Updating examples
This commit is contained in:
Joel Clemmer
@ -1,5 +1,5 @@
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LAMMPS (30 Nov 2020)
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OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:95)
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LAMMPS (24 Dec 2020)
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OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:97)
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using 1 OpenMP thread(s) per MPI task
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# Big colloid particles and small LJ particles
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@ -51,9 +51,9 @@ 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 #/old
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neigh_modify delay 0
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comm_modify mode multi vel yes
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neighbor 1 multi #multi/old
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neigh_modify delay 0 collection/interval 2 1 20
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comm_modify mode multi vel yes reduce/multi #multi/old
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# colloid potential
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@ -64,7 +64,7 @@ fix 1 all nph/sphere iso 0.0 1.0 10.0 drag 1.0
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fix 2 all enforce2d
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fix 3 all deform 1 xy erate 1e-3
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dump 1 all custom 1000 dump.granular id x y z radius
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#dump 1 all custom 1000 dump.granular id x y z radius
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#dump 2 all image 1000 image.*.jpg type type # zoom 1.5 center d 0.5 0.5 0.5
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#dump_modify 2 pad 5 adiam 1 5.0 adiam 2 1.5
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@ -90,86 +90,86 @@ Neighbor list info ...
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pair build: half/size/multi/newton/tri
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stencil: half/multi/2d/tri
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bin: multi
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Per MPI rank memory allocation (min/avg/max) = 11.78 | 11.78 | 11.78 Mbytes
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Per MPI rank memory allocation (min/avg/max) = 10.29 | 10.29 | 10.29 Mbytes
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Step Temp E_pair TotEng Press Volume
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0 1.44 0 1.4395623 0.66837658 7200
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1000 0.32273428 0 0.32263619 0.17174972 7859.8897
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2000 0.12441598 0 0.12437817 0.067078155 8212.9946
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3000 0.067389284 0 0.067368801 0.040425551 8336.7112
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4000 0.044312733 0 0.044299264 0.028220228 8229.0658
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5000 0.032702163 0 0.032692223 0.024302012 7931.1298
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6000 0.025856 0 0.025848141 0.021241317 7603.5534
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7000 0.021437473 0 0.021430957 0.019285494 7243.5757
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8000 0.018129567 0 0.018124057 0.020738727 6877.4816
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9000 0.016370159 0 0.016365184 0.020261904 6515.3445
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10000 0.01500918 0 0.015004618 0.020551803 6160.4475
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11000 0.014156551 0 0.014152248 0.021324815 5815.4665
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12000 0.013725406 0 0.013721235 0.021159958 5483.6304
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13000 0.013215746 0 0.013211729 0.021685712 5165.4758
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14000 0.012398153 0 0.012394384 0.024155434 4862.8657
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15000 0.011842796 0 0.011839196 0.028503991 4577.9008
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16000 0.011433182 0 0.011429706 0.033564839 4309.8792
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17000 0.011166574 0 0.01116318 0.040592677 4058.9964
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18000 0.01100067 0 0.010997326 0.04899206 3825.155
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19000 0.010224474 0 0.010221366 0.063670337 3607.6577
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20000 0.0091360559 0 0.0091332789 0.088230111 3408.5658
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21000 0.007733647 0 0.0077312964 0.11769368 3227.7002
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22000 0.0060202358 0 0.0060184059 0.15272491 3064.3986
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23000 0.004670574 0 0.0046691543 0.19450724 2918.0014
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24000 0.0040248313 0 0.004023608 0.24161742 2788.4113
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25000 0.0032075275 0 0.0032065526 0.2897693 2674.5604
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26000 0.0021358024 0 0.0021351532 0.33635617 2574.9564
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27000 0.0016902752 0 0.0016897614 0.37624266 2487.2379
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28000 0.0014038218 0 0.0014033951 0.41492104 2409.2461
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29000 0.00090262506 0 0.0009023507 0.45392905 2340.0308
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30000 0.00049466342 0 0.00049451306 0.49295072 2279.2316
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31000 0.00056998139 0 0.00056980815 0.53299515 2226.5683
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32000 0.00057326945 0 0.0005730952 0.56856537 2181.7092
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33000 0.00044845112 0 0.00044831481 0.59623471 2142.7573
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34000 0.00059840183 0 0.00059821994 0.61758983 2107.1253
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35000 0.00075310993 0 0.00075288103 0.63756827 2072.7217
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36000 0.00053774066 0 0.00053757721 0.66026064 2039.1655
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37000 0.00030440106 0 0.00030430853 0.69059102 2007.7903
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38000 0.00034436264 0 0.00034425797 0.72166344 1980.7137
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39000 0.00039693498 0 0.00039681433 0.74680327 1957.9531
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40000 0.00035425567 0 0.000354148 0.76604186 1937.3834
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41000 0.0003094733 0 0.00030937924 0.78323163 1916.7027
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42000 0.00027259246 0 0.0002725096 0.80315535 1895.0714
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43000 0.00020659817 0 0.00020653538 0.8274603 1873.5407
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44000 0.00016023333 0 0.00016018463 0.85418969 1853.8674
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45000 0.00016111931 0 0.00016107034 0.87913944 1837.1141
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46000 0.00016130888 0 0.00016125985 0.89921705 1822.7354
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47000 0.00015755049 0 0.0001575026 0.91653538 1809.0285
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48000 0.00017794781 0 0.00017789372 0.93582908 1794.7041
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49000 0.00018878437 0 0.00018872699 0.95775203 1780.032
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50000 0.0001778042 0 0.00017775016 0.97893714 1765.9439
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Loop time of 77.4487 on 1 procs for 50000 steps with 3290 atoms
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1000 0.32604952 0 0.32595042 0.17341597 7862.5013
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2000 0.12631038 0 0.12627198 0.069126477 8216.6956
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3000 0.069351715 0 0.069330635 0.040799593 8344.1931
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4000 0.045023755 0 0.04501007 0.029184795 8239.1832
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5000 0.032735149 0 0.0327252 0.025640841 7943.5691
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6000 0.026205227 0 0.026197262 0.021206924 7617.6672
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7000 0.02165475 0 0.021648168 0.018789365 7255.2897
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8000 0.018299317 0 0.018293755 0.019272158 6887.3386
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9000 0.016283763 0 0.016278813 0.020434892 6524.0274
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10000 0.015148918 0 0.015144313 0.021650465 6168.4941
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11000 0.014180465 0 0.014176155 0.022320009 5823.98
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12000 0.013505744 0 0.013501639 0.023978674 5492.4853
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13000 0.013009585 0 0.01300563 0.024391329 5175.7455
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14000 0.012494373 0 0.012490576 0.027331543 4874.3212
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15000 0.012057669 0 0.012054004 0.030561239 4589.518
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16000 0.011510988 0 0.01150749 0.034613772 4321.1694
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17000 0.011198594 0 0.01119519 0.042263536 4070.0115
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18000 0.010978603 0 0.010975266 0.053637275 3836.0304
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19000 0.010768789 0 0.010765516 0.069472547 3619.75
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20000 0.0102256 0 0.010222492 0.085332898 3420.2738
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21000 0.0089630315 0 0.0089603072 0.11199196 3236.9821
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22000 0.006565581 0 0.0065635854 0.14807426 3071.3012
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23000 0.0050916998 0 0.0050901522 0.1903446 2923.4162
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24000 0.0040345997 0 0.0040333734 0.237983 2792.2658
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25000 0.0032995328 0 0.0032985299 0.29120001 2677.7475
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26000 0.0024157863 0 0.002415052 0.33851944 2578.4972
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27000 0.0020664445 0 0.0020658164 0.37561848 2491.0264
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28000 0.0017843883 0 0.0017838459 0.41119961 2412.3871
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29000 0.0011813262 0 0.0011809672 0.44749341 2341.7208
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30000 0.00063084711 0 0.00063065536 0.4879202 2279.0452
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31000 0.00056027405 0 0.00056010376 0.52932126 2224.9456
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32000 0.00053304715 0 0.00053288513 0.56822504 2179.1224
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33000 0.00052245707 0 0.00052229826 0.60025509 2140.5345
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34000 0.00073726189 0 0.0007370378 0.62001489 2106.3045
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35000 0.00075804791 0 0.0007578175 0.6359631 2072.525
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36000 0.00052579203 0 0.00052563222 0.65678516 2038.1907
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37000 0.00036977909 0 0.0003696667 0.68784389 2005.5831
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38000 0.00036252798 0 0.00036241779 0.72116044 1977.7441
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39000 0.00036254566 0 0.00036243547 0.74720837 1954.9127
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40000 0.00036237175 0 0.00036226161 0.76605408 1934.6006
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41000 0.00032453104 0 0.00032443239 0.78424188 1914.1939
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42000 0.00025394755 0 0.00025387036 0.80529272 1893.064
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43000 0.00021067821 0 0.00021061418 0.82962095 1872.365
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44000 0.00017927684 0 0.00017922235 0.85522899 1853.531
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45000 0.0001464225 0 0.000146378 0.87925998 1837.2423
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46000 0.00012922979 0 0.00012919051 0.8986549 1822.9227
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47000 0.0001643557 0 0.00016430575 0.91743602 1809.0605
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48000 0.00020154753 0 0.00020148627 0.93686779 1794.9227
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49000 0.00017742528 0 0.00017737135 0.94988773 1780.3811
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50000 0.00015150521 0 0.00015145916 0.97929588 1764.7507
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Loop time of 54.9135 on 1 procs for 50000 steps with 3290 atoms
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Performance: 278894.354 tau/day, 645.589 timesteps/s
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Performance: 393345.914 tau/day, 910.523 timesteps/s
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100.0% CPU use with 1 MPI tasks x 1 OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 60.017 | 60.017 | 60.017 | 0.0 | 77.49
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Neigh | 0.47 | 0.47 | 0.47 | 0.0 | 0.61
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Comm | 6.6765 | 6.6765 | 6.6765 | 0.0 | 8.62
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Output | 0.24799 | 0.24799 | 0.24799 | 0.0 | 0.32
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Modify | 8.8677 | 8.8677 | 8.8677 | 0.0 | 11.45
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Other | | 1.17 | | | 1.51
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Pair | 44.691 | 44.691 | 44.691 | 0.0 | 81.38
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Neigh | 0.21653 | 0.21653 | 0.21653 | 0.0 | 0.39
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Comm | 0.75388 | 0.75388 | 0.75388 | 0.0 | 1.37
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Output | 0.0011999 | 0.0011999 | 0.0011999 | 0.0 | 0.00
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Modify | 8.4718 | 8.4718 | 8.4718 | 0.0 | 15.43
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Other | | 0.7794 | | | 1.42
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Nlocal: 3290.00 ave 3290 max 3290 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 6295.00 ave 6295 max 6295 min
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Nghost: 525.000 ave 525 max 525 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 53729.0 ave 53729 max 53729 min
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Neighs: 26732.0 ave 26732 max 26732 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 53729
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Ave neighs/atom = 16.331003
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Neighbor list builds = 348
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Total # of neighbors = 26732
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Ave neighs/atom = 8.1252280
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Neighbor list builds = 342
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Dangerous builds = 0
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Please see the log.cite file for references relevant to this simulation
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Total wall time: 0:01:17
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Total wall time: 0:00:54
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