git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3691 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
120
examples/colloid/log.colloid.15Jan10.linux.1
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120
examples/colloid/log.colloid.15Jan10.linux.1
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@ -0,0 +1,120 @@
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||||
LAMMPS (15 Jan 2010)
|
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# Big colloid particles and small LJ particles
|
||||
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||||
units lj
|
||||
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)
|
||||
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
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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
|
||||
|
||||
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 1.4383978 0.014383923 90000
|
||||
1000 1.7234872 0.00099573088 1.722568 0.015516409 101033.02
|
||||
2000 1.9974361 0.0027373053 1.9979541 0.018869215 99044.293
|
||||
3000 2.116115 0.0064857798 2.1202495 0.029970575 68999.265
|
||||
4000 2.0978894 0.0081401736 2.1036985 0.049192217 41664.559
|
||||
5000 2.0428684 -0.00010722124 2.0404914 0.069391752 27239.613
|
||||
6000 2.0019359 0.0031628998 2.0028745 0.094013179 20369.423
|
||||
7000 1.9859909 0.0083584854 1.9921427 0.11907545 16950.719
|
||||
8000 1.9844995 0.018823846 2.0011183 0.15140382 14935.157
|
||||
9000 2.0136412 0.0025888284 2.0139927 0.1508535 13559.132
|
||||
10000 2.024979 -0.0013617278 2.0213673 0.15704325 12420.294
|
||||
11000 2.0057261 0.014666062 2.0181636 0.19581308 11367.173
|
||||
12000 1.9956708 0.027177644 2.0206311 0.21321459 10459.36
|
||||
13000 1.997959 0.021344943 2.0170839 0.22767396 9688.7235
|
||||
14000 2.0053139 0.018752845 2.0218386 0.23937083 9035.5752
|
||||
15000 2.0080175 0.016121788 2.0219082 0.27453929 8472.6599
|
||||
16000 2.0134958 0.017190654 2.0284492 0.29545011 8018.8828
|
||||
17000 1.9948094 0.030593329 2.0231862 0.31639324 7660.0205
|
||||
18000 1.9888692 0.03866718 2.0253265 0.37624499 7343.9859
|
||||
19000 2.0178864 0.015784628 2.0314289 0.36208151 7023.858
|
||||
20000 1.9974336 0.034034531 2.0292487 0.36977001 6766.9639
|
||||
21000 2.0075467 0.027457169 2.0327733 0.39171127 6515.3658
|
||||
22000 1.9776525 0.056409217 2.0318644 0.45665965 6308.0579
|
||||
23000 1.9868859 0.05125969 2.035938 0.45997816 6086.0284
|
||||
24000 2.025575 0.024864929 2.0481893 0.4614688 5877.2914
|
||||
25000 2.0229719 0.02993936 2.0506635 0.43975465 5678.5742
|
||||
26000 2.0116839 0.040441814 2.0498905 0.56364223 5510.9392
|
||||
27000 1.9927671 0.056780401 2.0473333 0.5435277 5418.0519
|
||||
28000 2.0002455 0.048430948 2.0464539 0.54245177 5293.9817
|
||||
29000 2.0027552 0.045188838 2.0457187 0.59393189 5149.2915
|
||||
30000 2.0110981 0.04212224 2.0509858 0.53983977 5024.1603
|
||||
31000 2.0103074 0.040614839 2.0486886 0.59127674 4968.3476
|
||||
32000 2.0131878 0.034850997 2.0458019 0.54445776 4887.6392
|
||||
33000 1.9795396 0.06888144 2.0462216 0.65710066 4759.8655
|
||||
34000 2.0089206 0.044451973 2.0511405 0.61216346 4649.6158
|
||||
35000 1.9852871 0.070975603 2.0540568 0.67074703 4575.8914
|
||||
36000 1.9955339 0.069823373 2.06314 0.6720079 4498.8166
|
||||
37000 2.0204607 0.039300432 2.0575161 0.60707297 4445.1332
|
||||
38000 2.0066321 0.049640648 2.0540432 0.67871134 4366.3923
|
||||
39000 1.9985924 0.072532872 2.0689046 0.77767565 4275.8245
|
||||
40000 1.9910609 0.092339589 2.0811882 0.87608554 4203.2838
|
||||
41000 1.9860042 0.10022021 2.0840177 0.86512783 4157.403
|
||||
42000 2.0155072 0.068809689 2.0820775 0.80227153 4104.6347
|
||||
43000 1.9766433 0.098409454 2.0728565 0.90326816 4041.9332
|
||||
44000 1.9849649 0.075124531 2.0578839 0.90303861 3977.2148
|
||||
45000 2.016926 0.053835025 2.06852 0.93357872 3939.6486
|
||||
46000 2.0139764 0.062641204 2.0743798 0.92342056 3885.512
|
||||
47000 2.00577 0.07951429 2.0830556 0.91383738 3864.1237
|
||||
48000 2.0129787 0.091650954 2.102393 0.87567088 3815.2512
|
||||
49000 2.0113794 0.085651277 2.0947959 0.8792936 3790.0177
|
||||
50000 2.0081683 0.088519221 2.0944563 0.96671733 3739.3343
|
||||
Loop time of 12.9281 on 1 procs for 50000 steps with 900 atoms
|
||||
|
||||
Pair time (%) = 7.46432 (57.7373)
|
||||
Neigh time (%) = 1.48375 (11.477)
|
||||
Comm time (%) = 0.328302 (2.53945)
|
||||
Outpt time (%) = 0.343754 (2.65898)
|
||||
Other time (%) = 3.30794 (25.5873)
|
||||
|
||||
Nlocal: 900 ave 900 max 900 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Nghost: 604 ave 604 max 604 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Neighs: 6045 ave 6045 max 6045 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 6045
|
||||
Ave neighs/atom = 6.71667
|
||||
Neighbor list builds = 2774
|
||||
Dangerous builds = 0
|
||||
120
examples/colloid/log.colloid.15Jan10.linux.4
Normal file
120
examples/colloid/log.colloid.15Jan10.linux.4
Normal file
@ -0,0 +1,120 @@
|
||||
LAMMPS (15 Jan 2010)
|
||||
# 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 1.7234872 0.00099573088 1.722568 0.015516409 101033.02
|
||||
2000 1.9974361 0.0027373053 1.9979541 0.018869215 99044.293
|
||||
3000 2.116115 0.0064857798 2.1202495 0.029970575 68999.265
|
||||
4000 2.0978894 0.0081401738 2.1036985 0.049192217 41664.559
|
||||
5000 2.0428684 -0.00010721686 2.0404914 0.069391753 27239.613
|
||||
6000 2.0019422 0.0031508864 2.0028687 0.094008052 20369.42
|
||||
7000 1.9804962 0.014232286 1.9925279 0.1213326 16950.471
|
||||
8000 1.9799939 0.02110424 1.9988982 0.14355161 14946.998
|
||||
9000 2.0086754 0.0075582088 2.0140018 0.15413456 13541.773
|
||||
10000 2.0111846 0.014837261 2.0237872 0.17815644 12376.563
|
||||
11000 2.0009867 0.023585324 2.0223487 0.18476862 11349.094
|
||||
12000 2.0081888 0.021042968 2.0270005 0.20805315 10413.786
|
||||
13000 2.0073242 0.022660628 2.0277545 0.2618024 9580.8617
|
||||
14000 2.0132995 0.011098412 2.0221609 0.24241844 8955.2796
|
||||
15000 1.9935123 0.027506763 2.018804 0.28347963 8481.1002
|
||||
16000 2.0138701 0.010098081 2.0217306 0.27116735 8101.8048
|
||||
17000 1.9961144 0.032341929 2.0262384 0.35173752 7726.2016
|
||||
18000 2.0062141 0.017727613 2.0217126 0.31815455 7335.2691
|
||||
19000 1.9722426 0.049842571 2.0198938 0.38305016 7017.8694
|
||||
20000 2.0105249 0.025718126 2.0340091 0.39144988 6741.2107
|
||||
21000 2.0202359 0.021844017 2.0398352 0.37267453 6490.7505
|
||||
22000 2.0170475 0.027363384 2.0421698 0.3980519 6260.4648
|
||||
23000 2.0002266 0.044664532 2.0426686 0.46416007 6036.0867
|
||||
24000 2.0244857 0.018602855 2.0408391 0.44083256 5860.8857
|
||||
25000 2.0155484 0.026604773 2.0399137 0.45089025 5705.4285
|
||||
26000 2.0042083 0.038741004 2.0407225 0.50867855 5561.0521
|
||||
27000 1.9890793 0.0499586 2.0368278 0.50693757 5431.3526
|
||||
28000 2.0218464 0.03042568 2.0500256 0.50915338 5263.3705
|
||||
29000 1.9873046 0.070059134 2.0551556 0.61561587 5138.5563
|
||||
30000 2.0292021 0.023123832 2.0500712 0.56287385 5021.227
|
||||
31000 1.9989274 0.056386862 2.0530932 0.62191836 4892.4219
|
||||
32000 1.9785651 0.069403334 2.04577 0.6742955 4820.7949
|
||||
33000 1.9876977 0.072553911 2.0580431 0.70765298 4749.2349
|
||||
34000 1.9947836 0.07320354 2.0657708 0.70095294 4667.4497
|
||||
35000 2.0136399 0.058792128 2.0701947 0.70766639 4572.4829
|
||||
36000 2.0168328 0.054366679 2.0689586 0.72746701 4465.383
|
||||
37000 2.0156725 0.058393266 2.0718261 0.67356394 4423.8328
|
||||
38000 2.0069983 0.063326137 2.0680945 0.69973651 4367.1573
|
||||
39000 1.9848816 0.069121229 2.0517974 0.8203791 4284.988
|
||||
40000 2.0023359 0.060995146 2.0611062 0.79316005 4178.2125
|
||||
41000 1.993631 0.070869533 2.0622854 0.83534613 4125.4539
|
||||
42000 1.9734126 0.092315085 2.063535 0.90817003 4122.7493
|
||||
43000 1.9855237 0.090960071 2.0742776 0.85735304 4071.5294
|
||||
44000 2.0136311 0.069947968 2.0813417 0.84905758 3994.5619
|
||||
45000 2.0118382 0.068803927 2.0784067 0.80982528 3931.1881
|
||||
46000 2.0567836 0.034733386 2.0892317 0.82276486 3901.416
|
||||
47000 1.990275 0.091141439 2.079205 0.9321676 3851.0061
|
||||
48000 2.0059895 0.081535957 2.0852966 0.8686178 3826.0905
|
||||
49000 2.0276188 0.060350089 2.085716 0.89407727 3786.439
|
||||
50000 2.0129898 0.0842833 2.0950365 0.98615893 3740.8972
|
||||
Loop time of 28.5106 on 4 procs for 50000 steps with 900 atoms
|
||||
|
||||
Pair time (%) = 2.29112 (8.03604)
|
||||
Neigh time (%) = 0.42835 (1.50242)
|
||||
Comm time (%) = 14.4108 (50.5454)
|
||||
Outpt time (%) = 0.368388 (1.29211)
|
||||
Other time (%) = 11.0119 (38.624)
|
||||
|
||||
Nlocal: 225 ave 245 max 205 min
|
||||
Histogram: 1 1 0 0 0 0 0 0 1 1
|
||||
Nghost: 310.5 ave 320 max 292 min
|
||||
Histogram: 1 0 0 0 0 0 0 1 0 2
|
||||
Neighs: 1501 ave 1612 max 1344 min
|
||||
Histogram: 1 0 0 0 0 1 0 0 1 1
|
||||
|
||||
Total # of neighbors = 6004
|
||||
Ave neighs/atom = 6.67111
|
||||
Neighbor list builds = 2778
|
||||
Dangerous builds = 0
|
||||
@ -1,120 +0,0 @@
|
||||
LAMMPS (7 Jul 2009)
|
||||
# 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 1.7234872 0.00099573088 1.722568 0.015516409 101033.02
|
||||
2000 1.9974361 0.0027373053 1.9979541 0.018869215 99044.293
|
||||
3000 2.116115 0.0064857798 2.1202495 0.029970575 68999.265
|
||||
4000 2.0978894 0.0081401736 2.1036985 0.049192217 41664.559
|
||||
5000 2.0428684 -0.00010722124 2.0404914 0.069391752 27239.613
|
||||
6000 2.0019359 0.0031629011 2.0028745 0.094013179 20369.423
|
||||
7000 1.9859909 0.0083584339 1.9921427 0.11907542 16950.719
|
||||
8000 1.9832826 0.019951056 2.00103 0.15009141 14934.808
|
||||
9000 2.007585 0.0072375678 2.012592 0.14953527 13558.338
|
||||
10000 2.0259435 0.0016337814 2.0253262 0.15637743 12401.031
|
||||
11000 2.0105051 0.014904466 2.0231757 0.19705414 11328.74
|
||||
12000 2.0093272 0.0070162508 2.0141109 0.20057013 10443.614
|
||||
13000 2.0172025 0.0044248294 2.019386 0.21618275 9663.6577
|
||||
14000 1.9885379 0.035054758 2.0213832 0.27344 9045.3635
|
||||
15000 1.998542 0.032944317 2.0292657 0.2882141 8531.3574
|
||||
16000 2.0270967 0.010374314 2.0352187 0.28692376 8063.0829
|
||||
17000 2.0087212 0.019376821 2.0258661 0.29693187 7715.1446
|
||||
18000 2.0095494 0.017859203 2.0251758 0.32216506 7309.0033
|
||||
19000 2.0006512 0.029832513 2.0282608 0.34920287 6963.1205
|
||||
20000 1.9965962 0.039618087 2.0339959 0.3770502 6702.7378
|
||||
21000 1.9980353 0.042083707 2.037899 0.39610541 6492.7199
|
||||
22000 2.0224195 0.018472461 2.0386448 0.39700798 6267.6418
|
||||
23000 2.0048375 0.034993203 2.0376031 0.46759268 6041.2459
|
||||
24000 1.9910883 0.049603243 2.0384792 0.51773615 5822.59
|
||||
25000 2.0126414 0.039074684 2.0494798 0.47641523 5662.4045
|
||||
26000 2.0242174 0.029277444 2.0512457 0.47905687 5549.7868
|
||||
27000 1.9950956 0.052523414 2.0454023 0.53068138 5421.5395
|
||||
28000 1.981477 0.058076755 2.0373521 0.53959851 5275.8228
|
||||
29000 2.0024747 0.038320732 2.0385705 0.52224452 5134.06
|
||||
30000 2.0007792 0.047760615 2.0463167 0.63145756 5036.1307
|
||||
31000 2.0019036 0.055940559 2.0556198 0.59651016 4926.361
|
||||
32000 1.9934484 0.060276128 2.0515096 0.64266026 4830.4621
|
||||
33000 1.9908726 0.063870788 2.0525313 0.69586484 4739.2709
|
||||
34000 2.0073498 0.053511449 2.0586308 0.6149679 4675.1487
|
||||
35000 2.0303562 0.03519066 2.0632909 0.62989508 4584.6423
|
||||
36000 2.0056438 0.061207778 2.0646231 0.67282363 4486.0405
|
||||
37000 1.9973662 0.071703731 2.0668506 0.70279674 4403.9761
|
||||
38000 2.0141467 0.061219376 2.0731281 0.76079208 4350.9674
|
||||
39000 2.0220074 0.047129374 2.0668901 0.70712043 4303.3537
|
||||
40000 2.0429464 0.038774254 2.0794508 0.69745869 4217.7011
|
||||
41000 2.013036 0.07198376 2.082783 0.79269295 4161.6299
|
||||
42000 2.0336931 0.04101004 2.0724435 0.74401743 4125.1756
|
||||
43000 1.9944078 0.07334152 2.0655333 0.8718649 4069.478
|
||||
44000 1.969516 0.10437628 2.0717039 0.91962914 3989.4169
|
||||
45000 1.9881846 0.09799424 2.0839697 0.88896958 3960.0161
|
||||
46000 1.9698174 0.12257187 2.0902006 1.0056165 3898.8593
|
||||
47000 2.0088631 0.07294967 2.0795807 0.91234274 3860.7266
|
||||
48000 1.9900847 0.090683919 2.0785574 1.030267 3828.8677
|
||||
49000 1.979942 0.089347932 2.06709 0.89972418 3792.6116
|
||||
50000 2.0021028 0.083091671 2.0829699 0.92297934 3745.8376
|
||||
Loop time of 13.6269 on 1 procs for 50000 steps with 900 atoms
|
||||
|
||||
Pair time (%) = 7.92059 (58.1247)
|
||||
Neigh time (%) = 1.62628 (11.9344)
|
||||
Comm time (%) = 0.388837 (2.85346)
|
||||
Outpt time (%) = 0.345151 (2.53286)
|
||||
Other time (%) = 3.34603 (24.5546)
|
||||
|
||||
Nlocal: 900 ave 900 max 900 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Nghost: 498 ave 498 max 498 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Neighs: 6196 ave 6196 max 6196 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 6196
|
||||
Ave neighs/atom = 6.88444
|
||||
Neighbor list builds = 2769
|
||||
Dangerous builds = 0
|
||||
@ -1,120 +0,0 @@
|
||||
LAMMPS (7 Jul 2009)
|
||||
# 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 1.7234872 0.00099573088 1.722568 0.015516409 101033.02
|
||||
2000 1.9974361 0.0027373053 1.9979541 0.018869215 99044.293
|
||||
3000 2.116115 0.0064857798 2.1202495 0.029970575 68999.265
|
||||
4000 2.0978894 0.0081401739 2.1036985 0.049192217 41664.559
|
||||
5000 2.0428684 -0.00010721795 2.0404914 0.069391752 27239.613
|
||||
6000 2.0019425 0.0031728852 2.002891 0.094016766 20369.427
|
||||
7000 1.9828854 0.011207105 1.9918893 0.1199569 16949.713
|
||||
8000 1.9870461 0.011407921 1.9962462 0.13595355 14937.99
|
||||
9000 2.0085955 0.0027457564 2.0091095 0.15136502 13514.043
|
||||
10000 2.0238258 -0.0021763313 2.0194008 0.15758682 12357.414
|
||||
11000 2.0241766 0.0039986104 2.0259261 0.18329195 11332.747
|
||||
12000 2.004613 0.015391976 2.0177776 0.21538687 10470.543
|
||||
13000 1.9815879 0.036006594 2.0153927 0.24919811 9695.0898
|
||||
14000 2.0024493 0.013710169 2.0139345 0.25566922 8985.1219
|
||||
15000 2.0043484 0.015214665 2.017336 0.27202849 8433.6955
|
||||
16000 2.0007065 0.03736609 2.0358496 0.31398062 7977.3796
|
||||
17000 1.9974488 0.035224172 2.0304536 0.3323164 7632.0346
|
||||
18000 1.9822094 0.052533381 2.0325403 0.37760822 7337.8994
|
||||
19000 1.9833033 0.046831681 2.0279314 0.36661606 7031.4607
|
||||
20000 2.0225167 0.0097272078 2.0299966 0.34334951 6731.6068
|
||||
21000 2.0036051 0.027880451 2.0292593 0.39374216 6461.4285
|
||||
22000 2.0022247 0.032498478 2.0324985 0.43373127 6236.6369
|
||||
23000 2.0125715 0.028394062 2.0387293 0.41815378 6053.4071
|
||||
24000 2.021757 0.022936152 2.0424468 0.44080828 5873.0216
|
||||
25000 2.0024031 0.04338606 2.0435643 0.45167645 5718.7978
|
||||
26000 2.0166444 0.027021639 2.0414253 0.47976045 5577.4503
|
||||
27000 1.9900556 0.055208774 2.0430532 0.54869714 5439.5717
|
||||
28000 2.0188715 0.028299318 2.0449276 0.49992186 5295.0928
|
||||
29000 1.9792633 0.061723057 2.0387871 0.59696941 5182.4028
|
||||
30000 2.0056051 0.043115969 2.0464926 0.57166482 5039.9187
|
||||
31000 1.9961677 0.049238121 2.0431878 0.59159988 4902.7896
|
||||
32000 2.0319099 0.02358262 2.0532348 0.5628705 4802.0848
|
||||
33000 2.0170639 0.037400766 2.0522235 0.603712 4727.3304
|
||||
34000 1.9852792 0.073907076 2.0569804 0.65848142 4654.7451
|
||||
35000 1.9613793 0.10469406 2.0638941 0.82771607 4574.4168
|
||||
36000 1.9947309 0.065174832 2.0576893 0.67622787 4509.7284
|
||||
37000 2.0122054 0.050098921 2.0600685 0.69670069 4424.3456
|
||||
38000 1.9955683 0.068611225 2.0619622 0.76891502 4350.6543
|
||||
39000 1.9918718 0.070781116 2.0604397 0.75222148 4298.0233
|
||||
40000 1.9778712 0.085963636 2.0616372 0.81014747 4230.8951
|
||||
41000 2.0038661 0.063074072 2.0647136 0.80389218 4180.8895
|
||||
42000 2.0176584 0.064544906 2.0799615 0.85048972 4131.467
|
||||
43000 2.0108234 0.073120026 2.0817092 0.84283763 4098.7267
|
||||
44000 2.0072897 0.076129923 2.0811893 0.92920494 4023.507
|
||||
45000 2.0018853 0.075521424 2.0751824 0.9362977 3942.996
|
||||
46000 1.9964925 0.077345505 2.0716197 0.81819745 3892.6373
|
||||
47000 2.0159247 0.060090634 2.0737754 0.87254182 3851.5981
|
||||
48000 2.0013981 0.091124246 2.0902986 0.90418126 3813.9809
|
||||
49000 1.9609979 0.13424526 2.0930643 1.1125922 3775.5521
|
||||
50000 2.0193795 0.069623795 2.0867595 0.97575053 3741.3527
|
||||
Loop time of 30.7799 on 4 procs for 50000 steps with 900 atoms
|
||||
|
||||
Pair time (%) = 2.2738 (7.38727)
|
||||
Neigh time (%) = 0.441996 (1.43599)
|
||||
Comm time (%) = 15.8351 (51.4462)
|
||||
Outpt time (%) = 0.385077 (1.25107)
|
||||
Other time (%) = 11.8439 (38.4795)
|
||||
|
||||
Nlocal: 225 ave 252 max 210 min
|
||||
Histogram: 1 1 1 0 0 0 0 0 0 1
|
||||
Nghost: 302.75 ave 323 max 293 min
|
||||
Histogram: 1 2 0 0 0 0 0 0 0 1
|
||||
Neighs: 1470 ave 1577 max 1417 min
|
||||
Histogram: 1 2 0 0 0 0 0 0 0 1
|
||||
|
||||
Total # of neighbors = 5880
|
||||
Ave neighs/atom = 6.53333
|
||||
Neighbor list builds = 2787
|
||||
Dangerous builds = 0
|
||||
Reference in New Issue
Block a user