494686 0.72179939 4106.7454
|
||||
43000 1.9910197 0.055696348 2.0433977 0.78813392 4042.2245
|
||||
44000 1.9684218 0.090017002 2.0551581 0.89775094 3964.1659
|
||||
45000 1.9934298 0.063845821 2.0539532 0.87564355 3943.1864
|
||||
46000 2.0098408 0.043671419 2.0501625 0.9380022 3914.699
|
||||
47000 2.0085323 0.055757448 2.0609422 0.83280289 3838.9374
|
||||
48000 1.9935643 0.064908847 2.0551505 0.9287581 3822.0687
|
||||
49000 2.0102242 0.045686005 2.0525598 0.92639038 3796.1209
|
||||
50000 1.9866234 0.069280947 2.0525933 0.98907678 3713.7478
|
||||
Loop time of 36.2457 on 4 procs for 50000 steps with 900 atoms
|
||||
|
||||
Pair time (%) = 2.46031 (6.78788)
|
||||
Neigh time (%) = 0.449679 (1.24064)
|
||||
Comm time (%) = 19.0279 (52.4971)
|
||||
Outpt time (%) = 0.376391 (1.03844)
|
||||
Other time (%) = 13.9313 (38.4359)
|
||||
|
||||
Nlocal: 225 ave 253 max 182 min
|
||||
Histogram: 1 0 0 0 1 0 0 0 0 2
|
||||
Nghost: 297.5 ave 310 max 275 min
|
||||
Histogram: 1 0 0 0 0 0 1 0 0 2
|
||||
Neighs: 1518.5 ave 1657 max 1246 min
|
||||
Histogram: 1 0 0 0 0 0 1 0 0 2
|
||||
|
||||
Total # of neighbors = 6074
|
||||
Ave neighs/atom = 6.74889
|
||||
Neighbor list builds = 2768
|
||||
Dangerous builds = 0
|
||||
@ -1,120 +0,0 @@
|
||||
LAMMPS (5 Oct 2007)
|
||||
# Big colloid particles and small LJ particles
|
||||
|
||||
units lj
|
||||
atom_style atomic
|
||||
dimension 2
|
||||
|
||||
lattice sq 0.01
|
||||
Lattice spacing in x,y,z = 10 10 10
|
||||
region box block 0 30 0 30 -0.5 0.5
|
||||
create_box 2 box
|
||||
Created orthogonal box = (0 0 -5) to (300 300 5)
|
||||
1 by 1 by 1 processor grid
|
||||
create_atoms 1 box
|
||||
Created 900 atoms
|
||||
|
||||
set group all type/fraction 2 0.96 23984
|
||||
868 settings made for type/fraction
|
||||
|
||||
mass 1 9
|
||||
mass 2 1
|
||||
|
||||
velocity all create 1.44 87287 loop geom
|
||||
|
||||
# multi neighbor and comm for efficiency
|
||||
|
||||
neighbor 1 multi
|
||||
neigh_modify delay 0
|
||||
communicate multi
|
||||
|
||||
# colloid potential
|
||||
|
||||
pair_style colloid 12.5
|
||||
pair_coeff 1 1 1.0 1.0 5.0 5.0 12.5
|
||||
pair_coeff 1 2 5.0 1.0 5.0 0.0 7.0
|
||||
pair_coeff 2 2 10.0 1.0 0.0 0.0 2.5
|
||||
|
||||
fix 1 all npt 2.0 2.0 1.0 xyz 0.0 1.0 10.0 drag 1.0
|
||||
fix 2 all enforce2d
|
||||
|
||||
dump 1 all atom 200 dump.colloid
|
||||
|
||||
thermo_style custom step temp epair etotal press vol
|
||||
thermo 1000
|
||||
|
||||
timestep 0.005
|
||||
|
||||
run 50000
|
||||
Memory usage per processor = 1.50473 Mbytes
|
||||
Step Temp E_pair TotEng Press Volume
|
||||
0 1.44 0 1.4376 0.014376 90000
|
||||
1000 1.7229304 -0.00015669053 1.7199022 0.015318085 100904.47
|
||||
2000 1.9967588 0.0020777128 1.9955085 0.018297171 98746.175
|
||||
3000 2.1202073 0.00084628342 2.1175199 0.028086414 68843.26
|
||||
4000 2.1015115 0.0038976621 2.1019067 0.049667096 41498.626
|
||||
5000 2.0412605 -0.00055303189 2.0373053 0.074449455 27116.088
|
||||
6000 1.9976914 0.0074115979 2.0017735 0.096914589 20386.028
|
||||
7000 1.9983723 0.0036979337 1.9987396 0.11352975 16956.776
|
||||
8000 1.9915215 0.015325051 2.0035274 0.13427318 14870.472
|
||||
9000 2.0013903 0.010272573 2.0083272 0.15672322 13407.529
|
||||
10000 2.0146415 -0.0021407461 2.009143 0.16517555 12233.484
|
||||
11000 1.9916467 0.0061066643 1.994434 0.18129828 11189.037
|
||||
12000 1.98785 0.019810319 2.0043473 0.21980579 10263.222
|
||||
13000 2.0127132 0.0088877002 2.0182464 0.21501025 9491.7009
|
||||
14000 1.9913332 0.027995115 2.0160095 0.29260961 8836.5762
|
||||
15000 2.011823 0.014284134 2.0227541 0.2875531 8274.3305
|
||||
16000 2.0107622 0.011449596 2.0188606 0.30513433 7838.3386
|
||||
17000 1.9980983 0.018919479 2.0136877 0.30831644 7458.3796
|
||||
18000 2.0006615 0.02010257 2.0174296 0.33711019 7101.9718
|
||||
19000 2.0146677 0.018388754 2.0296986 0.38350473 6824.606
|
||||
20000 1.991312 0.042232971 2.0302261 0.40707294 6563.9843
|
||||
21000 2.0208539 0.0094531214 2.0269389 0.39661249 6295.8677
|
||||
22000 1.9909141 0.038902855 2.0264988 0.43460586 6066.4294
|
||||
23000 2.005339 0.024497042 2.0264938 0.42002103 5898.8857
|
||||
24000 1.9812291 0.04602497 2.023952 0.46678213 5730.1522
|
||||
25000 2.0064116 0.030650951 2.0337185 0.478538 5527.8418
|
||||
26000 1.9865132 0.061319527 2.0445218 0.52290425 5355.6377
|
||||
27000 2.0013895 0.038637962 2.0366918 0.52759689 5227.2617
|
||||
28000 1.9940928 0.037916944 2.0286863 0.52180257 5100.6314
|
||||
29000 1.9946357 0.036831074 2.0281424 0.56925044 4943.6745
|
||||
30000 1.9919808 0.033232657 2.0218935 0.6555772 4803.268
|
||||
31000 1.9532441 0.074836486 2.0248252 0.61929321 4736.9445
|
||||
32000 2.0194145 0.02267509 2.0387239 0.59196318 4676.905
|
||||
33000 1.9982419 0.037190451 2.0321019 0.61844932 4593.3009
|
||||
34000 2.0105117 0.033623411 2.0407843 0.63550924 4489.0435
|
||||
35000 2.0088788 0.044076555 2.0496073 0.68122455 4369.1336
|
||||
36000 1.9986335 0.05798169 2.0532841 0.72126511 4278.5347
|
||||
37000 1.9817447 0.076628479 2.0550703 0.82568475 4228.7256
|
||||
38000 2.0355107 0.03663577 2.068754 0.69994646 4168.2216
|
||||
39000 1.9813989 0.077642991 2.0557395 0.74712271 4108.7097
|
||||
40000 2.02985 0.018054949 2.0445219 0.73244199 4053.749
|
||||
41000 1.9980839 0.041648523 2.0364022 0.8918399 4003.826
|
||||
42000 1.9957137 0.061952166 2.0543397 0.82718027 3922.9382
|
||||
43000 2.0095254 0.043542722 2.0497189 0.86824556 3858.6497
|
||||
44000 1.9897663 0.061999495 2.0484495 0.78993338 3806.2668
|
||||
45000 1.9877427 0.072335929 2.0567657 0.85855742 3762.6739
|
||||
46000 2.013597 0.05214842 2.0623894 0.87845503 3735.9028
|
||||
47000 1.9939167 0.0648104 2.0554039 0.82658529 3706.4343
|
||||
48000 2.0205894 0.045267254 2.062489 0.87730466 3658.3005
|
||||
49000 1.9641292 0.088922667 2.0497783 0.98253029 3582.148
|
||||
50000 2.0000443 0.059295597 2.0560065 0.96488274 3540.7444
|
||||
Loop time of 13.4223 on 1 procs for 50000 steps with 900 atoms
|
||||
|
||||
Pair time (%) = 7.80901 (58.1795)
|
||||
Neigh time (%) = 1.61124 (12.0042)
|
||||
Comm time (%) = 0.398404 (2.96823)
|
||||
Outpt time (%) = 0.316924 (2.36118)
|
||||
Other time (%) = 3.28671 (24.4869)
|
||||
|
||||
Nlocal: 900 ave 900 max 900 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Nghost: 559 ave 559 max 559 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Neighs: 6061 ave 6061 max 6061 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 6061
|
||||
Ave neighs/atom = 6.73444
|
||||
Neighbor list builds = 2793
|
||||
Dangerous builds = 0
|
||||
@ -1,120 +0,0 @@
|
||||
LAMMPS (5 Oct 2007)
|
||||
# Big colloid particles and small LJ particles
|
||||
|
||||
units lj
|
||||
atom_style atomic
|
||||
dimension 2
|
||||
|
||||
lattice sq 0.01
|
||||
Lattice spacing in x,y,z = 10 10 10
|
||||
region box block 0 30 0 30 -0.5 0.5
|
||||
create_box 2 box
|
||||
Created orthogonal box = (0 0 -5) to (300 300 5)
|
||||
2 by 2 by 1 processor grid
|
||||
create_atoms 1 box
|
||||
Created 900 atoms
|
||||
|
||||
set group all type/fraction 2 0.96 23984
|
||||
868 settings made for type/fraction
|
||||
|
||||
mass 1 9
|
||||
mass 2 1
|
||||
|
||||
velocity all create 1.44 87287 loop geom
|
||||
|
||||
# multi neighbor and comm for efficiency
|
||||
|
||||
neighbor 1 multi
|
||||
neigh_modify delay 0
|
||||
communicate multi
|
||||
|
||||
# colloid potential
|
||||
|
||||
pair_style colloid 12.5
|
||||
pair_coeff 1 1 1.0 1.0 5.0 5.0 12.5
|
||||
pair_coeff 1 2 5.0 1.0 5.0 0.0 7.0
|
||||
pair_coeff 2 2 10.0 1.0 0.0 0.0 2.5
|
||||
|
||||
fix 1 all npt 2.0 2.0 1.0 xyz 0.0 1.0 10.0 drag 1.0
|
||||
fix 2 all enforce2d
|
||||
|
||||
dump 1 all atom 200 dump.colloid
|
||||
|
||||
thermo_style custom step temp epair etotal press vol
|
||||
thermo 1000
|
||||
|
||||
timestep 0.005
|
||||
|
||||
run 50000
|
||||
Memory usage per processor = 1.38397 Mbytes
|
||||
Step Temp E_pair TotEng Press Volume
|
||||
0 1.44 0 1.4376 0.014376 90000
|
||||
1000 1.7229304 -0.00015669053 1.7199022 0.015318085 100904.47
|
||||
2000 1.9967588 0.0020777128 1.9955085 0.018297171 98746.175
|
||||
3000 2.1202073 0.00084628342 2.1175199 0.028086414 68843.26
|
||||
4000 2.1015115 0.0038976621 2.1019067 0.049667096 41498.626
|
||||
5000 2.0412605 -0.00055303273 2.0373053 0.074449455 27116.088
|
||||
6000 1.9976923 0.0074104772 2.0017732 0.096914266 20386.029
|
||||
7000 1.9985387 0.0036033736 1.9988111 0.1134532 16956.875
|
||||
8000 1.9968131 0.0066191941 2.0001043 0.13936849 14856.781
|
||||
9000 2.0116478 0.0091279265 2.017423 0.14943756 13350.258
|
||||
10000 1.995529 0.021846474 2.0140496 0.1797053 12161.967
|
||||
11000 2.0007913 0.0083610476 2.0058177 0.19355061 11180.478
|
||||
12000 1.9990215 0.012442077 2.0081319 0.21432955 10258.03
|
||||
13000 2.0119162 0.0097697341 2.0183328 0.24344379 9488.4097
|
||||
14000 2.0071517 0.01123161 2.015038 0.26617291 8851.9854
|
||||
15000 2.0164599 0.0043535711 2.0174527 0.26327727 8337.1228
|
||||
16000 1.9939211 0.018284721 2.0088826 0.28639791 7868.2338
|
||||
17000 1.9994696 0.0139029 2.01004 0.31146407 7435.9099
|
||||
18000 2.0105768 0.022014389 2.0292402 0.37565593 7107.63
|
||||
19000 2.0241137 0.017983125 2.0387233 0.35000991 6845.2682
|
||||
20000 2.0027231 0.025233952 2.0246191 0.41714655 6588.2364
|
||||
21000 2.0139047 0.015929062 2.0264773 0.39101346 6322.3272
|
||||
22000 2.0188343 0.019474932 2.0349445 0.40689058 6067.8792
|
||||
23000 1.9968998 0.017049306 2.0106209 0.42441698 5885.9917
|
||||
24000 1.9913995 0.022023169 2.0101037 0.49276546 5713.8287
|
||||
25000 2.0282271 0.0010811866 2.0259279 0.43846627 5535.1617
|
||||
26000 1.99007 0.037451308 2.0242046 0.51153606 5374.4974
|
||||
27000 2.0032103 0.02793327 2.0278049 0.53287006 5246.9824
|
||||
28000 2.0012016 0.031183734 2.02905 0.49026667 5103.936
|
||||
29000 1.9921192 0.033101665 2.0219007 0.56679853 4945.3262
|
||||
30000 2.0112942 0.028974887 2.0369169 0.59607886 4811.7925
|
||||
31000 2.0068077 0.033866848 2.0373299 0.57936336 4720.1126
|
||||
32000 1.9796234 0.062198621 2.0385226 0.66287681 4636.0262
|
||||
33000 2.0008592 0.037115927 2.0346403 0.64171308 4542.6751
|
||||
34000 2.0312988 0.019280094 2.0471934 0.60599935 4444.4538
|
||||
35000 1.998235 0.048493255 2.0433979 0.69883437 4366.7212
|
||||
36000 2.0108358 0.036898896 2.0443833 0.8189753 4304.603
|
||||
37000 2.0193723 0.035454333 2.051461 0.71428244 4229.3292
|
||||
38000 1.9977656 0.053908975 2.048345 0.74599208 4168.8054
|
||||
39000 1.9910258 0.053411944 2.0411194 1.0020227 4135.5413
|
||||
40000 2.0068958 0.062820555 2.0663716 0.7380476 4077.369
|
||||
41000 2.0151378 0.044268277 2.0560475 0.7815389 3971.5744
|
||||
42000 1.9899084 0.06823508 2.054827 0.88353238 3899.603
|
||||
43000 1.995483 0.054557002 2.0467142 0.87798264 3861.8059
|
||||
44000 1.9672099 0.065595401 2.0295266 1.0402091 3811.7046
|
||||
45000 1.991365 0.046768622 2.0348147 0.86054084 3788.9404
|
||||
46000 1.9565876 0.079004276 2.0323309 1.0350984 3725.8947
|
||||
47000 2.0092594 0.057752764 2.0636634 0.83469987 3652.7366
|
||||
48000 2.014792 0.046218596 2.0576526 0.9098087 3628.3485
|
||||
49000 2.0035173 0.065852566 2.0660307 0.94870248 3574.256
|
||||
50000 2.0196028 0.065457163 2.0816939 0.92720759 3546.5336
|
||||
Loop time of 31.5797 on 4 procs for 50000 steps with 900 atoms
|
||||
|
||||
Pair time (%) = 2.09001 (6.61822)
|
||||
Neigh time (%) = 0.416893 (1.32013)
|
||||
Comm time (%) = 16.7082 (52.9078)
|
||||
Outpt time (%) = 0.340365 (1.0778)
|
||||
Other time (%) = 12.0243 (38.076)
|
||||
|
||||
Nlocal: 225 ave 241 max 214 min
|
||||
Histogram: 1 1 0 0 1 0 0 0 0 1
|
||||
Nghost: 320 ave 340 max 303 min
|
||||
Histogram: 1 0 0 1 1 0 0 0 0 1
|
||||
Neighs: 1494 ave 1550 max 1375 min
|
||||
Histogram: 1 0 0 0 0 0 0 1 0 2
|
||||
|
||||
Total # of neighbors = 5976
|
||||
Ave neighs/atom = 6.64
|
||||
Neighbor list builds = 2762
|
||||
Dangerous builds = 0
|
||||
Reference in New Issue
Block a user