forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15034 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
parent
64b58c743f
commit
b0eea89503
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# RDX coarse-grain model
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log log.multi-lucy
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units metal # ev, ps
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atom_style dpd
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atom_modify map array
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lattice hcp 6.6520898 origin 0.0833333333333 0.25 0.25 orient z 1 0 0 orient x 0 1 0 orient y 0 0 1
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variable xrep equal 10.0
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variable yrep equal 10.0
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variable zrep equal 10.0
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region box block 0 ${xrep} 0 ${yrep} 0.0 ${zrep} units lattice
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create_box 2 box
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region atoms block 0 ${xrep} 0 ${yrep} 0.0 ${zrep} units lattice
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create_atoms 1 region atoms
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variable newx equal xhi*0.99998623082367843
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variable newy equal yhi*0.96972098958539854
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change_box all x final 0.0 ${newx} y final 0.0 ${newy} remap units box
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comm_modify vel yes
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mass * 222.12
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timestep 0.01
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pair_style multi/lucy linear 74923
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pair_coeff * * table.multibody KEYWORD 16.00
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fix 2 all nve
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neighbor 0.0 bin
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neigh_modify every 1 delay 0 check no once no
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variable totEnergy equal pe+ke
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thermo 1
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thermo_style custom step temp press vol pe ke v_totEnergy pxx pyy pzz lx ly lz
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thermo_modify format float %15.8f flush yes
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velocity all create 300.00 9198783 mom yes rot yes dist gaussian
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run 100
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@ -0,0 +1,192 @@
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units metal # ev, ps
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atom_style dpd
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atom_modify map array
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lattice hcp 6.6520898 origin 0.0833333333333 0.25 0.25 orient z 1 0 0 orient x 0 1 0 orient y 0 0 1
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Lattice spacing in x,y,z = 11.5218 10.8628 6.65209
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variable xrep equal 10.0
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variable yrep equal 10.0
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variable zrep equal 10.0
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region box block 0 ${xrep} 0 ${yrep} 0.0 ${zrep} units lattice
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region box block 0 10 0 ${yrep} 0.0 ${zrep} units lattice
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region box block 0 10 0 10 0.0 ${zrep} units lattice
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region box block 0 10 0 10 0.0 10 units lattice
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create_box 2 box
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Created orthogonal box = (0 0 0) to (115.218 108.628 66.5209)
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1 by 1 by 1 MPI processor grid
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region atoms block 0 ${xrep} 0 ${yrep} 0.0 ${zrep} units lattice
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region atoms block 0 10 0 ${yrep} 0.0 ${zrep} units lattice
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region atoms block 0 10 0 10 0.0 ${zrep} units lattice
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region atoms block 0 10 0 10 0.0 10 units lattice
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create_atoms 1 region atoms
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Created 4000 atoms
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variable newx equal xhi*0.99998623082367843
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variable newy equal yhi*0.96972098958539854
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change_box all x final 0.0 ${newx} y final 0.0 ${newy} remap units box
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change_box all x final 0.0 115.21598865 y final 0.0 ${newy} remap units box
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change_box all x final 0.0 115.21598865 y final 0.0 105.339018016667 remap units box
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orthogonal box = (0 0 0) to (115.216 108.628 66.5209)
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orthogonal box = (0 0 0) to (115.216 105.339 66.5209)
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comm_modify vel yes
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mass * 222.12
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timestep 0.01
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pair_style multi/lucy linear 74923
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pair_coeff * * table.multibody KEYWORD 16.00
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fix 2 all nve
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neighbor 0.0 bin
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neigh_modify every 1 delay 0 check no once no
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variable totEnergy equal pe+ke
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thermo 1
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thermo_style custom step temp press vol pe ke v_totEnergy pxx pyy pzz lx ly lz
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thermo_modify format float %15.8f flush yes
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velocity all create 300.00 9198783 mom yes rot yes dist gaussian
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run 100
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Neighbor list info ...
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1 neighbor list requests
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update every 1 steps, delay 0 steps, check no
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 16
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ghost atom cutoff = 16
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binsize = 8 -> bins = 15 14 9
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Memory usage per processor = 3.86201 Mbytes
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Step Temp Press Volume PotEng KinEng totEnerg Pxx Pyy Pzz Lx Ly Lz
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0 300.00000000 1214.85216295 807346.78400379 -22.12267153 155.07339596 132.95072442 1220.12471110 1216.91825878 1207.51351897 115.21598865 105.33901802 66.52089800
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1 299.98155049 1215.02568640 807346.78400379 -22.11313423 155.06385920 132.95072496 1220.29979706 1217.09227333 1207.68498882 115.21598865 105.33901802 66.52089800
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2 299.92623729 1215.54625966 807346.78400379 -22.08453879 155.03526718 132.95072838 1220.82084147 1217.61430453 1208.20363298 115.21598865 105.33901802 66.52089800
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3 299.83415613 1216.41405238 807346.78400379 -22.03693661 154.98766938 132.95073277 1221.68800899 1218.48449656 1209.06965158 115.21598865 105.33901802 66.52089800
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4 299.70545314 1217.62933713 807346.78400379 -21.97040218 154.92114135 132.95073917 1222.90156854 1219.70309293 1210.28334991 115.21598865 105.33901802 66.52089800
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5 299.54032469 1219.19252381 807346.78400379 -21.88503806 154.83578459 132.95074652 1224.46192758 1221.27047105 1211.84517279 115.21598865 105.33901802 66.52089800
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6 299.33901717 1221.10411140 807346.78400379 -21.78097017 154.73172645 132.95075628 1226.36958369 1223.18709408 1213.75565644 115.21598865 105.33901802 66.52089800
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7 299.10182669 1223.36472005 807346.78400379 -21.65835298 154.60912001 132.95076703 1228.62515623 1225.45354361 1216.01546031 115.21598865 105.33901802 66.52089800
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8 298.82909869 1225.97503292 807346.78400379 -21.51736396 154.46814382 132.95077986 1231.22932809 1228.07046194 1218.62530873 115.21598865 105.33901802 66.52089800
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9 298.52122747 1228.93581631 807346.78400379 -21.35820794 154.30900169 132.95079375 1234.18286483 1231.03857404 1221.58601007 115.21598865 105.33901802 66.52089800
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10 298.17865561 1232.24787196 807346.78400379 -21.18111335 154.13192242 132.95080907 1237.48656650 1234.35864137 1224.89840803 115.21598865 105.33901802 66.52089800
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11 297.80187339 1235.91202348 807346.78400379 -20.98633355 153.93715943 132.95082588 1241.14125365 1238.03144867 1228.56336813 115.21598865 105.33901802 66.52089800
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12 297.39141808 1239.92908534 807346.78400379 -20.77414622 153.72499044 132.95084421 1245.14773653 1242.05777276 1232.58174674 115.21598865 105.33901802 66.52089800
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13 296.94787317 1244.29983696 807346.78400379 -20.54485317 153.49571705 132.95086388 1249.50678888 1246.43835699 1236.95436501 115.21598865 105.33901802 66.52089800
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14 296.47186749 1249.02497601 807346.78400379 -20.29877921 153.24966432 132.95088511 1254.21910126 1251.17386419 1241.68196256 115.21598865 105.33901802 66.52089800
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15 295.96407431 1254.10509565 807346.78400379 -20.03627262 152.98718028 132.95090766 1259.28525845 1256.26485345 1246.76517504 115.21598865 105.33901802 66.52089800
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16 295.42521029 1259.54064168 807346.78400379 -19.75770388 152.70863537 132.95093149 1264.70569635 1261.71173740 1252.20449129 115.21598865 105.33901802 66.52089800
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17 294.85603433 1265.33187598 807346.78400379 -19.46346575 152.41442187 132.95095612 1270.48066555 1267.51474571 1258.00021668 115.21598865 105.33901802 66.52089800
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18 294.25734640 1271.47883112 807346.78400379 -19.15397066 152.10495330 132.95098265 1276.61018593 1273.67387925 1264.15242818 115.21598865 105.33901802 66.52089800
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19 293.62998623 1277.98128944 807346.78400379 -18.82965389 151.78066373 132.95100984 1283.09402558 1280.18888963 1270.66095310 115.21598865 105.33901802 66.52089800
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20 292.97483191 1284.83872635 807346.78400379 -18.49096827 151.44200705 132.95103877 1289.93164440 1287.05922263 1277.52531201 115.21598865 105.33901802 66.52089800
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21 292.29279840 1292.05029131 807346.78400379 -18.13838752 151.08945620 132.95106869 1297.12217493 1294.28399932 1284.74469966 115.21598865 105.33901802 66.52089800
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22 291.58483599 1299.61476577 807346.78400379 -17.77240299 150.72350242 132.95109943 1304.66438055 1301.86197418 1292.31794256 115.21598865 105.33901802 66.52089800
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23 290.85192865 1307.53051634 807346.78400379 -17.39352373 150.34465432 132.95113059 1312.55660811 1309.79148860 1300.24345231 115.21598865 105.33901802 66.52089800
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24 290.09509230 1315.79547784 807346.78400379 -17.00227296 149.95343704 132.95116409 1320.79677086 1318.07045430 1308.51920836 115.21598865 105.33901802 66.52089800
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25 289.31537304 1324.40713625 807346.78400379 -16.59919365 149.55039133 132.95119768 1329.38233222 1326.69633585 1317.14274068 115.21598865 105.33901802 66.52089800
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26 288.51384364 1333.36102314 807346.78400379 -16.18484030 149.13607171 132.95123141 1338.30880774 1335.66464732 1326.10961436 115.21598865 105.33901802 66.52089800
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27 287.69159987 1342.65187212 807346.78400379 -15.75977816 148.71104460 132.95126644 1347.57091685 1344.97010766 1335.41459186 115.21598865 105.33901802 66.52089800
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28 286.84975866 1352.27397111 807346.78400379 -15.32458588 148.27588735 132.95130146 1357.16294383 1354.60697533 1345.05199418 115.21598865 105.33901802 66.52089800
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29 285.98945385 1362.21810390 807346.78400379 -14.87984825 147.83118606 132.95133781 1367.07572944 1364.56591875 1355.01266352 115.21598865 105.33901802 66.52089800
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30 285.11183157 1372.47402741 807346.78400379 -14.42615956 147.37753316 132.95137360 1377.29907470 1374.83660611 1365.28640141 115.21598865 105.33901802 66.52089800
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31 284.21805121 1383.03399379 807346.78400379 -13.96411808 146.91552798 132.95140990 1387.82524185 1385.41127290 1375.86546663 115.21598865 105.33901802 66.52089800
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32 283.30928639 1393.88949451 807346.78400379 -13.49433043 146.44577716 132.95144673 1398.64569849 1396.28141986 1386.74136518 115.21598865 105.33901802 66.52089800
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33 282.38672308 1405.03145788 807346.78400379 -13.01741017 145.96889373 132.95148357 1409.75134678 1407.43799592 1397.90503094 115.21598865 105.33901802 66.52089800
|
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34 281.45155812 1416.45050120 807346.78400379 -12.53397537 145.48549639 132.95152102 1421.13275266 1418.87162072 1409.34713021 115.21598865 105.33901802 66.52089800
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||||
35 280.50499797 1428.13709818 807346.78400379 -12.04465038 144.99620873 132.95155835 1432.78036207 1430.57277039 1421.05816207 115.21598865 105.33901802 66.52089800
|
||||
36 279.54825705 1440.08125112 807346.78400379 -11.55006192 144.50165852 132.95159659 1444.68414393 1442.53147451 1433.02813492 115.21598865 105.33901802 66.52089800
|
||||
37 278.58255618 1452.27309145 807346.78400379 -11.05084284 144.00247680 132.95163396 1456.83420615 1454.73786920 1445.24719900 115.21598865 105.33901802 66.52089800
|
||||
38 277.60911953 1464.70025824 807346.78400379 -10.54762439 143.49929638 132.95167199 1469.21819177 1467.17955926 1457.70302368 115.21598865 105.33901802 66.52089800
|
||||
39 276.62917178 1477.35076005 807346.78400379 -10.04104004 142.99275030 132.95171026 1481.82412322 1479.84454102 1470.38361590 115.21598865 105.33901802 66.52089800
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||||
40 275.64393717 1490.21272152 807346.78400379 -9.53172384 142.48347137 132.95174753 1494.64011882 1492.72094171 1483.27710402 115.21598865 105.33901802 66.52089800
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||||
41 274.65463761 1503.27360751 807346.78400379 -9.02030627 141.97209123 132.95178496 1507.65362511 1505.79619250 1496.37100491 115.21598865 105.33901802 66.52089800
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||||
42 273.66249069 1516.52078349 807346.78400379 -8.50741664 141.45923926 132.95182261 1520.85199536 1519.05762536 1509.65272975 115.21598865 105.33901802 66.52089800
|
||||
43 272.66870760 1529.94104125 807346.78400379 -7.99368165 140.94554153 132.95185988 1534.22199310 1532.49203870 1523.10909195 115.21598865 105.33901802 66.52089800
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||||
44 271.67449075 1543.52061095 807346.78400379 -7.47972338 140.43161959 132.95189621 1547.74984313 1546.08566531 1536.72632440 115.21598865 105.33901802 66.52089800
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||||
45 270.68103146 1557.24551051 807346.78400379 -6.96615672 139.91808923 132.95193252 1561.42155306 1559.82447888 1550.49049959 115.21598865 105.33901802 66.52089800
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||||
46 269.68950826 1571.10240735 807346.78400379 -6.45359109 139.40555967 132.95196858 1575.22376775 1573.69514129 1564.38831301 115.21598865 105.33901802 66.52089800
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47 268.70108495 1585.07761675 807346.78400379 -5.94262870 138.89463247 132.95200377 1589.14276538 1587.68396538 1578.40611949 115.21598865 105.33901802 66.52089800
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48 267.71690840 1599.15793895 807346.78400379 -5.43386213 138.38590047 132.95203834 1603.16532146 1601.77776906 1592.53072631 115.21598865 105.33901802 66.52089800
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49 266.73810668 1613.33033790 807346.78400379 -4.92787412 137.87994678 132.95207265 1617.27836120 1615.96354286 1606.74910964 115.21598865 105.33901802 66.52089800
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50 265.76578715 1627.58258742 807346.78400379 -4.42523789 137.37734381 132.95210592 1631.46963718 1630.22908130 1621.04904378 115.21598865 105.33901802 66.52089800
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||||
51 264.80103448 1641.90248933 807346.78400379 -3.92651400 136.87865223 132.95213823 1645.72692666 1644.56220766 1635.41833366 115.21598865 105.33901802 66.52089800
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||||
52 263.84490793 1656.27734653 807346.78400379 -3.43224999 136.38441959 132.95216960 1660.03745892 1658.95026436 1649.84431631 115.21598865 105.33901802 66.52089800
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||||
53 262.89843908 1670.69551125 807346.78400379 -2.94297816 135.89517913 132.95220097 1674.38956673 1673.38163368 1664.31533334 115.21598865 105.33901802 66.52089800
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||||
54 261.96262992 1685.14553889 807346.78400379 -2.45921853 135.41144879 132.95223026 1688.77180510 1687.84489681 1678.81991477 115.21598865 105.33901802 66.52089800
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55 261.03845044 1699.61620399 807346.78400379 -1.98147065 134.93372995 132.95225930 1703.17294770 1702.32885467 1693.34680961 115.21598865 105.33901802 66.52089800
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||||
56 260.12683635 1714.09662971 807346.78400379 -1.51021929 134.46250631 132.95228702 1717.58211523 1716.82266053 1707.88511338 115.21598865 105.33901802 66.52089800
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57 259.22868684 1728.57618816 807346.78400379 -1.04592921 133.99824266 132.95231345 1731.98868431 1731.31571575 1722.42416441 115.21598865 105.33901802 66.52089800
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||||
58 258.34486232 1743.04444894 807346.78400379 -0.58904565 133.54138376 132.95233811 1746.38222948 1745.79761712 1736.95350021 115.21598865 105.33901802 66.52089800
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||||
59 257.47618217 1757.49110140 807346.78400379 -0.13999165 133.09235316 132.95236151 1760.75245090 1760.25807844 1751.46277487 115.21598865 105.33901802 66.52089800
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||||
60 256.62342270 1771.90631323 807346.78400379 0.30083203 132.65155213 132.95238416 1775.08953474 1774.68729658 1765.94210837 115.21598865 105.33901802 66.52089800
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||||
61 255.78731525 1786.28069085 807346.78400379 0.73304602 132.21935873 132.95240475 1789.38411899 1789.07590440 1780.38204916 115.21598865 105.33901802 66.52089800
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||||
62 254.96854444 1800.60528382 807346.78400379 1.15629768 131.79612683 132.95242450 1803.62728580 1803.41497663 1794.77358903 115.21598865 105.33901802 66.52089800
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||||
63 254.16774635 1814.87155477 807346.78400379 1.57025695 131.38218523 132.95244218 1817.81053503 1817.69599898 1809.10813030 115.21598865 105.33901802 66.52089800
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||||
64 253.38550694 1829.07117079 807346.78400379 1.97462094 130.97783682 132.95245777 1831.92557869 1831.91064783 1823.37728584 115.21598865 105.33901802 66.52089800
|
||||
65 252.62236055 1843.19638891 807346.78400379 2.36911429 130.58335782 132.95247211 1845.96472133 1846.05119798 1837.57324742 115.21598865 105.33901802 66.52089800
|
||||
66 251.87878865 1857.23990728 807346.78400379 2.75348779 130.19899708 132.95248487 1859.92071310 1860.11036576 1851.68864298 115.21598865 105.33901802 66.52089800
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67 251.15521863 1871.19480215 807346.78400379 3.12752004 129.82497555 132.95249559 1873.78668892 1874.08124305 1865.71647448 115.21598865 105.33901802 66.52089800
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68 250.45202285 1885.05459361 807346.78400379 3.49101896 129.46148569 132.95250466 1887.55623377 1887.95736166 1879.65018540 115.21598865 105.33901802 66.52089800
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||||
69 249.76951782 1898.81325923 807346.78400379 3.84382067 129.10869111 132.95251178 1901.22339385 1901.73270901 1893.48367484 115.21598865 105.33901802 66.52089800
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||||
70 249.10796351 1912.46515304 807346.78400379 4.18579091 128.76672621 132.95251712 1914.78259878 1915.40164433 1907.21121600 115.21598865 105.33901802 66.52089800
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71 248.46756299 1926.00504201 807346.78400379 4.51682490 128.43569592 132.95252082 1928.22869236 1928.95893947 1920.82749418 115.21598865 105.33901802 66.52089800
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||||
72 247.84846207 1939.42810753 807346.78400379 4.83684677 128.11567565 132.95252243 1941.55693966 1942.39977558 1934.32760734 115.21598865 105.33901802 66.52089800
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73 247.25074937 1952.72996785 807346.78400379 5.14581129 127.80671119 132.95252249 1954.76304891 1955.71976556 1947.70708909 115.21598865 105.33901802 66.52089800
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74 246.67445640 1965.90663684 807346.78400379 5.44370154 127.50881883 132.95252037 1967.84312671 1968.91491617 1960.96186765 115.21598865 105.33901802 66.52089800
|
||||
75 246.11955792 1978.95453145 807346.78400379 5.73053087 127.22198553 132.95251640 1980.79368722 1981.98163382 1974.08827333 115.21598865 105.33901802 66.52089800
|
||||
76 245.58597254 1991.87045924 807346.78400379 6.00634144 126.94616920 132.95251065 1993.61163792 1994.91671290 1987.08302690 115.21598865 105.33901802 66.52089800
|
||||
77 245.07356341 2004.65154721 807346.78400379 6.27120386 126.68129912 132.95250299 2006.29421214 2007.71726040 1999.94316910 115.21598865 105.33901802 66.52089800
|
||||
78 244.58213918 2017.29539001 807346.78400379 6.52521809 126.42727638 132.95249447 2018.83910878 2020.38085546 2012.66620579 115.21598865 105.33901802 66.52089800
|
||||
79 244.11145502 2029.80010784 807346.78400379 6.76850879 126.18397441 132.95248320 2031.24454685 2032.90560846 2025.25016823 115.21598865 105.33901802 66.52089800
|
||||
80 243.66121397 2042.16407902 807346.78400379 7.00123097 125.95123971 132.95247068 2043.50902489 2045.28986433 2037.69334784 115.21598865 105.33901802 66.52089800
|
||||
81 243.23106832 2054.38629348 807346.78400379 7.22356428 125.72889256 132.95245683 2055.63164607 2057.53258357 2049.99465079 115.21598865 105.33901802 66.52089800
|
||||
82 242.82062122 2066.46613485 807346.78400379 7.43571312 125.51672780 132.95244092 2067.61189529 2069.63311930 2062.15338995 115.21598865 105.33901802 66.52089800
|
||||
83 242.42942848 2078.40298107 807346.78400379 7.63790833 125.31451585 132.95242417 2079.44926149 2081.59081527 2074.16886644 115.21598865 105.33901802 66.52089800
|
||||
84 242.05700073 2090.19639662 807346.78400379 7.83040181 125.12200373 132.95240554 2091.14342286 2093.40519773 2086.04056927 115.21598865 105.33901802 66.52089800
|
||||
85 241.70280558 2101.84628378 807346.78400379 8.01346897 124.93891625 132.95238522 2102.69439895 2105.07612228 2097.76833012 115.21598865 105.33901802 66.52089800
|
||||
86 241.36626994 2113.35269396 807346.78400379 8.18740712 124.76495716 132.95236428 2114.10235681 2116.60359480 2109.35213027 115.21598865 105.33901802 66.52089800
|
||||
87 241.04678236 2124.71610357 807346.78400379 8.35253195 124.59981042 132.95234236 2125.36789014 2127.98804410 2120.79237645 115.21598865 105.33901802 66.52089800
|
||||
88 240.74369534 2135.93768680 807346.78400379 8.50917742 124.44314130 132.95231873 2136.49230457 2139.23058407 2132.09017177 115.21598865 105.33901802 66.52089800
|
||||
89 240.45632785 2147.01830215 807346.78400379 8.65769642 124.29459780 132.95229422 2147.47657315 2150.33201661 2143.24631669 115.21598865 105.33901802 66.52089800
|
||||
90 240.18396823 2157.95915624 807346.78400379 8.79845686 124.15381203 132.95226889 2158.32202287 2161.29347731 2154.26196855 115.21598865 105.33901802 66.52089800
|
||||
91 239.92587635 2168.76249542 807346.78400379 8.93184124 124.02040141 132.95224265 2169.03104691 2172.11712586 2165.13931349 115.21598865 105.33901802 66.52089800
|
||||
92 239.68128636 2179.42956414 807346.78400379 9.05824571 123.89397007 132.95221578 2179.60501383 2182.80414124 2175.87953734 115.21598865 105.33901802 66.52089800
|
||||
93 239.44941012 2189.96207637 807346.78400379 9.17807756 123.77411062 132.95218818 2190.04575379 2193.35616035 2186.48431497 115.21598865 105.33901802 66.52089800
|
||||
94 239.22944006 2200.36210822 807346.78400379 9.29175459 123.66040561 132.95216020 2200.35545716 2203.77517672 2196.95569079 115.21598865 105.33901802 66.52089800
|
||||
95 239.02055215 2210.63160393 807346.78400379 9.39970237 123.55242908 132.95213145 2210.53616675 2214.06307395 2207.29557110 115.21598865 105.33901802 66.52089800
|
||||
96 238.82190903 2220.77267205 807346.78400379 9.50235468 123.44974821 132.95210289 2220.59008680 2224.22189558 2217.50603377 115.21598865 105.33901802 66.52089800
|
||||
97 238.63266294 2230.78766339 807346.78400379 9.60014892 123.35192476 132.95207367 2230.51965356 2234.25392247 2227.58941414 115.21598865 105.33901802 66.52089800
|
||||
98 238.45195842 2240.67914734 807346.78400379 9.69352820 123.25851655 132.95204475 2240.32755079 2244.16160081 2237.54829041 115.21598865 105.33901802 66.52089800
|
||||
99 238.27893540 2250.44940329 807346.78400379 9.78293616 123.16907899 132.95201516 2250.01616090 2253.94710729 2247.38494167 115.21598865 105.33901802 66.52089800
|
||||
100 238.11273236 2260.10079587 807346.78400379 9.86881920 123.08316676 132.95198596 2259.58791653 2263.61274057 2257.10173052 115.21598865 105.33901802 66.52089800
|
||||
Loop time of 2.42086 on 1 procs for 100 steps with 4000 atoms
|
||||
|
||||
Performance: 35.690 ns/day, 0.672 hours/ns, 41.308 timesteps/s
|
||||
99.6% CPU use with 1 MPI tasks x no OpenMP threads
|
||||
|
||||
MPI task timing breakdown:
|
||||
Section | min time | avg time | max time |%varavg| %total
|
||||
---------------------------------------------------------------
|
||||
Pair | 1.4967 | 1.4967 | 1.4967 | 0.0 | 61.83
|
||||
Neigh | 0.85998 | 0.85998 | 0.85998 | 0.0 | 35.52
|
||||
Comm | 0.035836 | 0.035836 | 0.035836 | 0.0 | 1.48
|
||||
Output | 0.0091844 | 0.0091844 | 0.0091844 | 0.0 | 0.38
|
||||
Modify | 0.0055444 | 0.0055444 | 0.0055444 | 0.0 | 0.23
|
||||
Other | | 0.01357 | | | 0.56
|
||||
|
||||
Nlocal: 4000 ave 4000 max 4000 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Nghost: 5840 ave 5840 max 5840 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Neighs: 165860 ave 165860 max 165860 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 165860
|
||||
Ave neighs/atom = 41.465
|
||||
Neighbor list builds = 100
|
||||
Dangerous builds not checked
|
||||
|
||||
Please see the log.cite file for references relevant to this simulation
|
||||
|
||||
Total wall time: 0:00:02
|
||||
File diff suppressed because it is too large
Load Diff
Loading…
Reference in New Issue