git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3691 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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examples/colloid/log.colloid.15Jan10.linux.1
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examples/colloid/log.colloid.15Jan10.linux.1
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LAMMPS (15 Jan 2010)
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# Big colloid particles and small LJ particles
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units lj
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atom_style atomic
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dimension 2
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lattice sq 0.01
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Lattice spacing in x,y,z = 10 10 10
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region box block 0 30 0 30 -0.5 0.5
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create_box 2 box
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Created orthogonal box = (0 0 -5) to (300 300 5)
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1 by 1 by 1 processor grid
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create_atoms 1 box
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Created 900 atoms
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set group all type/fraction 2 0.96 23984
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861 settings made for type/fraction
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mass 1 9
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mass 2 1
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velocity all create 1.44 87287 loop geom
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# multi neighbor and comm for efficiency
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neighbor 1 multi
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neigh_modify delay 0
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communicate multi
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# colloid potential
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pair_style colloid 12.5
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pair_coeff 1 1 1.0 1.0 5.0 5.0 12.5
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pair_coeff 1 2 5.0 1.0 5.0 0.0 7.0
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pair_coeff 2 2 10.0 1.0 0.0 0.0 2.5
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fix 1 all npt 2.0 2.0 1.0 xyz 0.0 1.0 10.0 drag 1.0
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fix 2 all enforce2d
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dump 1 all atom 200 dump.colloid
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thermo_style custom step temp epair etotal press vol
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thermo 1000
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timestep 0.005
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run 50000
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Memory usage per processor = 1.84805 Mbytes
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Step Temp E_pair TotEng Press Volume
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0 1.44 -2.2136534e-06 1.4383978 0.014383923 90000
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1000 1.7234872 0.00099573088 1.722568 0.015516409 101033.02
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2000 1.9974361 0.0027373053 1.9979541 0.018869215 99044.293
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3000 2.116115 0.0064857798 2.1202495 0.029970575 68999.265
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4000 2.0978894 0.0081401736 2.1036985 0.049192217 41664.559
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5000 2.0428684 -0.00010722124 2.0404914 0.069391752 27239.613
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6000 2.0019359 0.0031628998 2.0028745 0.094013179 20369.423
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7000 1.9859909 0.0083584854 1.9921427 0.11907545 16950.719
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8000 1.9844995 0.018823846 2.0011183 0.15140382 14935.157
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9000 2.0136412 0.0025888284 2.0139927 0.1508535 13559.132
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10000 2.024979 -0.0013617278 2.0213673 0.15704325 12420.294
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11000 2.0057261 0.014666062 2.0181636 0.19581308 11367.173
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12000 1.9956708 0.027177644 2.0206311 0.21321459 10459.36
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13000 1.997959 0.021344943 2.0170839 0.22767396 9688.7235
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14000 2.0053139 0.018752845 2.0218386 0.23937083 9035.5752
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15000 2.0080175 0.016121788 2.0219082 0.27453929 8472.6599
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16000 2.0134958 0.017190654 2.0284492 0.29545011 8018.8828
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17000 1.9948094 0.030593329 2.0231862 0.31639324 7660.0205
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18000 1.9888692 0.03866718 2.0253265 0.37624499 7343.9859
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19000 2.0178864 0.015784628 2.0314289 0.36208151 7023.858
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20000 1.9974336 0.034034531 2.0292487 0.36977001 6766.9639
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21000 2.0075467 0.027457169 2.0327733 0.39171127 6515.3658
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22000 1.9776525 0.056409217 2.0318644 0.45665965 6308.0579
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23000 1.9868859 0.05125969 2.035938 0.45997816 6086.0284
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24000 2.025575 0.024864929 2.0481893 0.4614688 5877.2914
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25000 2.0229719 0.02993936 2.0506635 0.43975465 5678.5742
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26000 2.0116839 0.040441814 2.0498905 0.56364223 5510.9392
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27000 1.9927671 0.056780401 2.0473333 0.5435277 5418.0519
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28000 2.0002455 0.048430948 2.0464539 0.54245177 5293.9817
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29000 2.0027552 0.045188838 2.0457187 0.59393189 5149.2915
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30000 2.0110981 0.04212224 2.0509858 0.53983977 5024.1603
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31000 2.0103074 0.040614839 2.0486886 0.59127674 4968.3476
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32000 2.0131878 0.034850997 2.0458019 0.54445776 4887.6392
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33000 1.9795396 0.06888144 2.0462216 0.65710066 4759.8655
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34000 2.0089206 0.044451973 2.0511405 0.61216346 4649.6158
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35000 1.9852871 0.070975603 2.0540568 0.67074703 4575.8914
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36000 1.9955339 0.069823373 2.06314 0.6720079 4498.8166
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37000 2.0204607 0.039300432 2.0575161 0.60707297 4445.1332
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38000 2.0066321 0.049640648 2.0540432 0.67871134 4366.3923
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39000 1.9985924 0.072532872 2.0689046 0.77767565 4275.8245
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40000 1.9910609 0.092339589 2.0811882 0.87608554 4203.2838
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41000 1.9860042 0.10022021 2.0840177 0.86512783 4157.403
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42000 2.0155072 0.068809689 2.0820775 0.80227153 4104.6347
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43000 1.9766433 0.098409454 2.0728565 0.90326816 4041.9332
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44000 1.9849649 0.075124531 2.0578839 0.90303861 3977.2148
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45000 2.016926 0.053835025 2.06852 0.93357872 3939.6486
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46000 2.0139764 0.062641204 2.0743798 0.92342056 3885.512
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47000 2.00577 0.07951429 2.0830556 0.91383738 3864.1237
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48000 2.0129787 0.091650954 2.102393 0.87567088 3815.2512
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49000 2.0113794 0.085651277 2.0947959 0.8792936 3790.0177
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50000 2.0081683 0.088519221 2.0944563 0.96671733 3739.3343
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Loop time of 12.9281 on 1 procs for 50000 steps with 900 atoms
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Pair time (%) = 7.46432 (57.7373)
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Neigh time (%) = 1.48375 (11.477)
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Comm time (%) = 0.328302 (2.53945)
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Outpt time (%) = 0.343754 (2.65898)
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Other time (%) = 3.30794 (25.5873)
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Nlocal: 900 ave 900 max 900 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 604 ave 604 max 604 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 6045 ave 6045 max 6045 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 6045
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Ave neighs/atom = 6.71667
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Neighbor list builds = 2774
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Dangerous builds = 0
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