Commit 133fbb4d authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@967 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent befd8fee

examples/colloid/in.colloid

+1 −1
Original line number Diff line number Diff line
@@ -39,4 +39,4 @@ thermo 1000 


timestep	0.005



run		10000
 
run		50000

examples/colloid/log.colloid.22Jun07.liberty.4

deleted100644 → 0
+0 −80
Original line number Diff line number Diff line 
LAMMPS (22 June 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		10000

Memory usage per processor = 1.45054 Mbytes

Step Temp E_pair TotEng Press Volume 

       0         1.44            0       1.4376    0.0009584       900000 

    1000    1.8470142 0.0048357172    1.8487715  0.017163086    74830.331 

    2000    1.9719939   0.18486401    2.1535713   0.79205274    4710.4215 

    3000    1.8512583   0.19478206    2.0429549    1.2638229     3348.993 

    4000    2.0197762  0.085599862    2.1020098   0.44423307    6289.5217 

    5000    2.1100188  0.066582351    2.1730844   0.30071147    7797.8952 

    6000     2.122322  0.080537323    2.1993221   0.47114461    5829.3235 

    7000    2.0053017   0.17924225    2.1812018   0.82372251    4418.5393 

    8000    1.9850765   0.16081341    2.1425814   0.86380905    4218.1246 

    9000    2.0229633   0.14063325    2.1602249    0.8620141    4223.7169 

   10000    2.0133665   0.16380502     2.173816   0.95385436    3995.0006 

Loop time of 4.86636 on 4 procs for 10000 steps with 900 atoms



Pair  time (%) = 1.32706 (27.27)

Neigh time (%) = 0.274084 (5.63221)

Comm  time (%) = 1.98481 (40.7863)

Outpt time (%) = 0.0898068 (1.84546)

Other time (%) = 1.1906 (24.466)



Nlocal:    225 ave 232 max 218 min

Histogram: 1 0 0 0 0 2 0 0 0 1

Nghost:    411.5 ave 428 max 388 min

Histogram: 1 0 0 0 1 0 0 0 0 2

Neighs:    2307 ave 2410 max 2183 min

Histogram: 1 0 1 0 0 0 0 0 0 2



Total # of neighbors = 9228

Ave neighs/atom = 10.2533

Neighbor list builds = 773

Dangerous builds = 0

examples/colloid/log.colloid.22Jun07.linux.1

deleted100644 → 0
+0 −80
Original line number Diff line number Diff line 
LAMMPS (22 June 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		10000

Memory usage per processor = 1.47629 Mbytes

Step Temp E_pair TotEng Press Volume 

       0         1.44            0       1.4376    0.0009584       900000 

    1000    1.8470142 0.0048357172    1.8487715  0.017163086    74830.331 

    2000    1.9719939   0.18486401    2.1535713   0.79205271    4710.4215 

    3000    1.8760117   0.16888745    2.0417724    1.2866805    3349.4362 

    4000    2.0084889   0.10591744    2.1110589   0.41080478     6315.195 

    5000    2.0845189  0.074837406    2.1558821   0.32123703    7787.3569 

    6000    2.0635646   0.12699208    2.1871174   0.55212245    5811.0643 

    7000    2.0511741   0.13194486    2.1797003   0.75534937    4447.7483 

    8000    2.0057569   0.14524464    2.1476586   0.93321505     4260.455 

    9000    1.9863917   0.16294985    2.1460309   0.85687596    4264.0791 

   10000    1.9867944   0.17403524    2.1575183     1.019418    3985.5163 

Loop time of 13.1171 on 1 procs for 10000 steps with 900 atoms



Pair  time (%) = 8.49344 (64.7507)

Neigh time (%) = 1.7079 (13.0204)

Comm  time (%) = 0.409296 (3.12032)

Outpt time (%) = 0.224203 (1.70924)

Other time (%) = 2.28229 (17.3993)



Nlocal:    900 ave 900 max 900 min

Histogram: 1 0 0 0 0 0 0 0 0 0

Nghost:    648 ave 648 max 648 min

Histogram: 1 0 0 0 0 0 0 0 0 0

Neighs:    9057 ave 9057 max 9057 min

Histogram: 1 0 0 0 0 0 0 0 0 0



Total # of neighbors = 9057

Ave neighs/atom = 10.0633

Neighbor list builds = 777

Dangerous builds = 0

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

0 → 100644
+120 −0
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

0 → 100644
+120 −0
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

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