git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1839 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
120
examples/colloid/log.colloid.21May08.linux.1
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120
examples/colloid/log.colloid.21May08.linux.1
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@ -0,0 +1,120 @@
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||||
LAMMPS (21 May 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)
|
||||
1 by 1 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 = 1.84805 Mbytes
|
||||
Step Temp E_pair TotEng Press Volume
|
||||
0 1.44 -2.2136534e-06 1.4383978 0.014383923 90000
|
||||
1000 1.7223559 0.00098929183 1.7214314 0.015437595 101049.21
|
||||
2000 1.9986757 0.00075885378 1.9972138 0.018605636 99044.305
|
||||
3000 2.117844 0.0022972154 2.1177881 0.0290761 68969.85
|
||||
4000 2.0898816 0.0057833635 2.0933428 0.047715809 41724.713
|
||||
5000 2.0439342 4.9494163e-05 2.0417126 0.068595136 27281.204
|
||||
6000 2.0064511 0.0044083308 2.0086301 0.099885102 20425.198
|
||||
7000 2.0093135 0.00030033275 2.0073813 0.1121452 16950.524
|
||||
8000 1.9916421 0.007621323 1.9970505 0.13964337 14953.142
|
||||
9000 1.9903947 0.01453264 2.0027158 0.15594249 13489.913
|
||||
10000 1.9988985 0.0052414174 2.0019189 0.17202156 12266.498
|
||||
11000 2.00691 0.01129961 2.0159797 0.1963436 11187.939
|
||||
12000 2.023487 0.002118289 2.023357 0.19929988 10338.246
|
||||
13000 1.9848513 0.023120894 2.0057668 0.27040057 9647.688
|
||||
14000 2.0010828 0.016195647 2.0150551 0.23608408 9076.0171
|
||||
15000 1.9851734 0.02269988 2.0056676 0.30152394 8550.0935
|
||||
16000 1.9911017 0.024538799 2.0134282 0.29719998 8065.2116
|
||||
17000 2.0092834 0.013074179 2.020125 0.33224922 7611.4535
|
||||
18000 2.0039464 0.015002702 2.0167225 0.34918313 7266.7936
|
||||
19000 2.0019869 0.030678635 2.0304411 0.35155001 6969.7731
|
||||
20000 2.0248332 0.023656323 2.0462397 0.35430625 6665.3958
|
||||
21000 2.0260129 0.011469083 2.0352308 0.37670894 6451.5167
|
||||
22000 1.9932271 0.02944517 2.0204576 0.44088832 6286.6382
|
||||
23000 1.9979731 0.022604615 2.0183578 0.40240249 6093.5172
|
||||
24000 2.0256254 0.014021814 2.0373965 0.43187961 5869.4093
|
||||
25000 1.9843937 0.046591133 2.0287799 0.44796375 5709.9348
|
||||
26000 2.0101586 0.017301084 2.0252262 0.51214936 5534.8985
|
||||
27000 1.9887979 0.042607087 2.0291953 0.5364801 5383.6677
|
||||
28000 2.0273894 0.010574688 2.0357114 0.53575221 5277.3504
|
||||
29000 2.0114853 0.026487843 2.0357382 0.5019495 5183.9253
|
||||
30000 1.9850719 0.036881749 2.019748 0.6029796 5083.5559
|
||||
31000 1.9896683 0.035584301 2.0230419 0.63219014 4941.787
|
||||
32000 1.9931863 0.045315686 2.0362874 0.59040131 4851.7745
|
||||
33000 1.9857406 0.047506524 2.0310408 0.67712512 4778.4773
|
||||
34000 1.9868172 0.057482705 2.0420923 0.71724066 4683.1331
|
||||
35000 2.0166361 0.039653294 2.0540487 0.65881549 4607.7207
|
||||
36000 1.9947118 0.057664381 2.0501599 0.73270964 4500.9296
|
||||
37000 2.0026862 0.056070861 2.0565318 0.75439865 4419.1699
|
||||
38000 2.0029796 0.058127694 2.0588818 0.75965407 4349.8826
|
||||
39000 2.0123422 0.051811215 2.0619175 0.73967495 4280.3846
|
||||
40000 1.979341 0.064620417 2.0417622 0.91817043 4210.1251
|
||||
41000 1.9987965 0.048789657 2.0453653 0.77100684 4156.1718
|
||||
42000 1.9941581 0.053682864 2.0456253 0.81849452 4093.031
|
||||
43000 2.0170196 0.047788852 2.0625674 0.80410205 4049.9079
|
||||
44000 2.0256856 0.039232233 2.062667 0.75599759 4004.6084
|
||||
45000 1.9948188 0.046497265 2.0390996 0.94849943 3947.7148
|
||||
46000 1.985315 0.080755658 2.0638648 0.88383148 3925.0434
|
||||
47000 2.0102018 0.055513279 2.0634815 0.89218971 3877.3667
|
||||
48000 1.9836965 0.073263577 2.054756 1.0335461 3819.6995
|
||||
49000 2.016596 0.049424893 2.0637802 0.89744695 3789.3397
|
||||
50000 2.0091046 0.054246496 2.0611188 0.97651208 3721.2095
|
||||
Loop time of 14.0034 on 1 procs for 50000 steps with 900 atoms
|
||||
|
||||
Pair time (%) = 8.39301 (59.9356)
|
||||
Neigh time (%) = 1.62176 (11.5812)
|
||||
Comm time (%) = 0.390372 (2.7877)
|
||||
Outpt time (%) = 0.311517 (2.22459)
|
||||
Other time (%) = 3.28672 (23.4709)
|
||||
|
||||
Nlocal: 900 ave 900 max 900 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Nghost: 574 ave 574 max 574 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Neighs: 6018 ave 6018 max 6018 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 6018
|
||||
Ave neighs/atom = 6.68667
|
||||
Neighbor list builds = 2802
|
||||
Dangerous builds = 0
|
||||
120
examples/colloid/log.colloid.21May08.linux.4
Normal file
120
examples/colloid/log.colloid.21May08.linux.4
Normal file
@ -0,0 +1,120 @@
|
||||
LAMMPS (21 May 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 1.4383978 0.014383923 90000
|
||||
1000 1.7223559 0.00098929183 1.7214314 0.015437595 101049.21
|
||||
2000 1.9986757 0.00075885378 1.9972138 0.018605636 99044.305
|
||||
3000 2.117844 0.0022972154 2.1177881 0.0290761 68969.85
|
||||
4000 2.0898816 0.0057833635 2.0933428 0.047715809 41724.713
|
||||
5000 2.0439342 4.9493696e-05 2.0417126 0.068595137 27281.204
|
||||
6000 2.0064128 0.0044188137 2.0086023 0.099926529 20425.195
|
||||
7000 2.009238 0.00046917886 2.0074747 0.11213609 16950.59
|
||||
8000 1.9949838 0.0052143802 1.9979815 0.1425616 14958.04
|
||||
9000 2.0011383 0.0069562003 2.005871 0.14834553 13504.001
|
||||
10000 1.979696 0.02095102 1.9984473 0.19710313 12322.476
|
||||
11000 1.9924355 0.020996961 2.0112186 0.19380381 11317.61
|
||||
12000 2.0174806 0.0045044349 2.0197434 0.19561004 10406.802
|
||||
13000 2.0141962 0.012098292 2.0240564 0.23000265 9574.4324
|
||||
14000 2.0117821 0.011995258 2.0215421 0.24369426 8941.3844
|
||||
15000 2.0145336 0.0075091224 2.0198044 0.27014029 8427.7465
|
||||
16000 1.9951071 0.016297672 2.009188 0.29810761 8032.5886
|
||||
17000 1.9873425 0.017851879 2.0029862 0.37277713 7672.305
|
||||
18000 2.0113338 0.011550523 2.0206495 0.31040003 7349.9335
|
||||
19000 2.0042474 0.021677746 2.0236982 0.34923741 7038.9595
|
||||
20000 2.0132671 0.01770125 2.0287314 0.34219638 6788.2687
|
||||
21000 1.9990052 0.025514077 2.0222981 0.41034791 6511.8494
|
||||
22000 1.9920265 0.034234411 2.0240476 0.447435 6265.757
|
||||
23000 1.9785405 0.033612536 2.0099547 0.48855923 6083.2627
|
||||
24000 2.0072694 0.020012143 2.0250513 0.42997092 5921.4392
|
||||
25000 1.9999409 0.025903294 2.023622 0.48047026 5734.6208
|
||||
26000 1.9957819 0.025572875 2.0191372 0.51207606 5567.496
|
||||
27000 2.0045855 0.021594009 2.0239522 0.55039179 5429.0002
|
||||
28000 2.0095018 0.031277686 2.0385467 0.53154624 5292.7192
|
||||
29000 1.9973043 0.031158435 2.0262435 0.66732668 5135.6507
|
||||
30000 2.0052408 0.043659151 2.0466719 0.54053464 5006.0454
|
||||
31000 2.0054687 0.028869471 2.0321099 0.6486529 4917.9379
|
||||
32000 2.0014648 0.039097706 2.0383386 0.63590098 4830.9602
|
||||
33000 2.0109706 0.027207161 2.0359434 0.62127582 4737.6015
|
||||
34000 1.9926472 0.053463886 2.043897 0.70086128 4628.5249
|
||||
35000 2.0042786 0.043819947 2.0458716 0.70552776 4561.5216
|
||||
36000 2.0055993 0.032340095 2.035711 0.7089785 4483.1738
|
||||
37000 1.9884127 0.059230504 2.0454339 0.81716796 4421.5811
|
||||
38000 2.0051674 0.045925715 2.0488651 0.7107607 4384.2193
|
||||
39000 1.985589 0.050501548 2.0338844 0.85566246 4298.1153
|
||||
40000 1.9893789 0.06330525 2.0504737 0.80004664 4229.6943
|
||||
41000 2.0113301 0.036227311 2.0453226 0.87163382 4148.2176
|
||||
42000 1.9889787 0.05762879 2.0443975 0.76189797 4150.7988
|
||||
43000 2.0165757 0.042412435 2.0567475 0.7515161 4110.7711
|
||||
44000 2.0115095 0.047339399 2.0566139 0.80198372 4004.5573
|
||||
45000 2.0097681 0.061366139 2.0689011 0.84636277 3915.4567
|
||||
46000 1.9952706 0.065316805 2.0583704 0.84815375 3888.9886
|
||||
47000 2.0295555 0.04141762 2.0687181 0.85366092 3877.8183
|
||||
48000 2.0043454 0.064491592 2.0666099 0.93867902 3831.6649
|
||||
49000 1.995415 0.078541445 2.0717394 0.86534452 3757.6528
|
||||
50000 2.0184848 0.052970859 2.0692129 1.1246952 3732.4184
|
||||
Loop time of 30.607 on 4 procs for 50000 steps with 900 atoms
|
||||
|
||||
Pair time (%) = 2.29298 (7.49168)
|
||||
Neigh time (%) = 0.420455 (1.37372)
|
||||
Comm time (%) = 15.7757 (51.5429)
|
||||
Outpt time (%) = 0.357466 (1.16792)
|
||||
Other time (%) = 11.7603 (38.4238)
|
||||
|
||||
Nlocal: 225 ave 243 max 213 min
|
||||
Histogram: 1 1 0 0 1 0 0 0 0 1
|
||||
Nghost: 321.5 ave 334 max 315 min
|
||||
Histogram: 1 1 1 0 0 0 0 0 0 1
|
||||
Neighs: 1507.5 ave 1590 max 1436 min
|
||||
Histogram: 1 1 0 0 0 0 1 0 0 1
|
||||
|
||||
Total # of neighbors = 6030
|
||||
Ave neighs/atom = 6.7
|
||||
Neighbor list builds = 2800
|
||||
Dangerous builds = 0
|
||||
@ -1,120 +0,0 @@
|
||||
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)
|
||||
1 by 1 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 = 1.84805 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 -0.0017934808 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
|
||||
@ -1,120 +0,0 @@
|
||||
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
|
||||
Reference in New Issue
Block a user