(fd0e4046) · Commits · 郑智淋 / lammps

examples/colloid/log.colloid.22Jan08.linux.1

0 → 100644

+120 −0

Original line number	Diff line number	Diff line
		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

examples/colloid/log.colloid.22Jan08.linux.4

0 → 100644

+120 −0

Original line number	Diff line number	Diff line
		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

examples/colloid/log.colloid.5Oct07.linux.1

deleted100644 → 0

+0 −120

Original line number	Diff line number	Diff line
		LAMMPS (5 Oct 2007)
		# Big colloid particles and small LJ particles

		units lj
		atom_style atomic
		dimension 2

		lattice sq 0.01
		Lattice spacing in x,y,z = 10 10 10
		region box block 0 30 0 30 -0.5 0.5
		create_box 2 box
		Created orthogonal box = (0 0 -5) to (300 300 5)
		1 by 1 by 1 processor grid
		create_atoms 1 box
		Created 900 atoms

		set group all type/fraction 2 0.96 23984
		868 settings made for type/fraction

		mass 1 9
		mass 2 1

		velocity all create 1.44 87287 loop geom

		# multi neighbor and comm for efficiency

		neighbor 1 multi
		neigh_modify delay 0
		communicate multi

		# colloid potential

		pair_style colloid 12.5
		pair_coeff 1 1 1.0 1.0 5.0 5.0 12.5
		pair_coeff 1 2 5.0 1.0 5.0 0.0 7.0
		pair_coeff 2 2 10.0 1.0 0.0 0.0 2.5

		fix 1 all npt 2.0 2.0 1.0 xyz 0.0 1.0 10.0 drag 1.0
		fix 2 all enforce2d

		dump 1 all atom 200 dump.colloid

		thermo_style custom step temp epair etotal press vol
		thermo 1000

		timestep 0.005

		run 50000
		Memory usage per processor = 1.50473 Mbytes
		Step Temp E_pair TotEng Press Volume
		0 1.44 0 1.4376 0.014376 90000
		1000 1.7229304 -0.00015669053 1.7199022 0.015318085 100904.47
		2000 1.9967588 0.0020777128 1.9955085 0.018297171 98746.175
		3000 2.1202073 0.00084628342 2.1175199 0.028086414 68843.26
		4000 2.1015115 0.0038976621 2.1019067 0.049667096 41498.626
		5000 2.0412605 -0.00055303189 2.0373053 0.074449455 27116.088
		6000 1.9976914 0.0074115979 2.0017735 0.096914589 20386.028
		7000 1.9983723 0.0036979337 1.9987396 0.11352975 16956.776
		8000 1.9915215 0.015325051 2.0035274 0.13427318 14870.472
		9000 2.0013903 0.010272573 2.0083272 0.15672322 13407.529
		10000 2.0146415 -0.0021407461 2.009143 0.16517555 12233.484
		11000 1.9916467 0.0061066643 1.994434 0.18129828 11189.037
		12000 1.98785 0.019810319 2.0043473 0.21980579 10263.222
		13000 2.0127132 0.0088877002 2.0182464 0.21501025 9491.7009
		14000 1.9913332 0.027995115 2.0160095 0.29260961 8836.5762
		15000 2.011823 0.014284134 2.0227541 0.2875531 8274.3305
		16000 2.0107622 0.011449596 2.0188606 0.30513433 7838.3386
		17000 1.9980983 0.018919479 2.0136877 0.30831644 7458.3796
		18000 2.0006615 0.02010257 2.0174296 0.33711019 7101.9718
		19000 2.0146677 0.018388754 2.0296986 0.38350473 6824.606
		20000 1.991312 0.042232971 2.0302261 0.40707294 6563.9843
		21000 2.0208539 0.0094531214 2.0269389 0.39661249 6295.8677
		22000 1.9909141 0.038902855 2.0264988 0.43460586 6066.4294
		23000 2.005339 0.024497042 2.0264938 0.42002103 5898.8857
		24000 1.9812291 0.04602497 2.023952 0.46678213 5730.1522
		25000 2.0064116 0.030650951 2.0337185 0.478538 5527.8418
		26000 1.9865132 0.061319527 2.0445218 0.52290425 5355.6377
		27000 2.0013895 0.038637962 2.0366918 0.52759689 5227.2617
		28000 1.9940928 0.037916944 2.0286863 0.52180257 5100.6314
		29000 1.9946357 0.036831074 2.0281424 0.56925044 4943.6745
		30000 1.9919808 0.033232657 2.0218935 0.6555772 4803.268
		31000 1.9532441 0.074836486 2.0248252 0.61929321 4736.9445
		32000 2.0194145 0.02267509 2.0387239 0.59196318 4676.905
		33000 1.9982419 0.037190451 2.0321019 0.61844932 4593.3009
		34000 2.0105117 0.033623411 2.0407843 0.63550924 4489.0435
		35000 2.0088788 0.044076555 2.0496073 0.68122455 4369.1336
		36000 1.9986335 0.05798169 2.0532841 0.72126511 4278.5347
		37000 1.9817447 0.076628479 2.0550703 0.82568475 4228.7256
		38000 2.0355107 0.03663577 2.068754 0.69994646 4168.2216
		39000 1.9813989 0.077642991 2.0557395 0.74712271 4108.7097
		40000 2.02985 0.018054949 2.0445219 0.73244199 4053.749
		41000 1.9980839 0.041648523 2.0364022 0.8918399 4003.826
		42000 1.9957137 0.061952166 2.0543397 0.82718027 3922.9382
		43000 2.0095254 0.043542722 2.0497189 0.86824556 3858.6497
		44000 1.9897663 0.061999495 2.0484495 0.78993338 3806.2668
		45000 1.9877427 0.072335929 2.0567657 0.85855742 3762.6739
		46000 2.013597 0.05214842 2.0623894 0.87845503 3735.9028
		47000 1.9939167 0.0648104 2.0554039 0.82658529 3706.4343
		48000 2.0205894 0.045267254 2.062489 0.87730466 3658.3005
		49000 1.9641292 0.088922667 2.0497783 0.98253029 3582.148
		50000 2.0000443 0.059295597 2.0560065 0.96488274 3540.7444
		Loop time of 13.4223 on 1 procs for 50000 steps with 900 atoms

		Pair time (%) = 7.80901 (58.1795)
		Neigh time (%) = 1.61124 (12.0042)
		Comm time (%) = 0.398404 (2.96823)
		Outpt time (%) = 0.316924 (2.36118)
		Other time (%) = 3.28671 (24.4869)

		Nlocal: 900 ave 900 max 900 min
		Histogram: 1 0 0 0 0 0 0 0 0 0
		Nghost: 559 ave 559 max 559 min
		Histogram: 1 0 0 0 0 0 0 0 0 0
		Neighs: 6061 ave 6061 max 6061 min
		Histogram: 1 0 0 0 0 0 0 0 0 0

		Total # of neighbors = 6061
		Ave neighs/atom = 6.73444
		Neighbor list builds = 2793
		Dangerous builds = 0

examples/colloid/log.colloid.5Oct07.linux.4

deleted100644 → 0

+0 −120

Original line number	Diff line number	Diff line
		LAMMPS (5 Oct 2007)
		# Big colloid particles and small LJ particles

		units lj
		atom_style atomic
		dimension 2

		lattice sq 0.01
		Lattice spacing in x,y,z = 10 10 10
		region box block 0 30 0 30 -0.5 0.5
		create_box 2 box
		Created orthogonal box = (0 0 -5) to (300 300 5)
		2 by 2 by 1 processor grid
		create_atoms 1 box
		Created 900 atoms

		set group all type/fraction 2 0.96 23984
		868 settings made for type/fraction

		mass 1 9
		mass 2 1

		velocity all create 1.44 87287 loop geom

		# multi neighbor and comm for efficiency

		neighbor 1 multi
		neigh_modify delay 0
		communicate multi

		# colloid potential

		pair_style colloid 12.5
		pair_coeff 1 1 1.0 1.0 5.0 5.0 12.5
		pair_coeff 1 2 5.0 1.0 5.0 0.0 7.0
		pair_coeff 2 2 10.0 1.0 0.0 0.0 2.5

		fix 1 all npt 2.0 2.0 1.0 xyz 0.0 1.0 10.0 drag 1.0
		fix 2 all enforce2d

		dump 1 all atom 200 dump.colloid

		thermo_style custom step temp epair etotal press vol
		thermo 1000

		timestep 0.005

		run 50000
		Memory usage per processor = 1.38397 Mbytes
		Step Temp E_pair TotEng Press Volume
		0 1.44 0 1.4376 0.014376 90000
		1000 1.7229304 -0.00015669053 1.7199022 0.015318085 100904.47
		2000 1.9967588 0.0020777128 1.9955085 0.018297171 98746.175
		3000 2.1202073 0.00084628342 2.1175199 0.028086414 68843.26
		4000 2.1015115 0.0038976621 2.1019067 0.049667096 41498.626
		5000 2.0412605 -0.00055303273 2.0373053 0.074449455 27116.088
		6000 1.9976923 0.0074104772 2.0017732 0.096914266 20386.029
		7000 1.9985387 0.0036033736 1.9988111 0.1134532 16956.875
		8000 1.9968131 0.0066191941 2.0001043 0.13936849 14856.781
		9000 2.0116478 0.0091279265 2.017423 0.14943756 13350.258
		10000 1.995529 0.021846474 2.0140496 0.1797053 12161.967
		11000 2.0007913 0.0083610476 2.0058177 0.19355061 11180.478
		12000 1.9990215 0.012442077 2.0081319 0.21432955 10258.03
		13000 2.0119162 0.0097697341 2.0183328 0.24344379 9488.4097
		14000 2.0071517 0.01123161 2.015038 0.26617291 8851.9854
		15000 2.0164599 0.0043535711 2.0174527 0.26327727 8337.1228
		16000 1.9939211 0.018284721 2.0088826 0.28639791 7868.2338
		17000 1.9994696 0.0139029 2.01004 0.31146407 7435.9099
		18000 2.0105768 0.022014389 2.0292402 0.37565593 7107.63
		19000 2.0241137 0.017983125 2.0387233 0.35000991 6845.2682
		20000 2.0027231 0.025233952 2.0246191 0.41714655 6588.2364
		21000 2.0139047 0.015929062 2.0264773 0.39101346 6322.3272
		22000 2.0188343 0.019474932 2.0349445 0.40689058 6067.8792
		23000 1.9968998 0.017049306 2.0106209 0.42441698 5885.9917
		24000 1.9913995 0.022023169 2.0101037 0.49276546 5713.8287
		25000 2.0282271 0.0010811866 2.0259279 0.43846627 5535.1617
		26000 1.99007 0.037451308 2.0242046 0.51153606 5374.4974
		27000 2.0032103 0.02793327 2.0278049 0.53287006 5246.9824
		28000 2.0012016 0.031183734 2.02905 0.49026667 5103.936
		29000 1.9921192 0.033101665 2.0219007 0.56679853 4945.3262
		30000 2.0112942 0.028974887 2.0369169 0.59607886 4811.7925
		31000 2.0068077 0.033866848 2.0373299 0.57936336 4720.1126
		32000 1.9796234 0.062198621 2.0385226 0.66287681 4636.0262
		33000 2.0008592 0.037115927 2.0346403 0.64171308 4542.6751
		34000 2.0312988 0.019280094 2.0471934 0.60599935 4444.4538
		35000 1.998235 0.048493255 2.0433979 0.69883437 4366.7212
		36000 2.0108358 0.036898896 2.0443833 0.8189753 4304.603
		37000 2.0193723 0.035454333 2.051461 0.71428244 4229.3292
		38000 1.9977656 0.053908975 2.048345 0.74599208 4168.8054
		39000 1.9910258 0.053411944 2.0411194 1.0020227 4135.5413
		40000 2.0068958 0.062820555 2.0663716 0.7380476 4077.369
		41000 2.0151378 0.044268277 2.0560475 0.7815389 3971.5744
		42000 1.9899084 0.06823508 2.054827 0.88353238 3899.603
		43000 1.995483 0.054557002 2.0467142 0.87798264 3861.8059
		44000 1.9672099 0.065595401 2.0295266 1.0402091 3811.7046
		45000 1.991365 0.046768622 2.0348147 0.86054084 3788.9404
		46000 1.9565876 0.079004276 2.0323309 1.0350984 3725.8947
		47000 2.0092594 0.057752764 2.0636634 0.83469987 3652.7366
		48000 2.014792 0.046218596 2.0576526 0.9098087 3628.3485
		49000 2.0035173 0.065852566 2.0660307 0.94870248 3574.256
		50000 2.0196028 0.065457163 2.0816939 0.92720759 3546.5336
		Loop time of 31.5797 on 4 procs for 50000 steps with 900 atoms

		Pair time (%) = 2.09001 (6.61822)
		Neigh time (%) = 0.416893 (1.32013)
		Comm time (%) = 16.7082 (52.9078)
		Outpt time (%) = 0.340365 (1.0778)
		Other time (%) = 12.0243 (38.076)

		Nlocal: 225 ave 241 max 214 min
		Histogram: 1 1 0 0 1 0 0 0 0 1
		Nghost: 320 ave 340 max 303 min
		Histogram: 1 0 0 1 1 0 0 0 0 1
		Neighs: 1494 ave 1550 max 1375 min
		Histogram: 1 0 0 0 0 0 0 1 0 2

		Total # of neighbors = 5976
		Ave neighs/atom = 6.64
		Neighbor list builds = 2762
		Dangerous builds = 0

examples/crack/log.crack.5Oct07.linux.1→examples/crack/log.crack.22Jan08.linux.1

+8 −8

Original line number	Diff line number	Diff line
		LAMMPS (5 Oct 2007)
		LAMMPS (22 Jan 2008)
		# 2d LJ crack simulation

		dimension 2
		@@ -80,7 +80,7 @@ thermo_modify temp new
		neigh_modify exclude type 2 3
		dump 1 all atom 500 dump.crack
		run 5000
		Memory usage per processor = 1.94786 Mbytes
		Memory usage per processor = 1.98601 Mbytes
		Step Temp E_pair E_mol TotEng Press Volume
		0 0.065655433 -3.2595015 0 -3.1987293 -0.036254085 8602.1883
		200 0.060090071 -3.2531939 0 -3.1975731 -0.23134429 8635.3999
		@@ -108,13 +108,13 @@ Step Temp E_pair E_mol TotEng Press Volume
		4600 0.086772028 -3.0437629 0 -2.9634447 -1.0212674 9358.4354
		4800 0.088200815 -3.0328504 0 -2.9512097 -1.027596 9392.0468
		5000 0.08942145 -3.0228831 0 -2.9401125 -1.0219214 9432.5895
		Loop time of 12.9899 on 1 procs for 5000 steps with 8141 atoms
		Loop time of 12.9137 on 1 procs for 5000 steps with 8141 atoms

		Pair time (%) = 11.1566 (85.8867)
		Neigh time (%) = 0.3929 (3.02466)
		Comm time (%) = 0.00858808 (0.0661137)
		Outpt time (%) = 0.113567 (0.874275)
		Other time (%) = 1.31825 (10.1483)
		Pair time (%) = 11.1063 (86.0039)
		Neigh time (%) = 0.387242 (2.99868)
		Comm time (%) = 0.0083847 (0.0649286)
		Outpt time (%) = 0.112896 (0.874232)
		Other time (%) = 1.2989 (10.0583)

		Nlocal: 8141 ave 8141 max 8141 min
		Histogram: 1 0 0 0 0 0 0 0 0 0

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