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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2366 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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examples/colloid/log.colloid.21May08.linux.1 deleted 100644 → 0
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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
examples/colloid/log.colloid.21May08.linux.4 deleted 100644 → 0
+ 0
− 120
View file @ 0f29eb20
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
examples/colloid/log.colloid.9Jan09.linux.1 0 → 100644
+ 120
− 0
View file @ c8632d65
LAMMPS (9 Jan 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 13.5143 on 1 procs for 50000 steps with 900 atoms
Pair time (%) = 7.8538 (58.1148)
Neigh time (%) = 1.59334 (11.79)
Comm time (%) = 0.389846 (2.8847)
Outpt time (%) = 0.347339 (2.57016)
Other time (%) = 3.32996 (24.6403)
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
examples/colloid/log.colloid.9Jan09.linux.4 0 → 100644
+ 120
− 0
View file @ c8632d65
LAMMPS (9 Jan 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 28.7523 on 4 procs for 50000 steps with 900 atoms
Pair time (%) = 2.26173 (7.86624)
Neigh time (%) = 0.434024 (1.50953)
Comm time (%) = 14.529 (50.5315)
Outpt time (%) = 0.368947 (1.28319)
Other time (%) = 11.1586 (38.8095)
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
examples/crack/log.crack.21May08.linux.1 → examples/crack/log.crack.9Jan09.linux.1
+ 7
− 7
View file @ c8632d65
LAMMPS (21 May 2008) LAMMPS (9 Jan 2009)
# 2d LJ crack simulation # 2d LJ crack simulation
dimension 2 dimension 2
...@@ -108,13 +108,13 @@ Step Temp E_pair E_mol TotEng Press Volume ...@@ -108,13 +108,13 @@ Step Temp E_pair E_mol TotEng Press Volume
4600 0.086766447 -3.0437627 0 -2.9634443 -1.0212664 9358.4367 4600 0.086766447 -3.0437627 0 -2.9634443 -1.0212664 9358.4367
4800 0.088195149 -3.0328502 0 -2.9512093 -1.0275959 9392.0495 4800 0.088195149 -3.0328502 0 -2.9512093 -1.0275959 9392.0495
5000 0.089415266 -3.0228825 0 -2.9401122 -1.0219203 9432.5928 5000 0.089415266 -3.0228825 0 -2.9401122 -1.0219203 9432.5928
Loop time of 12.8237 on 1 procs for 5000 steps with 8141 atoms Loop time of 12.9325 on 1 procs for 5000 steps with 8141 atoms
Pair time (%) = 11.0154 (85.8987) Pair time (%) = 11.0996 (85.8272)
Neigh time (%) = 0.39023 (3.04304) Neigh time (%) = 0.390668 (3.02083)
Comm time (%) = 0.00849199 (0.066221) Comm time (%) = 0.00825334 (0.0638187)
Outpt time (%) = 0.114103 (0.889782) Outpt time (%) = 0.124432 (0.962167)
Other time (%) = 1.29548 (10.1022) Other time (%) = 1.30954 (10.126)
Nlocal: 8141 ave 8141 max 8141 min Nlocal: 8141 ave 8141 max 8141 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
......
examples/crack/log.crack.21May08.linux.4 → examples/crack/log.crack.9Jan09.linux.4
+ 7
− 7
View file @ c8632d65
LAMMPS (21 May 2008) LAMMPS (9 Jan 2009)
# 2d LJ crack simulation # 2d LJ crack simulation
dimension 2 dimension 2
...@@ -108,13 +108,13 @@ Step Temp E_pair E_mol TotEng Press Volume ...@@ -108,13 +108,13 @@ Step Temp E_pair E_mol TotEng Press Volume
4600 0.088763719 -3.0446018 0 -2.9624346 -1.0280829 9388.1338 4600 0.088763719 -3.0446018 0 -2.9624346 -1.0280829 9388.1338
4800 0.089467982 -3.0337452 0 -2.950926 -1.0235966 9423.847 4800 0.089467982 -3.0337452 0 -2.950926 -1.0235966 9423.847
5000 0.089910902 -3.0237571 0 -2.9405279 -1.0178644 9448.4573 5000 0.089910902 -3.0237571 0 -2.9405279 -1.0178644 9448.4573
Loop time of 5.55919 on 4 procs for 5000 steps with 8141 atoms Loop time of 5.40562 on 4 procs for 5000 steps with 8141 atoms
Pair time (%) = 2.79903 (50.3495) Pair time (%) = 2.94337 (54.4502)
Neigh time (%) = 0.104656 (1.88258) Neigh time (%) = 0.107475 (1.9882)
Comm time (%) = 1.8012 (32.4004) Comm time (%) = 1.47218 (27.2342)
Outpt time (%) = 0.109615 (1.97177) Outpt time (%) = 0.116352 (2.15242)
Other time (%) = 0.744692 (13.3957) Other time (%) = 0.766248 (14.175)
Nlocal: 2035.25 ave 2064 max 2015 min Nlocal: 2035.25 ave 2064 max 2015 min
Histogram: 1 1 0 0 0 1 0 0 0 1 Histogram: 1 1 0 0 0 1 0 0 0 1
......
examples/dipole/in.dipole
+ 1
− 1
View file @ c8632d65
...@@ -31,6 +31,6 @@ compute erot all erotate/sphere ...@@ -31,6 +31,6 @@ compute erot all erotate/sphere
thermo_style custom step temp epair c_erot etotal press thermo_style custom step temp epair c_erot etotal press
thermo 500 thermo 500
dump 1 all custom 200 dump.dipole tag type x y z mux muy muz dump 1 all custom 200 dump.dipole id type x y z mux muy muz
run 10000 run 10000
examples/dipole/log.dipole.21May08.linux.1 → examples/dipole/log.dipole.9Jan09.linux.1
+ 84
− 0
View file @ c8632d65
LAMMPS (21 May 2008) LAMMPS (9 Jan 2009)
# Point dipoles in a 2d box # Point dipoles in a 2d box
units lj units lj
...@@ -37,48 +37,48 @@ compute erot all erotate/sphere ...@@ -37,48 +37,48 @@ compute erot all erotate/sphere
thermo_style custom step temp epair c_erot etotal press thermo_style custom step temp epair c_erot etotal press
thermo 500 thermo 500
dump 1 all custom 200 dump.dipole tag type x y z mux muy muz dump 1 all custom 200 dump.dipole id type x y z mux muy muz
run 10000 run 10000
Memory usage per processor = 2.56176 Mbytes Memory usage per processor = 2.56176 Mbytes
Step Temp E_pair erot TotEng Press Step Temp E_pair erot TotEng Press
0 0 -2.1909822 0 -2.1909822 -2.5750971 0 0 -2.1909822 0 -2.1909822 -2.5750971
500 0.34147461 -2.7418258 0.19338547 -2.4020585 -0.8249727 500 0.39335419 -2.7940623 0.20683255 -2.4026749 -0.24768899
1000 0.40747968 -2.8229537 0.21834492 -2.4175114 -0.38840717 1000 0.45259485 -2.8743423 0.22311811 -2.4240104 -0.14864606
1500 0.46154716 -2.8375913 0.18215373 -2.3783518 -0.53206048 1500 0.42110221 -2.8019061 0.19532181 -2.3829095 0.18067142
2000 0.4260216 -2.8138111 0.19511361 -2.3899196 0.25105158 2000 0.39019938 -2.791487 0.22407032 -2.4032386 -0.40913655
2500 0.46433558 -2.8605248 0.20450084 -2.3985109 -0.10749413 2500 0.40224095 -2.8137807 0.24277042 -2.413551 -0.33778399
3000 0.37036684 -2.7740526 0.22758113 -2.4055376 0.14916017 3000 0.44632277 -2.8672265 0.25164835 -2.4231354 -0.25576105
3500 0.40204495 -2.7807076 0.21535453 -2.3806729 0.11443486 3500 0.4432157 -2.8411608 0.23181147 -2.4001612 0.15436814
4000 0.48414345 -2.8671661 0.22749713 -2.3854433 0.018686085 4000 0.44769666 -2.8058266 0.20268507 -2.3603684 -0.19325037
4500 0.47100691 -2.824163 0.20797533 -2.3555111 -0.28502945 4500 0.4083207 -2.794909 0.23319104 -2.3886299 -0.33056832
5000 0.44520193 -2.8032518 0.21804415 -2.3602759 0.45640206 5000 0.41605559 -2.7950083 0.23056902 -2.381033 -0.11636534
5500 0.43822519 -2.8303277 0.26920423 -2.3942937 -0.38492346 5500 0.39800996 -2.7563727 0.21348825 -2.3603528 0.32159845
6000 0.42622278 -2.7949298 0.23879498 -2.3708381 -0.10124264 6000 0.41794449 -2.7546054 0.20084766 -2.3387507 -0.14424528
6500 0.4806966 -2.8484234 0.24787183 -2.3701303 -0.12613324 6500 0.46839585 -2.7910708 0.18425578 -2.3250169 0.20606571
7000 0.4538584 -2.7937993 0.22316547 -2.3422102 -0.30300725 7000 0.46549651 -2.8340552 0.23848623 -2.3708862 -0.230894
7500 0.41925032 -2.76312 0.22603976 -2.3459659 -0.36661933 7500 0.436404 -2.7754711 0.22025208 -2.3412491 -0.25640279
8000 0.4445679 -2.8027613 0.24552024 -2.3604162 0.045204393 8000 0.42518482 -2.7767444 0.24151659 -2.3536855 0.015171613
8500 0.41376651 -2.7621404 0.23914419 -2.3504427 0.1157167 8500 0.44334828 -2.7679607 0.22577669 -2.3268292 -0.1165612
9000 0.43955192 -2.7181551 0.19988038 -2.280801 -0.40091142 9000 0.47920815 -2.8293467 0.25604423 -2.3525346 -0.072740596
9500 0.48346196 -2.7777386 0.22316491 -2.296694 -0.097144544 9500 0.44353037 -2.7942649 0.2653616 -2.3529522 -0.026026025
10000 0.49780786 -2.7547088 0.2022762 -2.25939 0.077725534 10000 0.42566109 -2.7383343 0.22352654 -2.3148016 -0.11109703
Loop time of 1.81301 on 1 procs for 10000 steps with 200 atoms Loop time of 1.81598 on 1 procs for 10000 steps with 200 atoms
Pair time (%) = 1.45147 (80.0584) Pair time (%) = 1.454 (80.0668)
Neigh time (%) = 0.0490155 (2.70354) Neigh time (%) = 0.048126 (2.65014)
Comm time (%) = 0.0771546 (4.25561) Comm time (%) = 0.0769987 (4.24006)
Outpt time (%) = 0.0313296 (1.72804) Outpt time (%) = 0.0325 (1.78967)
Other time (%) = 0.204043 (11.2544) Other time (%) = 0.204359 (11.2533)
Nlocal: 200 ave 200 max 200 min Nlocal: 200 ave 200 max 200 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 147 ave 147 max 147 min Nghost: 153 ave 153 max 153 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 1657 ave 1657 max 1657 min Neighs: 1639 ave 1639 max 1639 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1657 Total # of neighbors = 1639
Ave neighs/atom = 8.285 Ave neighs/atom = 8.195
Neighbor list builds = 693 Neighbor list builds = 683
Dangerous builds = 0 Dangerous builds = 0
examples/dipole/log.dipole.21May08.linux.4 → examples/dipole/log.dipole.9Jan09.linux.4
+ 84
− 0
View file @ c8632d65
LAMMPS (21 May 2008) LAMMPS (9 Jan 2009)
# Point dipoles in a 2d box # Point dipoles in a 2d box
units lj units lj
...@@ -37,48 +37,48 @@ compute erot all erotate/sphere ...@@ -37,48 +37,48 @@ compute erot all erotate/sphere
thermo_style custom step temp epair c_erot etotal press thermo_style custom step temp epair c_erot etotal press
thermo 500 thermo 500
dump 1 all custom 200 dump.dipole tag type x y z mux muy muz dump 1 all custom 200 dump.dipole id type x y z mux muy muz
run 10000 run 10000
Memory usage per processor = 2.55191 Mbytes Memory usage per processor = 2.55191 Mbytes
Step Temp E_pair erot TotEng Press Step Temp E_pair erot TotEng Press
0 0 -2.1909822 0 -2.1909822 -2.5750971 0 0 -2.1909822 0 -2.1909822 -2.5750971
500 0.34147461 -2.7418258 0.19338547 -2.4020585 -0.8249727 500 0.39335419 -2.7940623 0.20683255 -2.4026749 -0.24768899
1000 0.40747968 -2.8229537 0.21834492 -2.4175114 -0.38840717 1000 0.45259485 -2.8743423 0.22311811 -2.4240104 -0.14864606
1500 0.46154713 -2.8375913 0.18215384 -2.3783519 -0.53206031 1500 0.42110221 -2.8019062 0.19532181 -2.3829095 0.18067141
2000 0.42597513 -2.8139804 0.19520391 -2.3901351 0.25133976 2000 0.39019976 -2.7914874 0.22407032 -2.4032386 -0.40914007
2500 0.40224412 -2.8042036 0.20729219 -2.4039707 -0.13768351 2500 0.40241808 -2.8139368 0.24273185 -2.4135308 -0.33901435
3000 0.44950081 -2.8607567 0.2163603 -2.4135034 -0.37718214 3000 0.44385073 -2.8841206 0.26820527 -2.4424891 -0.18771873
3500 0.42561192 -2.8200273 0.20127716 -2.3965435 -0.2446625 3500 0.40763888 -2.7874455 0.21859172 -2.3818448 -0.29939179
4000 0.38695908 -2.7984855 0.23451044 -2.4134612 -0.085904856 4000 0.39572137 -2.7952047 0.23890334 -2.4014619 0.027516282
4500 0.39315776 -2.7972983 0.24188008 -2.4061063 -0.1483928 4500 0.41553629 -2.8105294 0.2415374 -2.3970708 -0.33163763
5000 0.43431963 -2.7938176 0.1924971 -2.3616696 0.16044322 5000 0.41009757 -2.8264839 0.26796144 -2.4184368 -0.38798947
5500 0.53852608 -2.8823448 0.19537417 -2.3465113 0.14220621 5500 0.39502429 -2.764152 0.22551462 -2.3711028 0.002263633
6000 0.50125727 -2.8270371 0.18662068 -2.3282861 -0.12637044 6000 0.38537876 -2.7007538 0.17808354 -2.3173019 -0.46257213
6500 0.42401402 -2.7997548 0.24141194 -2.3778609 -0.016170475 6500 0.42543297 -2.7860038 0.22453846 -2.362698 -0.15771205
7000 0.40501108 -2.7515392 0.22505849 -2.3485531 -0.2059805 7000 0.43880567 -2.7970302 0.22155414 -2.3604186 0.098904992
7500 0.48308411 -2.8009045 0.19665048 -2.3202358 0.10495345 7500 0.44080761 -2.8269059 0.25209777 -2.3883023 0.050555327
8000 0.48408101 -2.8505581 0.24762262 -2.3688975 -0.092482458 8000 0.46644829 -2.7870585 0.2011672 -2.3229425 -0.20128046
8500 0.40591248 -2.7151281 0.20375135 -2.3112452 -0.43234161 8500 0.46039525 -2.7485378 0.17706199 -2.2904445 0.0076338169
9000 0.44299739 -2.7437233 0.20190578 -2.3029409 0.17321304 9000 0.44947678 -2.7651501 0.21406142 -2.3179207 0.21879322
9500 0.44248616 -2.7891931 0.26840058 -2.3489194 -0.34093083 9500 0.43844845 -2.7552635 0.21757253 -2.3190073 -0.47705223
10000 0.46831122 -2.7619603 0.21675378 -2.2959906 0.06991871 10000 0.48023546 -2.8308225 0.25467828 -2.3529882 0.1533682
Loop time of 4.52779 on 4 procs for 10000 steps with 200 atoms Loop time of 4.16082 on 4 procs for 10000 steps with 200 atoms
Pair time (%) = 0.408237 (9.01626) Pair time (%) = 0.443065 (10.6485)
Neigh time (%) = 0.0151789 (0.335238) Neigh time (%) = 0.0166704 (0.400652)
Comm time (%) = 3.24156 (71.5926) Comm time (%) = 2.90027 (69.7043)
Outpt time (%) = 0.0510209 (1.12684) Outpt time (%) = 0.0493846 (1.1869)
Other time (%) = 0.811791 (17.9291) Other time (%) = 0.751426 (18.0596)
Nlocal: 50 ave 53 max 45 min Nlocal: 50 ave 58 max 45 min
Histogram: 1 0 0 0 0 0 1 0 1 1 Histogram: 2 0 0 0 1 0 0 0 0 1
Nghost: 88.75 ave 92 max 84 min Nghost: 92.75 ave 96 max 89 min
Histogram: 1 0 0 0 0 0 1 1 0 1 Histogram: 1 0 0 0 0 2 0 0 0 1
Neighs: 411.5 ave 439 max 344 min Neighs: 416.5 ave 517 max 360 min
Histogram: 1 0 0 0 0 0 0 0 1 2 Histogram: 2 0 0 0 1 0 0 0 0 1
Total # of neighbors = 1646 Total # of neighbors = 1666
Ave neighs/atom = 8.23 Ave neighs/atom = 8.33
Neighbor list builds = 690 Neighbor list builds = 673
Dangerous builds = 0 Dangerous builds = 0
examples/ellipse/in.ellipse.gayberne
+ 2
− 2
View file @ c8632d65
...@@ -38,10 +38,10 @@ thermo 100 ...@@ -38,10 +38,10 @@ thermo 100
timestep 0.002 timestep 0.002
dump 1 all custom 100 dump.ellipse.gayberne & dump 1 all custom 100 dump.ellipse.gayberne &
tag type x y z quatw quati quatj quatk id type x y z quatw quati quatj quatk
#dump 1 all custom 100 dump.ellipse.resquared & #dump 1 all custom 100 dump.ellipse.resquared &
# tag type x y z quatw quati quatj quatk # id type x y z quatw quati quatj quatk
fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0 fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0
fix 2 all enforce2d fix 2 all enforce2d
......
examples/ellipse/in.ellipse.resquared
+ 2
− 2
View file @ c8632d65
...@@ -38,10 +38,10 @@ thermo 100 ...@@ -38,10 +38,10 @@ thermo 100
timestep 0.002 timestep 0.002
#dump 1 all custom 100 dump.ellipse.gayberne & #dump 1 all custom 100 dump.ellipse.gayberne &
# tag type x y z quatw quati quatj quatk # id type x y z quatw quati quatj quatk
dump 1 all custom 100 dump.ellipse.resquared & dump 1 all custom 100 dump.ellipse.resquared &
tag type x y z quatw quati quatj quatk id type x y z quatw quati quatj quatk
fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0 fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0
fix 2 all enforce2d fix 2 all enforce2d
......
examples/ellipse/log.ellipse.gayberne.21May08.linux.1 → examples/ellipse/log.ellipse.gayberne.9Jan09.linux.1
+ 38
− 38
View file @ c8632d65
LAMMPS (21 May 2008) LAMMPS (9 Jan 2009)
# GayBerne ellipsoids in LJ background fluid # GayBerne ellipsoids in LJ background fluid
units lj units lj
...@@ -44,9 +44,9 @@ thermo 100 ...@@ -44,9 +44,9 @@ thermo 100
timestep 0.002 timestep 0.002
dump 1 all custom 100 dump.ellipse.gayberne tag type x y z quatw quati quatj quatk dump 1 all custom 100 dump.ellipse.gayberne id type x y z quatw quati quatj quatk
#dump 1 all custom 100 dump.ellipse.resquared # tag type x y z quatw quati quatj quatk #dump 1 all custom 100 dump.ellipse.resquared # id type x y z quatw quati quatj quatk
fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0 fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0
fix 2 all enforce2d fix 2 all enforce2d
...@@ -77,13 +77,13 @@ Step rot E_pair TotEng Press Volume ...@@ -77,13 +77,13 @@ Step rot E_pair TotEng Press Volume
1800 2.0778263 -3.0986863 -1.0206119 1.0072124 1165.8323 1800 2.0778263 -3.0986863 -1.0206119 1.0072124 1165.8323
1900 1.8691514 -3.1095986 -1.2252585 0.8080875 1190.9616 1900 1.8691514 -3.1095986 -1.2252585 0.8080875 1190.9616
2000 1.9636929 -3.1701486 -1.2453089 1.1030872 1176.9149 2000 1.9636929 -3.1701486 -1.2453089 1.1030872 1176.9149
Loop time of 1.2504 on 1 procs for 2000 steps with 400 atoms Loop time of 1.24398 on 1 procs for 2000 steps with 400 atoms
Pair time (%) = 0.93252 (74.5778) Pair time (%) = 0.9361 (75.2505)
Neigh time (%) = 0.0132384 (1.05874) Neigh time (%) = 0.0133338 (1.07187)
Comm time (%) = 0.0220492 (1.76337) Comm time (%) = 0.0215173 (1.72971)
Outpt time (%) = 0.0338867 (2.71007) Outpt time (%) = 0.0353124 (2.83867)
Other time (%) = 0.248705 (19.89) Other time (%) = 0.237715 (19.1093)
Nlocal: 400 ave 400 max 400 min Nlocal: 400 ave 400 max 400 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
...@@ -106,42 +106,42 @@ run 2000 ...@@ -106,42 +106,42 @@ run 2000
Memory usage per processor = 2.5919 Mbytes Memory usage per processor = 2.5919 Mbytes
Step rot E_pair TotEng Press Volume Step rot E_pair TotEng Press Volume
2000 1.9636929 -3.1701486 -1.2453089 1.1030872 1176.9149 2000 1.9636929 -3.1701486 -1.2453089 1.1030872 1176.9149
2100 1.9786552 -3.1838438 -1.1881672 0.49856381 1176.9149 2100 1.9786552 -3.1838438 -1.1881672 0.4985638 1176.9149
2200 1.9734868 -3.180021 -1.1802031 0.79402856 1176.9149 2200 1.9734868 -3.180021 -1.1802031 0.79402856 1176.9149
2300 1.9986019 -3.2105474 -1.2230998 0.74682866 1176.9149 2300 1.9986019 -3.2105474 -1.2230998 0.74682865 1176.9149
2400 2.0588205 -3.2718878 -1.1680024 0.65794795 1176.9149 2400 2.0588205 -3.2718878 -1.1680024 0.65794795 1176.9149
2500 2.0355464 -3.2470841 -1.2102204 0.72578641 1176.9149 2500 2.0355464 -3.2470841 -1.2102204 0.72578656 1176.9149
2600 2.0540796 -3.2674115 -1.1840972 0.60223605 1176.9149 2600 2.0540795 -3.2674114 -1.1840971 0.60223661 1176.9149
2700 2.0456166 -3.2583563 -1.177938 0.5998038 1176.9149 2700 2.0456168 -3.2583566 -1.1779379 0.5998037 1176.9149
2800 2.0424993 -3.2552445 -1.1893022 0.70082467 1176.9149 2800 2.0424993 -3.2552446 -1.1893025 0.70082387 1176.9149
2900 1.9846451 -3.1943095 -1.2115539 0.66453466 1176.9149 2900 1.9846471 -3.1943116 -1.2115544 0.6645217 1176.9149
3000 1.9581081 -3.1653173 -1.1986913 0.50999007 1176.9149 3000 1.9581134 -3.1653224 -1.1986909 0.50999911 1176.9149
3100 1.9857943 -3.1963058 -1.256007 0.37827202 1176.9149 3100 1.9858055 -3.196317 -1.2560071 0.37824342 1176.9149
3200 2.0076052 -3.2177296 -1.2236764 0.483867 1176.9149 3200 2.0076513 -3.2177772 -1.2236711 0.48370413 1176.9149
3300 1.9802529 -3.1914149 -1.2047975 0.5938853 1176.9149 3300 1.9805952 -3.1917719 -1.2048229 0.59309659 1176.9149
3400 2.0450405 -3.2607288 -1.2259986 0.28609172 1176.9149 3400 2.0447352 -3.2604061 -1.2260273 0.28679632 1176.9149
3500 1.9999875 -3.2132498 -1.1854255 0.62924224 1176.9149 3500 2.0005194 -3.2138013 -1.1855814 0.62741581 1176.9149
3600 2.0631028 -3.2811837 -1.1722628 0.5970612 1176.9149 3600 2.0634854 -3.2814411 -1.1718602 0.60312935 1176.9149
3700 1.9794507 -3.1924321 -1.202882 0.82058842 1176.9149 3700 1.9844208 -3.1974233 -1.2000598 0.80838443 1176.9149
3800 2.0379967 -3.2512273 -1.1964393 0.40334248 1176.9149 3800 2.052546 -3.2663178 -1.1999342 0.37199206 1176.9149
3900 2.1120245 -3.3297924 -1.2091066 0.51931911 1176.9149 3900 2.1230189 -3.3431122 -1.2046901 0.50396947 1176.9149
4000 2.0733971 -3.2925123 -1.2307427 0.56552238 1176.9149 4000 2.0563355 -3.2716788 -1.2006558 0.77494415 1176.9149
Loop time of 1.4074 on 1 procs for 2000 steps with 400 atoms Loop time of 1.41378 on 1 procs for 2000 steps with 400 atoms
Pair time (%) = 1.14031 (81.0225) Pair time (%) = 1.14511 (80.9966)
Neigh time (%) = 0.00835967 (0.593981) Neigh time (%) = 0.00828433 (0.585972)
Comm time (%) = 0.0250871 (1.78252) Comm time (%) = 0.0244262 (1.72773)
Outpt time (%) = 0.033994 (2.41538) Outpt time (%) = 0.0354424 (2.50693)
Other time (%) = 0.199648 (14.1856) Other time (%) = 0.200513 (14.1828)
Nlocal: 400 ave 400 max 400 min Nlocal: 400 ave 400 max 400 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 224 ave 224 max 224 min Nghost: 225 ave 225 max 225 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 2985 ave 2985 max 2985 min Neighs: 2969 ave 2969 max 2969 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 2985 Total # of neighbors = 2969
Ave neighs/atom = 7.4625 Ave neighs/atom = 7.4225
Neighbor list builds = 48 Neighbor list builds = 48
Dangerous builds = 0 Dangerous builds = 0
examples/ellipse/log.ellipse.gayberne.21May08.linux.4 → examples/ellipse/log.ellipse.gayberne.9Jan09.linux.4
+ 45
− 45
View file @ c8632d65
LAMMPS (21 May 2008) LAMMPS (9 Jan 2009)
# GayBerne ellipsoids in LJ background fluid # GayBerne ellipsoids in LJ background fluid
units lj units lj
...@@ -44,9 +44,9 @@ thermo 100 ...@@ -44,9 +44,9 @@ thermo 100
timestep 0.002 timestep 0.002
dump 1 all custom 100 dump.ellipse.gayberne tag type x y z quatw quati quatj quatk dump 1 all custom 100 dump.ellipse.gayberne id type x y z quatw quati quatj quatk
#dump 1 all custom 100 dump.ellipse.resquared # tag type x y z quatw quati quatj quatk #dump 1 all custom 100 dump.ellipse.resquared # id type x y z quatw quati quatj quatk
fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0 fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0
fix 2 all enforce2d fix 2 all enforce2d
...@@ -76,14 +76,14 @@ Step rot E_pair TotEng Press Volume ...@@ -76,14 +76,14 @@ Step rot E_pair TotEng Press Volume
1700 1.8831547 -3.3012167 -1.452471 0.55662052 1120.1928 1700 1.8831547 -3.3012167 -1.452471 0.55662052 1120.1928
1800 2.0778263 -3.0986863 -1.0206119 1.0072124 1165.8323 1800 2.0778263 -3.0986863 -1.0206119 1.0072124 1165.8323
1900 1.8691514 -3.1095986 -1.2252585 0.80808749 1190.9616 1900 1.8691514 -3.1095986 -1.2252585 0.80808749 1190.9616
2000 1.9636929 -3.1701486 -1.2453089 1.1030871 1176.9149 2000 1.9636929 -3.1701486 -1.2453089 1.1030872 1176.9149
Loop time of 1.41726 on 4 procs for 2000 steps with 400 atoms Loop time of 1.35504 on 4 procs for 2000 steps with 400 atoms
Pair time (%) = 0.254874 (17.9836) Pair time (%) = 0.274599 (20.2651)
Neigh time (%) = 0.00383508 (0.270599) Neigh time (%) = 0.00430083 (0.317396)
Comm time (%) = 0.669287 (47.2241) Comm time (%) = 0.623573 (46.0189)
Outpt time (%) = 0.0560044 (3.9516) Outpt time (%) = 0.0568356 (4.1944)
Other time (%) = 0.433258 (30.5701) Other time (%) = 0.395728 (29.2042)
Nlocal: 100 ave 114 max 80 min Nlocal: 100 ave 114 max 80 min
Histogram: 1 0 0 0 0 1 0 1 0 1 Histogram: 1 0 0 0 0 1 0 1 0 1
...@@ -105,43 +105,43 @@ fix 1 all nve/asphere ...@@ -105,43 +105,43 @@ fix 1 all nve/asphere
run 2000 run 2000
Memory usage per processor = 2.56129 Mbytes Memory usage per processor = 2.56129 Mbytes
Step rot E_pair TotEng Press Volume Step rot E_pair TotEng Press Volume
2000 1.9636929 -3.1701486 -1.2453089 1.1030871 1176.9149 2000 1.9636929 -3.1701486 -1.2453089 1.1030872 1176.9149
2100 1.9786552 -3.1838438 -1.1881672 0.49856382 1176.9149 2100 1.9786552 -3.1838438 -1.1881672 0.49856382 1176.9149
2200 1.9734867 -3.1800209 -1.1802031 0.79402882 1176.9149 2200 1.9734867 -3.1800209 -1.1802031 0.79402881 1176.9149
2300 1.9986018 -3.2105474 -1.2230998 0.74682898 1176.9149 2300 1.9986018 -3.2105474 -1.2230998 0.74682903 1176.9149
2400 2.0588206 -3.2718879 -1.1680027 0.65794654 1176.9149 2400 2.0588206 -3.2718878 -1.1680027 0.65794651 1176.9149
2500 2.0355453 -3.2470829 -1.2102212 0.72578578 1176.9149 2500 2.0355449 -3.2470825 -1.2102211 0.725789 1176.9149
2600 2.0540797 -3.2674115 -1.1840971 0.60223907 1176.9149 2600 2.0540794 -3.2674112 -1.184097 0.60224004 1176.9149
2700 2.0456165 -3.2583562 -1.1779378 0.59979597 1176.9149 2700 2.045619 -3.2583589 -1.1779379 0.5997882 1176.9149
2800 2.0425097 -3.2552542 -1.189297 0.70076228 1176.9149 2800 2.0425039 -3.2552493 -1.1892987 0.70077129 1176.9149
2900 1.9846096 -3.1942735 -1.2115473 0.6646236 1176.9149 2900 1.9845983 -3.1942625 -1.2115465 0.66466283 1176.9149
3000 1.9581313 -3.1653426 -1.1986472 0.51000292 1176.9149 3000 1.9580995 -3.1653087 -1.1986449 0.51011161 1176.9149
3100 1.9853906 -3.1960037 -1.256084 0.37948337 1176.9149 3100 1.9854156 -3.195784 -1.2558378 0.37969613 1176.9149
3200 2.0079056 -3.2180488 -1.2235777 0.48228921 1176.9149 3200 2.007952 -3.2182168 -1.2236992 0.48212702 1176.9149
3300 1.9790253 -3.1899998 -1.2044075 0.59676043 1176.9149 3300 1.9796901 -3.1905744 -1.2043728 0.59484759 1176.9149
3400 2.0479977 -3.2638333 -1.2261703 0.27621482 1176.9149 3400 2.0482516 -3.2643455 -1.2262774 0.27616219 1176.9149
3500 2.0066637 -3.2203747 -1.1864954 0.62437852 1176.9149 3500 2.0062298 -3.2197723 -1.1865205 0.62434193 1176.9149
3600 2.0689199 -3.2865465 -1.1668082 0.58048934 1176.9149 3600 2.0644385 -3.2818964 -1.1650087 0.60343277 1176.9149
3700 1.9862678 -3.1988748 -1.207327 0.8353193 1176.9149 3700 2.0019985 -3.2152109 -1.2091661 0.79597538 1176.9149
3800 2.0401189 -3.2549146 -1.214896 0.34234416 1176.9149 3800 2.0488618 -3.2641398 -1.2192393 0.33487992 1176.9149
3900 2.0378699 -3.2539328 -1.1893919 0.66653795 1176.9149 3900 2.0262715 -3.2413499 -1.1638987 0.75986003 1176.9149
4000 2.0609507 -3.2820151 -1.2128386 0.64471907 1176.9149 4000 2.0221155 -3.2392968 -1.197498 0.77130116 1176.9149
Loop time of 1.22293 on 4 procs for 2000 steps with 400 atoms Loop time of 1.20441 on 4 procs for 2000 steps with 400 atoms
Pair time (%) = 0.311134 (25.4416) Pair time (%) = 0.338918 (28.1398)
Neigh time (%) = 0.00231725 (0.189483) Neigh time (%) = 0.0025869 (0.214786)
Comm time (%) = 0.670141 (54.7979) Comm time (%) = 0.635221 (52.7414)
Outpt time (%) = 0.0586291 (4.79414) Outpt time (%) = 0.0546867 (4.54055)
Other time (%) = 0.180711 (14.7769) Other time (%) = 0.172994 (14.3634)
Nlocal: 100 ave 121 max 70 min Nlocal: 100 ave 120 max 70 min
Histogram: 1 0 0 0 0 0 1 1 0 1 Histogram: 1 0 0 0 0 0 1 1 0 1
Nghost: 143 ave 155 max 129 min Nghost: 143.75 ave 153 max 133 min
Histogram: 1 0 0 1 0 0 0 1 0 1 Histogram: 1 0 1 0 0 0 0 0 0 2
Neighs: 750.5 ave 1001 max 418 min Neighs: 742 ave 975 max 416 min
Histogram: 1 0 0 0 0 1 1 0 0 1 Histogram: 1 0 0 0 0 1 0 1 0 1
Total # of neighbors = 3002 Total # of neighbors = 2968
Ave neighs/atom = 7.505 Ave neighs/atom = 7.42
Neighbor list builds = 47 Neighbor list builds = 47
Dangerous builds = 0 Dangerous builds = 0
examples/ellipse/log.ellipse.resquared.21May08.linux.1 → examples/ellipse/log.ellipse.resquared.9Jan09.linux.1
+ 30
− 30
View file @ c8632d65
LAMMPS (21 May 2008) LAMMPS (9 Jan 2009)
# RESquared ellipsoids in LJ background fluid # RESquared ellipsoids in LJ background fluid
units lj units lj
...@@ -44,9 +44,9 @@ thermo 100 ...@@ -44,9 +44,9 @@ thermo 100
timestep 0.002 timestep 0.002
#dump 1 all custom 100 dump.ellipse.gayberne # tag type x y z quatw quati quatj quatk #dump 1 all custom 100 dump.ellipse.gayberne # id type x y z quatw quati quatj quatk
dump 1 all custom 100 dump.ellipse.resquared tag type x y z quatw quati quatj quatk dump 1 all custom 100 dump.ellipse.resquared id type x y z quatw quati quatj quatk
fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0 fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0
fix 2 all enforce2d fix 2 all enforce2d
...@@ -77,13 +77,13 @@ Step rot E_pair TotEng Press Volume ...@@ -77,13 +77,13 @@ Step rot E_pair TotEng Press Volume
1800 1.9313351 0.14233089 2.0646735 0.83838184 2321.0971 1800 1.9313351 0.14233089 2.0646735 0.83838184 2321.0971
1900 2.0664832 0.16461014 2.1858936 1.1676882 1900.719 1900 2.0664832 0.16461014 2.1858936 1.1676882 1900.719
2000 1.9340159 0.16879369 2.1186931 1.3526231 1658.4096 2000 1.9340159 0.16879369 2.1186931 1.3526231 1658.4096
Loop time of 2.3213 on 1 procs for 2000 steps with 400 atoms Loop time of 2.32323 on 1 procs for 2000 steps with 400 atoms
Pair time (%) = 1.99781 (86.0641) Pair time (%) = 2.01102 (86.5614)
Neigh time (%) = 0.014091 (0.60703) Neigh time (%) = 0.0139465 (0.600309)
Comm time (%) = 0.0165789 (0.714207) Comm time (%) = 0.0161645 (0.69578)
Outpt time (%) = 0.034477 (1.48524) Outpt time (%) = 0.0352306 (1.51645)
Other time (%) = 0.258347 (11.1294) Other time (%) = 0.246867 (10.626)
Nlocal: 400 ave 400 max 400 min Nlocal: 400 ave 400 max 400 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
...@@ -112,27 +112,27 @@ Step rot E_pair TotEng Press Volume ...@@ -112,27 +112,27 @@ Step rot E_pair TotEng Press Volume
2400 1.9130129 0.1909732 2.1178764 1.360918 1658.4096 2400 1.9130129 0.1909732 2.1178764 1.360918 1658.4096
2500 1.923006 0.18047305 2.0814946 1.300819 1658.4096 2500 1.923006 0.18047305 2.0814946 1.300819 1658.4096
2600 1.9861146 0.11411525 2.0953259 1.0398086 1658.4096 2600 1.9861146 0.11411525 2.0953259 1.0398086 1658.4096
2700 1.9100096 0.19413009 2.0711987 1.3442038 1658.4096 2700 1.9100096 0.1941301 2.0711987 1.3442038 1658.4096
2800 1.9229156 0.18068077 2.0604436 1.3326936 1658.4096 2800 1.9229156 0.18068072 2.0604436 1.3326934 1658.4096
2900 1.9390668 0.16374522 2.084979 1.2648628 1658.4096 2900 1.9390667 0.16374525 2.0849791 1.264863 1658.4096
3000 1.8823323 0.22349207 2.0853271 1.5182108 1658.4096 3000 1.8823323 0.22349203 2.0853271 1.5182105 1658.4096
3100 1.904216 0.2002807 2.0777595 1.3868716 1658.4096 3100 1.904216 0.20028065 2.0777595 1.3868714 1658.4096
3200 1.9189112 0.18492983 2.069413 1.3303671 1658.4096 3200 1.9189112 0.18492982 2.069413 1.3303672 1658.4096
3300 1.8823024 0.22351455 2.0549801 1.5696985 1658.4096 3300 1.8823024 0.22351451 2.0549802 1.569698 1658.4096
3400 1.9062113 0.19834529 2.0909042 1.452763 1658.4096 3400 1.9062112 0.19834537 2.090903 1.452764 1658.4096
3500 1.9502985 0.15175121 2.0880307 1.2382766 1658.4096 3500 1.9502994 0.15175026 2.0880303 1.2382686 1658.4096
3600 1.9785887 0.12200393 2.1051591 1.0976058 1658.4096 3600 1.9785893 0.12200336 2.1051593 1.0976039 1658.4096
3700 1.8929677 0.21215454 2.0740511 1.4270618 1658.4096 3700 1.8929678 0.21215449 2.074051 1.4270608 1658.4096
3800 1.9312361 0.17174214 2.0694738 1.30501 1658.4096 3800 1.9312462 0.17173151 2.069472 1.3049445 1658.4096
3900 1.9552683 0.14654684 2.0903398 1.2082694 1658.4096 3900 1.9552589 0.14655683 2.090338 1.2083181 1658.4096
4000 1.9147075 0.18935225 2.1044998 1.3672816 1658.4096 4000 1.9146936 0.18936702 2.1044975 1.3673466 1658.4096
Loop time of 4.08604 on 1 procs for 2000 steps with 400 atoms Loop time of 4.06854 on 1 procs for 2000 steps with 400 atoms
Pair time (%) = 3.80795 (93.1941) Pair time (%) = 3.79136 (93.1871)
Neigh time (%) = 0.00631857 (0.154638) Neigh time (%) = 0.00634575 (0.155971)
Comm time (%) = 0.0228438 (0.55907) Comm time (%) = 0.022002 (0.540783)
Outpt time (%) = 0.0349987 (0.856542) Outpt time (%) = 0.0354505 (0.871331)
Other time (%) = 0.213933 (5.23569) Other time (%) = 0.213388 (5.24482)
Nlocal: 400 ave 400 max 400 min Nlocal: 400 ave 400 max 400 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
......
examples/ellipse/log.ellipse.resquared.21May08.linux.4 → examples/ellipse/log.ellipse.resquared.9Jan09.linux.4
+ 28
− 28
View file @ c8632d65
LAMMPS (21 May 2008) LAMMPS (9 Jan 2009)
# RESquared ellipsoids in LJ background fluid # RESquared ellipsoids in LJ background fluid
units lj units lj
...@@ -44,9 +44,9 @@ thermo 100 ...@@ -44,9 +44,9 @@ thermo 100
timestep 0.002 timestep 0.002
#dump 1 all custom 100 dump.ellipse.gayberne # tag type x y z quatw quati quatj quatk #dump 1 all custom 100 dump.ellipse.gayberne # id type x y z quatw quati quatj quatk
dump 1 all custom 100 dump.ellipse.resquared tag type x y z quatw quati quatj quatk dump 1 all custom 100 dump.ellipse.resquared id type x y z quatw quati quatj quatk
fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0 fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0
fix 2 all enforce2d fix 2 all enforce2d
...@@ -77,13 +77,13 @@ Step rot E_pair TotEng Press Volume ...@@ -77,13 +77,13 @@ Step rot E_pair TotEng Press Volume
1800 1.9313351 0.14233089 2.0646735 0.83838184 2321.0971 1800 1.9313351 0.14233089 2.0646735 0.83838184 2321.0971
1900 2.0664832 0.16461014 2.1858936 1.1676882 1900.719 1900 2.0664832 0.16461014 2.1858936 1.1676882 1900.719
2000 1.9340159 0.16879369 2.1186931 1.3526231 1658.4096 2000 1.9340159 0.16879369 2.1186931 1.3526231 1658.4096
Loop time of 1.55915 on 4 procs for 2000 steps with 400 atoms Loop time of 1.69773 on 4 procs for 2000 steps with 400 atoms
Pair time (%) = 0.516469 (33.1252) Pair time (%) = 0.532507 (31.3659)
Neigh time (%) = 0.00421089 (0.270077) Neigh time (%) = 0.00468779 (0.276121)
Comm time (%) = 0.611745 (39.2359) Comm time (%) = 0.695352 (40.9578)
Outpt time (%) = 0.0517598 (3.31975) Outpt time (%) = 0.0554838 (3.26812)
Other time (%) = 0.37496 (24.0491) Other time (%) = 0.409698 (24.1321)
Nlocal: 100 ave 109 max 96 min Nlocal: 100 ave 109 max 96 min
Histogram: 2 0 1 0 0 0 0 0 0 1 Histogram: 2 0 1 0 0 0 0 0 0 1
...@@ -113,26 +113,26 @@ Step rot E_pair TotEng Press Volume ...@@ -113,26 +113,26 @@ Step rot E_pair TotEng Press Volume
2500 1.923006 0.18047305 2.0814946 1.300819 1658.4096 2500 1.923006 0.18047305 2.0814946 1.300819 1658.4096
2600 1.9861146 0.11411525 2.0953259 1.0398086 1658.4096 2600 1.9861146 0.11411525 2.0953259 1.0398086 1658.4096
2700 1.9100096 0.1941301 2.0711987 1.3442038 1658.4096 2700 1.9100096 0.1941301 2.0711987 1.3442038 1658.4096
2800 1.9229156 0.1806807 2.0604436 1.3326933 1658.4096 2800 1.9229156 0.18068071 2.0604436 1.3326934 1658.4096
2900 1.9390667 0.16374526 2.0849791 1.264863 1658.4096 2900 1.9390667 0.16374526 2.0849791 1.264863 1658.4096
3000 1.8823324 0.22349199 2.0853271 1.5182104 1658.4096 3000 1.8823323 0.22349202 2.0853271 1.5182105 1658.4096
3100 1.904216 0.20028063 2.0777596 1.3868713 1658.4096 3100 1.904216 0.20028062 2.0777595 1.3868713 1658.4096
3200 1.9189114 0.18492962 2.069413 1.3303662 1658.4096 3200 1.9189113 0.18492973 2.069413 1.3303666 1658.4096
3300 1.8823026 0.22351436 2.0549801 1.569697 1658.4096 3300 1.8823024 0.22351453 2.0549802 1.5696981 1658.4096
3400 1.9062107 0.1983459 2.0909008 1.4527662 1658.4096 3400 1.9062108 0.19834587 2.0909013 1.4527658 1658.4096
3500 1.9503014 0.15174814 2.0880308 1.2382499 1658.4096 3500 1.950301 0.15174858 2.0880306 1.2382539 1658.4096
3600 1.9785903 0.12200228 2.1051589 1.0976001 1658.4096 3600 1.97859 0.12200255 2.1051588 1.0976003 1658.4096
3700 1.8929681 0.21215409 2.0740513 1.4270612 1658.4096 3700 1.8929675 0.21215481 2.0740516 1.427063 1658.4096
3800 1.9312505 0.17172697 2.0694714 1.3049156 1658.4096 3800 1.9312623 0.17171449 2.0694637 1.304825 1658.4096
3900 1.9552504 0.14656576 2.0903398 1.2083612 1658.4096 3900 1.9552606 0.146555 2.09034 1.2083135 1658.4096
4000 1.9147153 0.18934405 2.1044888 1.3672132 1658.4096 4000 1.9147069 0.18935294 2.1044877 1.3672842 1658.4096
Loop time of 1.85192 on 4 procs for 2000 steps with 400 atoms Loop time of 1.93744 on 4 procs for 2000 steps with 400 atoms
Pair time (%) = 0.984376 (53.1543) Pair time (%) = 1.01079 (52.1716)
Neigh time (%) = 0.00186694 (0.100811) Neigh time (%) = 0.00211781 (0.10931)
Comm time (%) = 0.630368 (34.0385) Comm time (%) = 0.689965 (35.6123)
Outpt time (%) = 0.0533838 (2.88262) Outpt time (%) = 0.0564286 (2.91254)
Other time (%) = 0.181929 (9.82376) Other time (%) = 0.178134 (9.19432)
Nlocal: 100 ave 104 max 95 min Nlocal: 100 ave 104 max 95 min
Histogram: 1 0 0 1 0 0 0 0 1 1 Histogram: 1 0 0 1 0 0 0 0 1 1
......
examples/flow/log.flow.couette.21May08.linux.1 → examples/flow/log.flow.couette.9Jan09.linux.1
+ 7
− 7
View file @ c8632d65
LAMMPS (21 May 2008) LAMMPS (9 Jan 2009)
# 2-d LJ flow simulation # 2-d LJ flow simulation
dimension 2 dimension 2
...@@ -101,13 +101,13 @@ Step Temp E_pair E_mol TotEng Press Volume ...@@ -101,13 +101,13 @@ Step Temp E_pair E_mol TotEng Press Volume
9000 1 -0.46508823 0 0.24681654 2.3230725 571.43371 9000 1 -0.46508823 0 0.24681654 2.3230725 571.43371
9500 1.1114345 -0.4020811 0 0.3891544 2.559154 571.43371 9500 1.1114345 -0.4020811 0 0.3891544 2.559154 571.43371
10000 1.0176833 -0.42582303 0 0.29867054 2.5282372 571.43371 10000 1.0176833 -0.42582303 0 0.29867054 2.5282372 571.43371
Loop time of 0.582808 on 1 procs for 10000 steps with 420 atoms Loop time of 0.5843 on 1 procs for 10000 steps with 420 atoms
Pair time (%) = 0.215462 (36.9697) Pair time (%) = 0.212435 (36.3571)
Neigh time (%) = 0.0678575 (11.6432) Neigh time (%) = 0.0655034 (11.2106)
Comm time (%) = 0.0175343 (3.00858) Comm time (%) = 0.0182157 (3.11752)
Outpt time (%) = 0.122674 (21.0489) Outpt time (%) = 0.129425 (22.1505)
Other time (%) = 0.15928 (27.3297) Other time (%) = 0.158721 (27.1643)
Nlocal: 420 ave 420 max 420 min Nlocal: 420 ave 420 max 420 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
......
examples/flow/log.flow.couette.21May08.linux.4 → examples/flow/log.flow.couette.9Jan09.linux.4
+ 7
− 7
View file @ c8632d65
LAMMPS (21 May 2008) LAMMPS (9 Jan 2009)
# 2-d LJ flow simulation # 2-d LJ flow simulation
dimension 2 dimension 2
...@@ -101,13 +101,13 @@ Step Temp E_pair E_mol TotEng Press Volume ...@@ -101,13 +101,13 @@ Step Temp E_pair E_mol TotEng Press Volume
9000 1 -0.43364252 0 0.27826224 2.4244927 571.43371 9000 1 -0.43364252 0 0.27826224 2.4244927 571.43371
9500 1.1269004 -0.48721451 0 0.31503125 2.3601218 571.43371 9500 1.1269004 -0.48721451 0 0.31503125 2.3601218 571.43371
10000 1 -0.50814904 0 0.20375572 2.3234126 571.43371 10000 1 -0.50814904 0 0.20375572 2.3234126 571.43371
Loop time of 3.99854 on 4 procs for 10000 steps with 420 atoms Loop time of 3.61586 on 4 procs for 10000 steps with 420 atoms
Pair time (%) = 0.064626 (1.61624) Pair time (%) = 0.0744421 (2.05876)
Neigh time (%) = 0.0206351 (0.516066) Neigh time (%) = 0.0230048 (0.636219)
Comm time (%) = 3.09756 (77.4671) Comm time (%) = 2.78314 (76.9704)
Outpt time (%) = 0.163689 (4.0937) Outpt time (%) = 0.163739 (4.52835)
Other time (%) = 0.652038 (16.3069) Other time (%) = 0.571535 (15.8063)
Nlocal: 105 ave 116 max 93 min Nlocal: 105 ave 116 max 93 min
Histogram: 1 1 0 0 0 0 0 0 0 2 Histogram: 1 1 0 0 0 0 0 0 0 2
......
examples/flow/log.flow.poiss.21May08.linux.1 → examples/flow/log.flow.poiss.9Jan09.linux.1
+ 7
− 7
View file @ c8632d65
LAMMPS (21 May 2008) LAMMPS (9 Jan 2009)
# 2-d LJ flow simulation # 2-d LJ flow simulation
dimension 2 dimension 2
...@@ -101,13 +101,13 @@ Step Temp E_pair E_mol TotEng Press Volume ...@@ -101,13 +101,13 @@ Step Temp E_pair E_mol TotEng Press Volume
9000 1 -0.79950245 0 -0.087597685 2.5700917 498.68874 9000 1 -0.79950245 0 -0.087597685 2.5700917 498.68874
9500 1.2060053 -0.68460543 0 0.17395548 2.4774286 501.9809 9500 1.2060053 -0.68460543 0 0.17395548 2.4774286 501.9809
10000 1 -0.7187822 0 -0.0068774412 2.1346851 507.66533 10000 1 -0.7187822 0 -0.0068774412 2.1346851 507.66533
Loop time of 0.73335 on 1 procs for 10000 steps with 420 atoms Loop time of 0.758999 on 1 procs for 10000 steps with 420 atoms
Pair time (%) = 0.235934 (32.1721) Pair time (%) = 0.233505 (30.7648)
Neigh time (%) = 0.0389028 (5.3048) Neigh time (%) = 0.0377297 (4.97099)
Comm time (%) = 0.0151122 (2.0607) Comm time (%) = 0.015826 (2.08511)
Outpt time (%) = 0.239849 (32.7059) Outpt time (%) = 0.256442 (33.7868)
Other time (%) = 0.203552 (27.7565) Other time (%) = 0.215497 (28.3923)
Nlocal: 420 ave 420 max 420 min Nlocal: 420 ave 420 max 420 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
......
examples/flow/log.flow.poiss.21May08.linux.4 → examples/flow/log.flow.poiss.9Jan09.linux.4
+ 7
− 7
View file @ c8632d65
LAMMPS (21 May 2008) LAMMPS (9 Jan 2009)
# 2-d LJ flow simulation # 2-d LJ flow simulation
dimension 2 dimension 2
...@@ -101,13 +101,13 @@ Step Temp E_pair E_mol TotEng Press Volume ...@@ -101,13 +101,13 @@ Step Temp E_pair E_mol TotEng Press Volume
9000 1 -0.75920668 0 -0.047301917 2.4592389 508.74337 9000 1 -0.75920668 0 -0.047301917 2.4592389 508.74337
9500 1.2470681 -0.69158384 0 0.1962099 2.1530665 508.86868 9500 1.2470681 -0.69158384 0 0.1962099 2.1530665 508.86868
10000 1 -0.74646656 0 -0.034561799 2.3332271 509.78267 10000 1 -0.74646656 0 -0.034561799 2.3332271 509.78267
Loop time of 4.49466 on 4 procs for 10000 steps with 420 atoms Loop time of 4.35937 on 4 procs for 10000 steps with 420 atoms
Pair time (%) = 0.0739097 (1.64439) Pair time (%) = 0.0800139 (1.83545)
Neigh time (%) = 0.0121227 (0.269713) Neigh time (%) = 0.0141198 (0.323895)
Comm time (%) = 2.82285 (62.8044) Comm time (%) = 2.63028 (60.3363)
Outpt time (%) = 0.281245 (6.25731) Outpt time (%) = 0.310084 (7.11305)
Other time (%) = 1.30454 (29.0242) Other time (%) = 1.32487 (30.3913)
Nlocal: 105 ave 107 max 103 min Nlocal: 105 ave 107 max 103 min
Histogram: 1 0 1 0 0 0 0 1 0 1 Histogram: 1 0 1 0 0 0 0 1 0 1
......
examples/friction/log.friction.21May08.linux.1 → examples/friction/log.friction.9Jan09.linux.1
+ 7
− 7
View file @ c8632d65
LAMMPS (21 May 2008) LAMMPS (9 Jan 2009)
# 2d friction simulation # 2d friction simulation
dimension 2 dimension 2
...@@ -119,13 +119,13 @@ Step Temp E_pair E_mol TotEng Press Volume ...@@ -119,13 +119,13 @@ Step Temp E_pair E_mol TotEng Press Volume
18000 0.11548632 -3.047828 0 -3.0002 -0.31060102 2444.4558 18000 0.11548632 -3.047828 0 -3.0002 -0.31060102 2444.4558
19000 0.10034246 -3.0488263 0 -3.0074438 -0.2527683 2444.4558 19000 0.10034246 -3.0488263 0 -3.0074438 -0.2527683 2444.4558
20000 0.10505024 -3.0494404 0 -3.0061164 -0.31791192 2444.4558 20000 0.10505024 -3.0494404 0 -3.0061164 -0.31791192 2444.4558
Loop time of 10.9957 on 1 procs for 20000 steps with 1724 atoms Loop time of 10.7898 on 1 procs for 20000 steps with 1724 atoms
Pair time (%) = 9.05434 (82.344) Pair time (%) = 9.0117 (83.5207)
Neigh time (%) = 0.448596 (4.07973) Neigh time (%) = 0.441107 (4.08819)
Comm time (%) = 0.0685506 (0.623428) Comm time (%) = 0.0694482 (0.643648)
Outpt time (%) = 0.262556 (2.38779) Outpt time (%) = 0.111281 (1.03136)
Other time (%) = 1.1617 (10.565) Other time (%) = 1.15625 (10.7161)
Nlocal: 1724 ave 1724 max 1724 min Nlocal: 1724 ave 1724 max 1724 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
......
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