revised temper_grem example, better file management

This commit is contained in:
dstelter92
2016-11-17 12:53:25 -05:00
parent 4a3091f844
commit 2a026c9ad8
16 changed files with 8391 additions and 3363 deletions

View File

@ -13,8 +13,8 @@ thermo_style custom step temp pe etotal press vol
timestep 1.0
fix fxnvt all npt temp ${T0} ${T0} 1000.0 iso ${press} ${press} 10000.0
fix fxgREM all grem 400 -.01 -30000 fxnvt
fix fxnpt all npt temp ${T0} ${T0} 1000.0 iso ${press} ${press} 10000.0
fix fxgREM all grem 400 -.01 -30000 fxnpt
thermo_modify press fxgREM_press
run 1000

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@ -1,2 +1,3 @@
/run.sh
/screen.*
/log.lammps.*

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@ -1,7 +1,7 @@
# LJ particles
variable lambda world 400 405 410 415
variable lambda world 900 910 920 930
variable rep world 0 1 2 3
#variable walker world 1 0 2 3
#variable walker world 0 1 3 2
variable T0 equal 300.0
variable press equal 0.0
@ -10,17 +10,22 @@ units real
atom_style full
pair_style lj/cut 5.0
read_data "lj.data"
# LJ particles
print "This is replica: ${rep}"
log ${rep}/log.lammps.${rep}
read_data ${rep}/lj.data
#dump dump all xyz 1000 ${rep}/dump.xyz
thermo 10
thermo_style custom step temp pe etotal press vol
timestep 1.0
fix fxnpt all npt temp ${T0} ${T0} 1000.0 iso ${press} ${press} 10000.0
fix fxgREM all grem ${lambda} -.01 -30000 fxnpt
fix fxgREM all grem ${lambda} -.03 -30000 fxnpt
thermo_modify press fxgREM_press
grem 5000 100 ${lambda} fxgREM fxnpt 10294 98392 #${walker}
grem 10000 100 ${lambda} fxgREM fxnpt 10294 98392 #${walker}
#write_data lj-out.data
#write_data ${rep}/lj-out.data

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@ -1,583 +0,0 @@
LAMMPS (9 Nov 2016)
Processor partition = 0
# LJ particles
variable lambda world 400 405 410 415
variable rep world 0 1 2 3
#variable walker world 1 0 2 3
variable T0 equal 300.0
variable press equal 0.0
units real
atom_style full
pair_style lj/cut 5.0
read_data "lj.data"
orthogonal box = (1.06874 1.06874 1.06874) to (23.9313 23.9313 23.9313)
1 by 1 by 1 MPI processor grid
reading atoms ...
500 atoms
reading velocities ...
500 velocities
0 = max # of 1-2 neighbors
0 = max # of 1-3 neighbors
0 = max # of 1-4 neighbors
1 = max # of special neighbors
thermo 10
thermo_style custom step temp pe etotal press vol
timestep 1.0
fix fxnpt all npt temp ${T0} ${T0} 1000.0 iso ${press} ${press} 10000.0
fix fxnpt all npt temp 300 ${T0} 1000.0 iso ${press} ${press} 10000.0
fix fxnpt all npt temp 300 300 1000.0 iso ${press} ${press} 10000.0
fix fxnpt all npt temp 300 300 1000.0 iso 0 ${press} 10000.0
fix fxnpt all npt temp 300 300 1000.0 iso 0 0 10000.0
fix fxgREM all grem ${lambda} -.01 -30000 fxnpt
fix fxgREM all grem 400 -.01 -30000 fxnpt
thermo_modify press fxgREM_press
grem 5000 100 ${lambda} fxgREM fxnpt 10294 98392 #${walker}
grem 5000 100 400 fxgREM fxnpt 10294 98392
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 10 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 7
ghost atom cutoff = 7
binsize = 3.5 -> bins = 7 7 7
Memory usage per processor = 5.37943 Mbytes
Step Temp PotEng TotEng Press Volume
0 305.69499 -3177.6423 -2722.9442 -91.741776 11950.115
10 312.30124 -3182.2257 -2717.7013 -203.95075 11950.113
20 314.94567 -3186.456 -2717.9982 -265.56737 11950.108
30 312.229 -3183.7641 -2719.3472 -196.90499 11950.097
40 305.94068 -3180.7085 -2725.6449 -92.562221 11950.083
50 300.42281 -3176.5838 -2729.7277 10.896769 11950.066
60 299.16747 -3174.1939 -2729.205 50.094171 11950.05
70 301.65965 -3176.0918 -2727.396 0.096901939 11950.035
80 304.77876 -3178.2699 -2724.9346 -64.001022 11950.019
90 305.60598 -3178.9517 -2724.386 -93.672879 11950.003
100 303.8005 -3177.5156 -2725.6354 -74.516709 11949.985
110 300.86776 -3175.4773 -2727.9593 -34.22655 11949.965
120 298.70177 -3175.6488 -2731.3526 -19.014898 11949.944
130 298.39686 -3176.3792 -2732.5365 -21.293245 11949.923
140 300.00669 -3177.7032 -2731.466 -40.992937 11949.902
150 301.85665 -3178.1312 -2729.1423 -45.715505 11949.88
160 301.20597 -3177.3218 -2729.3007 -10.104082 11949.857
170 297.01134 -3172.7462 -2730.9643 99.298381 11949.833
180 291.279 -3168.3513 -2735.0958 219.47549 11949.812
190 287.13954 -3165.1287 -2738.0304 309.36947 11949.796
200 286.57735 -3165.2951 -2739.033 323.96954 11949.786
210 289.83941 -3167.8245 -2736.7103 271.77305 11949.783
220 296.12858 -3171.8054 -2731.3366 172.4056 11949.785
230 303.82424 -3176.3108 -2724.3952 56.711479 11949.791
240 309.95738 -3180.9789 -2719.9408 -40.992898 11949.798
250 312.0405 -3182.3473 -2718.2107 -57.591676 11949.805
260 309.65444 -3181.0587 -2720.4712 3.3540332 11949.81
270 304.40001 -3176.5798 -2723.8078 130.77028 11949.816
280 298.65985 -3174.1505 -2729.9166 237.63562 11949.825
290 294.78709 -3170.9701 -2732.4966 326.94924 11949.838
300 294.03216 -3169.9567 -2732.6062 349.85486 11949.859
310 296.44397 -3172.8519 -2731.914 284.80897 11949.886
320 301.41027 -3175.9697 -2727.6447 179.4647 11949.92
330 307.88911 -3181.2615 -2723.2998 24.702414 11949.957
340 314.73138 -3186.0047 -2717.8656 -132.6263 11949.995
350 320.55591 -3187.8509 -2711.0483 -245.88468 11950.031
360 323.50274 -3188.9994 -2707.8136 -314.73676 11950.062
370 321.61539 -3187.1233 -2708.7448 -293.17446 11950.086
380 314.37275 -3181.484 -2713.8784 -169.00448 11950.104
390 303.54884 -3174.1675 -2722.6616 12.923999 11950.119
400 293.40432 -3167.0348 -2730.6181 187.6624 11950.135
410 288.09827 -3165.0462 -2736.5219 288.73219 11950.154
420 288.39894 -3167.506 -2738.5345 257.02659 11950.179
430 292.44842 -3170.3988 -2735.404 183.32415 11950.21
440 296.41903 -3172.5819 -2731.681 119.04878 11950.245
450 297.42556 -3172.6229 -2730.2249 110.32185 11950.282
460 295.21265 -3170.3483 -2731.2419 161.45782 11950.322
470 292.47314 -3168.7682 -2733.7366 214.63619 11950.365
480 292.27285 -3168.6447 -2733.911 229.77842 11950.413
490 295.93672 -3171.0089 -2730.8254 179.87611 11950.465
500 302.21964 -3175.6738 -2726.145 77.320406 11950.521
510 308.54629 -3179.5673 -2720.6281 -47.366713 11950.578
520 312.01308 -3181.4533 -2717.3575 -99.871864 11950.635
530 311.7909 -3182.3734 -2718.6081 -110.61989 11950.69
540 309.69086 -3179.6991 -2719.0574 -64.786636 11950.742
550 308.61394 -3179.2755 -2720.2356 -49.497159 11950.793
560 309.24282 -3177.7344 -2717.7592 -29.06707 11950.843
570 308.54187 -3176.6384 -2717.7057 5.2462375 11950.893
580 303.45834 -3173.8643 -2722.493 100.76596 11950.943
590 294.26292 -3166.8272 -2729.1334 278.24879 11950.996
600 284.7829 -3160.7924 -2737.1994 441.46378 11951.054
610 279.66528 -3157.473 -2741.4921 525.40741 11951.121
620 281.84135 -3158.908 -2739.6903 482.49197 11951.199
630 290.32334 -3165.1191 -2733.2851 324.44044 11951.287
640 300.96633 -3172.2155 -2724.5509 136.70988 11951.382
650 308.97301 -3179.0417 -2719.4678 -21.970723 11951.48
660 312.18152 -3182.4699 -2718.1236 -94.902022 11951.578
670 311.69432 -3182.6936 -2719.0719 -92.195857 11951.674
680 309.2545 -3180.7243 -2720.7317 -42.192638 11951.768
690 305.48621 -3177.0999 -2722.7123 38.109043 11951.861
700 301.05395 -3174.7507 -2726.9557 106.17351 11951.955
710 296.6425 -3173.3653 -2732.132 187.04139 11952.052
720 292.55798 -3171.5372 -2736.3794 232.92497 11952.153
730 289.91084 -3169.2361 -2738.0157 259.34878 11952.258
740 289.91764 -3168.9977 -2737.7672 229.48347 11952.369
750 292.77303 -3171.2149 -2735.7372 139.76844 11952.485
760 297.68367 -3173.6402 -2730.8583 27.815102 11952.603
770 303.19777 -3177.6604 -2726.6767 -103.75586 11952.723
780 307.93216 -3180.7583 -2722.7325 -209.65467 11952.84
790 310.76421 -3181.7763 -2719.5381 -261.20492 11952.953
800 310.63887 -3183.8182 -2721.7664 -280.50085 11953.061
810 306.99261 -3181.2342 -2724.6059 -199.74738 11953.163
820 300.34358 -3176.7466 -2730.0083 -54.943971 11953.261
830 292.38181 -3173.4771 -2738.5813 101.9182 11953.358
840 285.06556 -3167.2231 -2743.2097 294.52217 11953.458
850 279.60561 -3163.6758 -2747.7836 442.70856 11953.563
860 275.68302 -3160.2469 -2750.1893 570.38012 11953.678
870 272.55958 -3156.0426 -2750.6308 687.13537 11953.804
880 270.55307 -3153.7748 -2751.3476 755.67364 11953.946
890 270.48151 -3154.2589 -2751.9382 756.91745 11954.103
900 272.88003 -3155.6271 -2749.7387 706.31567 11954.275
910 277.94504 -3160.5083 -2747.0861 576.74515 11954.463
920 284.76717 -3165.7866 -2742.217 416.762 11954.663
930 291.45669 -3168.7375 -2735.2178 280.04569 11954.872
940 296.43697 -3170.7936 -2729.8661 174.25093 11955.086
950 298.69809 -3172.4539 -2728.1631 106.09201 11955.305
960 298.43187 -3172.5297 -2728.6349 86.85884 11955.526
970 297.12572 -3172.556 -2730.604 83.494565 11955.749
980 297.07542 -3174.6156 -2732.7385 49.658882 11955.974
990 299.50975 -3175.7339 -2730.2359 6.0669253 11956.199
1000 303.0793 -3176.7002 -2725.8927 -44.704399 11956.426
1010 305.2172 -3178.0123 -2724.0248 -85.3392 11956.651
1020 304.76861 -3177.7011 -2724.3809 -83.371269 11956.874
1030 302.72268 -3176.177 -2725.9 -50.597584 11957.096
1040 300.44254 -3174.362 -2727.4765 -11.425678 11957.317
1050 298.96723 -3173.2253 -2728.5342 11.641514 11957.538
1060 298.81282 -3173.3764 -2728.915 4.5079253 11957.759
1070 299.18608 -3174.6777 -2729.6611 -26.003691 11957.98
1080 299.29319 -3175.3996 -2730.2237 -53.131885 11958.201
1090 299.63061 -3174.4354 -2728.7576 -64.942874 11958.421
1100 300.35633 -3176.3665 -2729.6092 -110.316 11958.64
1110 300.90695 -3175.9428 -2728.3666 -124.41459 11958.856
1120 300.96627 -3176.7654 -2729.1009 -143.37723 11959.07
1130 300.83431 -3176.4031 -2728.9349 -141.51879 11959.281
1140 300.30707 -3175.3838 -2728.6998 -123.44934 11959.489
1150 298.99717 -3172.2524 -2727.5167 -70.637292 11959.694
1160 297.18299 -3168.6465 -2726.6093 -4.2528971 11959.899
1170 295.22567 -3168.4958 -2729.37 27.003366 11960.103
1180 293.41029 -3168.309 -2731.8835 57.440283 11960.307
1190 292.41387 -3168.1499 -2733.2064 79.016859 11960.514
1200 293.08599 -3167.28 -2731.3368 91.528319 11960.722
1210 295.26961 -3168.2229 -2729.0318 67.548828 11960.931
1220 297.59685 -3168.867 -2726.2143 43.516344 11961.143
1230 298.47173 -3170.1028 -2726.1487 26.029628 11961.355
1240 296.8965 -3169.5456 -2727.9346 51.28056 11961.569
1250 293.10091 -3166.8255 -2730.8601 123.20572 11961.783
1260 288.17135 -3164.1272 -2735.4942 205.71715 11962
1270 283.71613 -3161.3549 -2739.3487 285.3574 11962.222
1280 280.26348 -3159.1296 -2742.2589 346.37442 11962.449
1290 277.97437 -3157.9536 -2744.4878 378.34077 11962.684
1300 277.72177 -3158.1535 -2745.0635 366.53439 11962.927
1310 281.19795 -3162.5869 -2744.3263 263.42264 11963.178
1320 289.34082 -3170.3093 -2739.9367 75.047754 11963.434
1330 300.20775 -3175.8021 -2729.2659 -114.57935 11963.692
1340 309.45011 -3181.9038 -2721.6202 -292.48279 11963.948
1350 313.4937 -3184.3443 -2718.0462 -374.67466 11964.197
1360 311.63332 -3183.3059 -2719.7749 -352.92624 11964.439
1370 305.40475 -3177.2028 -2722.9364 -224.55427 11964.674
1380 297.8551 -3170.7344 -2727.6975 -75.998893 11964.905
1390 292.78087 -3168.0489 -2732.5595 4.5668859 11965.134
1400 292.46682 -3168.8542 -2733.8319 -4.0234885 11965.363
1410 295.95696 -3169.6073 -2729.3938 -54.335794 11965.592
1420 300.10339 -3172.5137 -2726.1326 -137.39149 11965.819
1430 301.57168 -3173.8657 -2725.3007 -174.4038 11966.044
1440 298.7411 -3172.1665 -2727.8117 -130.56988 11966.266
1450 292.83246 -3167.2001 -2731.634 -15.053448 11966.485
1460 286.89893 -3163.267 -2736.5266 93.055107 11966.704
1470 283.892 -3161.1883 -2738.9205 151.64693 11966.925
1480 285.70627 -3161.8445 -2736.8781 132.32222 11967.149
1490 291.61776 -3167.2494 -2733.49 18.652171 11967.376
1500 298.82629 -3172.6104 -2728.129 -110.32079 11967.604
1510 304.74121 -3175.2492 -2721.9697 -197.72403 11967.83
1520 308.15026 -3177.3697 -2719.0195 -256.0438 11968.051
1530 309.75424 -3181.0296 -2720.2936 -312.46175 11968.268
1540 310.4805 -3180.5452 -2718.729 -313.51048 11968.478
1550 310.34161 -3179.4738 -2717.8642 -298.12922 11968.682
1560 308.45347 -3181.4235 -2722.6223 -298.08532 11968.879
1570 304.21758 -3177.4452 -2724.9446 -208.15555 11969.071
1580 297.97795 -3173.2914 -2730.0718 -94.339841 11969.258
1590 291.61299 -3169.7108 -2735.9586 16.822161 11969.444
1600 287.06539 -3166.4405 -2739.4525 108.89327 11969.629
1610 283.69326 -3163.8843 -2741.9121 207.05025 11969.818
1620 280.67366 -3163.2791 -2745.7983 246.67299 11970.011
1630 279.33963 -3160.9612 -2745.4646 280.2696 11970.209
1640 281.2411 -3163.4091 -2745.0843 221.04273 11970.413
1650 286.80659 -3166.5872 -2739.9841 111.18269 11970.621
1660 294.7532 -3169.5926 -2731.1695 -20.981741 11970.832
1670 301.96613 -3173.1319 -2723.9802 -146.83188 11971.043
1680 304.93014 -3173.9437 -2720.3832 -192.44684 11971.251
1690 302.18639 -3170.6123 -2721.1329 -125.54022 11971.455
1700 295.20298 -3166.0112 -2726.9191 7.3991923 11971.657
1710 287.35682 -3159.9421 -2732.5207 141.32935 11971.859
1720 282.46111 -3158.2508 -2738.1113 228.80562 11972.063
1730 281.54152 -3158.7262 -2739.9545 252.74063 11972.273
1740 283.4366 -3157.8147 -2736.2242 260.74675 11972.488
1750 286.24401 -3158.5687 -2732.8024 237.11242 11972.708
1760 288.87022 -3160.3788 -2730.7063 200.98313 11972.934
1770 290.74741 -3160.3616 -2727.8969 191.36933 11973.163
1780 291.51633 -3160.1183 -2726.5099 193.10294 11973.397
1790 291.87887 -3161.1746 -2727.0269 180.9888 11973.635
1800 293.126 -3161.3807 -2725.378 165.60527 11973.877
1810 295.74927 -3163.9614 -2724.0567 106.94883 11974.122
1820 299.19731 -3167.3607 -2722.3274 28.021726 11974.37
1830 302.65491 -3170.632 -2720.4558 -49.625883 11974.618
1840 305.20943 -3172.4987 -2718.5228 -99.928846 11974.865
1850 306.08831 -3171.5159 -2716.2327 -98.75798 11975.11
1860 305.07664 -3169.5157 -2715.7373 -64.605171 11975.354
1870 302.43919 -3166.1476 -2716.2922 3.8834278 11975.596
1880 298.52049 -3165.5959 -2721.5693 52.971712 11975.838
1890 294.48111 -3165.4852 -2727.4668 93.814765 11976.082
1900 292.11241 -3163.2201 -2728.725 134.51081 11976.328
1910 292.94196 -3164.1736 -2728.4446 100.13717 11976.577
1920 296.86993 -3166.9568 -2725.3853 7.5984128 11976.828
1930 302.07271 -3169.8107 -2720.5004 -103.41081 11977.079
1940 306.02591 -3172.7369 -2717.5466 -205.00711 11977.328
1950 306.94241 -3172.4166 -2715.863 -238.87709 11977.573
1960 304.69868 -3171.3994 -2718.1832 -228.58312 11977.814
1970 300.62656 -3166.6433 -2719.4841 -152.72698 11978.049
1980 296.71963 -3164.1046 -2722.7567 -96.894027 11978.282
1990 294.55675 -3163.5381 -2725.4073 -72.66868 11978.513
2000 293.86172 -3162.3881 -2725.2911 -51.29064 11978.742
2010 293.56969 -3162.8319 -2726.1692 -80.777964 11978.969
2020 293.48987 -3162.6254 -2726.0814 -80.333988 11979.196
2030 294.02748 -3163.6096 -2726.266 -100.54017 11979.42
2040 295.89767 -3164.4076 -2724.2823 -131.62486 11979.643
2050 299.39902 -3167.1875 -2721.8542 -197.78346 11979.862
2060 304.32805 -3169.715 -2717.0501 -269.03798 11980.078
2070 309.62259 -3171.6865 -2711.1464 -329.93483 11980.289
2080 313.32984 -3172.2249 -2706.1705 -353.62345 11980.493
2090 314.14288 -3170.8676 -2703.6039 -321.85066 11980.689
2100 311.86588 -3169.4659 -2705.589 -254.47997 11980.879
2110 307.08094 -3167.8759 -2711.1163 -160.16805 11981.063
2120 301.4608 -3163.7734 -2715.3733 -34.736681 11981.245
2130 298.18266 -3160.4112 -2716.887 53.003553 11981.426
2140 299.93013 -3162.0414 -2715.9181 32.580583 11981.607
2150 305.77267 -3165.6822 -2710.8685 -55.124653 11981.79
2160 312.18505 -3168.7716 -2704.42 -148.47486 11981.971
2170 316.0279 -3171.232 -2701.1645 -214.03175 11982.15
2180 315.87602 -3170.2961 -2700.4545 -205.49734 11982.324
2190 312.00352 -3169.0348 -2704.9532 -161.59708 11982.495
2200 307.05252 -3163.1279 -2706.4105 -62.369758 11982.662
2210 305.27287 -3162.8436 -2708.7733 -57.585381 11982.827
2220 308.45091 -3166.5891 -2707.7918 -143.26048 11982.992
2230 314.16862 -3170.017 -2702.715 -248.46519 11983.153
2240 318.37883 -3173.114 -2699.5496 -334.82741 11983.31
2250 318.42563 -3174.5427 -2700.9087 -360.92132 11983.459
2260 314.32979 -3170.6372 -2703.0954 -285.15337 11983.601
2270 308.16092 -3166.5674 -2708.2013 -184.25674 11983.738
2280 302.53083 -3161.6739 -2711.6822 -74.504663 11983.87
2290 299.03899 -3158.9676 -2714.1697 -6.7572255 11984.001
2300 298.7152 -3158.8526 -2714.5363 3.20611 11984.132
2310 301.94039 -3160.0051 -2710.8917 -31.885946 11984.263
2320 307.2963 -3161.885 -2704.805 -91.546582 11984.393
2330 312.39725 -3164.78 -2700.1127 -157.84241 11984.522
2340 316.16919 -3166.4121 -2696.1344 -193.47764 11984.647
2350 318.17056 -3166.2301 -2692.9755 -188.20494 11984.768
2360 317.81148 -3167.2683 -2694.5478 -173.65225 11984.886
2370 315.54476 -3164.1729 -2694.824 -99.286876 11985
2380 313.17409 -3164.0376 -2698.2149 -61.194459 11985.113
2390 311.96997 -3162.6931 -2698.6614 -26.384928 11985.224
2400 311.96474 -3162.6604 -2698.6365 -20.526656 11985.334
2410 312.0769 -3163.2299 -2699.0392 -23.879557 11985.444
2420 311.35675 -3164.5728 -2701.4532 -26.841066 11985.554
2430 309.59976 -3163.7956 -2703.2894 3.6914315 11985.664
2440 307.78075 -3163.1115 -2705.311 32.649374 11985.773
2450 307.22326 -3161.0178 -2704.0465 65.011167 11985.884
2460 308.37317 -3162.7999 -2704.1182 38.261374 11985.995
2470 310.48228 -3165.4707 -2703.6519 -8.6057608 11986.108
2480 311.58397 -3166.8278 -2703.3703 -34.667393 11986.22
2490 310.34807 -3167.7106 -2706.0914 -38.688218 11986.332
2500 307.87605 -3164.8946 -2706.9523 3.5292314 11986.443
2510 306.59168 -3163.5137 -2707.4818 15.186095 11986.555
2520 307.61064 -3163.6399 -2706.0923 -13.58088 11986.666
2530 310.25345 -3164.4296 -2702.9511 -66.841543 11986.778
2540 313.11147 -3167.4672 -2701.7376 -147.58033 11986.888
2550 315.07143 -3166.7602 -2698.1153 -175.68575 11986.995
2560 315.73106 -3167.177 -2697.551 -197.0929 11987.099
2570 315.48981 -3165.4325 -2696.1653 -174.55877 11987.199
2580 314.32113 -3165.1872 -2697.6583 -145.5958 11987.295
2590 311.58979 -3162.8717 -2699.4055 -68.496951 11987.389
2600 307.70684 -3159.9427 -2702.2521 31.035113 11987.481
2610 304.16106 -3157.7639 -2705.3474 120.03921 11987.574
2620 302.18014 -3156.8692 -2707.3992 177.99078 11987.67
2630 302.5761 -3157.659 -2707.6 192.12172 11987.769
2640 305.08447 -3158.1171 -2704.3271 189.28096 11987.873
2650 307.45255 -3159.2739 -2701.9615 177.29118 11987.981
2660 307.69693 -3159.6982 -2702.0224 188.84521 11988.092
2670 306.4505 -3159.9416 -2704.1197 212.69873 11988.208
2680 306.07053 -3160.0937 -2704.8369 225.89068 11988.328
2690 308.14875 -3159.8791 -2701.5312 216.46898 11988.453
2700 311.98495 -3161.0747 -2697.0208 170.89006 11988.583
2710 315.08554 -3164.4188 -2695.7529 100.53052 11988.717
2720 315.78785 -3165.2779 -2695.5674 70.614261 11988.852
2730 314.34834 -3164.4818 -2696.9124 68.803693 11988.99
2740 312.72004 -3163.434 -2698.2866 64.298038 11989.129
2750 312.76537 -3162.4271 -2697.2123 40.734922 11989.27
2760 314.7884 -3163.2381 -2695.0142 -17.832498 11989.411
2770 317.15209 -3165.324 -2693.5843 -85.150024 11989.552
2780 317.56096 -3166.0081 -2693.6602 -106.82797 11989.692
2790 314.20697 -3165.0249 -2697.6659 -63.632056 11989.829
2800 307.11585 -3159.7658 -2702.9543 67.698388 11989.966
2810 299.33812 -3155.3785 -2710.1357 198.29965 11990.103
2820 295.28866 -3152.9041 -2713.6846 273.72823 11990.245
2830 297.17867 -3153.9061 -2711.8753 256.32807 11990.393
2840 303.04513 -3156.4482 -2705.6916 184.69168 11990.546
2850 309.02791 -3159.7255 -2700.0699 100.93891 11990.704
2860 312.94471 -3161.6499 -2696.1684 47.308497 11990.863
2870 315.12529 -3162.9706 -2694.2457 10.981353 11991.024
2880 317.38869 -3164.6113 -2692.5196 -34.263401 11991.185
2890 320.61665 -3165.3056 -2688.4126 -80.652788 11991.346
2900 323.61362 -3167.037 -2685.6862 -140.09662 11991.505
2910 324.89004 -3168.4363 -2685.187 -182.55767 11991.662
2920 323.75042 -3166.6808 -2685.1266 -169.94052 11991.814
2930 321.15253 -3165.9501 -2688.26 -154.19159 11991.964
2940 318.94337 -3166.1336 -2691.7296 -147.69589 11992.11
2950 318.03881 -3165.3329 -2692.2743 -136.09331 11992.252
2960 317.58285 -3164.9557 -2692.5753 -131.08799 11992.393
2970 316.80983 -3165.5597 -2694.3291 -135.54913 11992.53
2980 315.72709 -3164.1222 -2694.5021 -119.25988 11992.665
2990 314.6729 -3164.4154 -2696.3634 -125.66784 11992.797
3000 313.60243 -3163.2556 -2696.7957 -119.06495 11992.927
3010 313.16275 -3161.9827 -2696.1768 -117.0338 11993.055
3020 314.1186 -3162.6734 -2695.4458 -146.04191 11993.179
3030 316.44308 -3163.734 -2693.0489 -185.51809 11993.301
3040 318.9675 -3166.6384 -2692.1984 -239.84428 11993.42
3050 319.86518 -3166.9038 -2691.1286 -243.72136 11993.533
3060 318.16294 -3166.5258 -2693.2825 -212.85038 11993.641
3070 315.37945 -3163.8675 -2694.7645 -142.71094 11993.745
3080 313.46373 -3161.514 -2695.2605 -78.763138 11993.846
3090 311.92375 -3158.4908 -2694.5279 -7.9341643 11993.946
3100 309.59422 -3157.0532 -2696.5553 50.119002 11994.045
3110 307.77364 -3155.4254 -2697.6354 103.04678 11994.145
3120 308.34302 -3157.2027 -2698.5658 96.232126 11994.248
3130 310.87863 -3159.8661 -2697.4577 61.218672 11994.353
3140 313.3158 -3159.7028 -2693.6693 53.838717 11994.459
3150 315.19885 -3159.8401 -2691.0057 41.596376 11994.567
3160 318.05051 -3162.0562 -2688.9801 -7.5012204 11994.676
3170 322.1036 -3165.0615 -2685.9568 -80.228111 11994.784
3180 325.33277 -3167.399 -2683.4911 -143.28768 11994.891
3190 326.13838 -3168.5506 -2683.4445 -175.20333 11994.995
3200 324.27764 -3166.651 -2684.3125 -149.76628 11995.096
3210 320.241 -3162.9407 -2686.6065 -81.782178 11995.193
3220 314.98472 -3158.5702 -2690.0543 8.0100877 11995.289
3230 309.87578 -3155.0899 -2694.1731 89.075165 11995.386
3240 306.07545 -3152.9908 -2697.7267 145.22831 11995.484
3250 303.19662 -3151.7553 -2700.7733 182.98279 11995.585
3260 300.17132 -3150.6889 -2704.2068 217.46781 11995.691
3270 297.18914 -3149.9141 -2707.8678 244.39461 11995.801
3280 295.82701 -3149.2737 -2709.2535 251.01231 11995.916
3290 297.58376 -3150.2745 -2707.6412 208.92322 11996.037
3300 302.66162 -3155.0212 -2704.835 96.336878 11996.162
3310 309.45424 -3157.7273 -2697.4376 -4.4234984 11996.29
3320 315.17399 -3159.8669 -2691.0695 -81.469775 11996.417
3330 317.58532 -3159.5849 -2687.2008 -93.06535 11996.543
3340 316.18474 -3159.7103 -2689.4095 -66.010176 11996.668
3350 312.25302 -3156.3472 -2691.8945 27.919241 11996.791
3360 308.25084 -3153.8624 -2695.3627 114.04202 11996.915
3370 306.30999 -3152.0617 -2696.4488 171.23601 11997.042
3380 307.33621 -3152.5958 -2695.4565 170.1511 11997.172
3390 310.86706 -3155.4207 -2693.0295 112.21039 11997.306
3400 315.62154 -3159.0456 -2689.5825 26.897988 11997.442
3410 319.85629 -3161.4142 -2685.6522 -41.990477 11997.58
3420 321.90094 -3163.801 -2684.9977 -92.369477 11997.716
3430 322.07981 -3164.5804 -2685.5111 -107.09077 11997.851
3440 321.76365 -3163.4623 -2684.8633 -94.253875 11997.984
3450 321.38962 -3162.84 -2684.7973 -85.26403 11998.115
3460 320.66018 -3164.0903 -2687.1326 -93.593161 11998.244
3470 319.58569 -3162.2249 -2686.8654 -65.607717 11998.371
3480 318.88711 -3161.9205 -2687.6001 -59.160604 11998.497
3490 319.10349 -3160.1135 -2685.4713 -43.287132 11998.622
3500 319.59663 -3160.9871 -2685.6114 -57.607376 11998.746
3510 319.38406 -3160.0883 -2685.0287 -47.146495 11998.869
3520 318.83421 -3160.2871 -2686.0454 -46.462817 11998.991
3530 318.98044 -3158.9688 -2684.5095 -33.595329 11999.112
3540 320.08561 -3159.5961 -2683.4931 -45.505268 11999.233
3550 320.57577 -3160.2214 -2683.3892 -44.514723 11999.353
3560 317.9443 -3158.4181 -2685.5 16.046718 11999.472
3570 311.82658 -3155.39 -2691.5716 122.87268 11999.592
3580 304.61906 -3150.3412 -2697.2435 255.95258 11999.714
3590 299.9834 -3147.7588 -2701.5562 327.32916 11999.842
3600 300.30619 -3148.8068 -2702.1241 298.72719 11999.977
3610 305.09112 -3154.0812 -2700.2812 166.99562 12000.118
3620 311.94672 -3158.075 -2694.0779 19.188622 12000.262
3630 318.19146 -3161.2804 -2687.9947 -118.27384 12000.408
3640 321.38537 -3163.6829 -2685.6465 -214.41869 12000.551
3650 319.78386 -3162.4343 -2686.7801 -215.18858 12000.69
3660 313.45173 -3160.2034 -2693.9677 -147.63981 12000.825
3670 304.49009 -3155.9953 -2703.0894 -23.030803 12000.956
3680 296.37102 -3151.4192 -2710.5898 104.46091 12001.088
3690 292.07404 -3148.284 -2713.846 181.80782 12001.221
3700 292.89909 -3149.1443 -2713.4791 163.96914 12001.359
3710 297.5166 -3151.934 -2709.4006 112.65315 12001.5
3720 302.95091 -3154.6237 -2704.0071 25.329385 12001.644
3730 306.78794 -3158.2056 -2701.8818 -55.443143 12001.788
3740 308.15495 -3158.8023 -2700.4451 -77.657777 12001.932
3750 308.12637 -3158.719 -2700.4043 -75.401968 12002.074
3760 307.87962 -3158.7511 -2700.8035 -68.618454 12002.215
3770 307.48508 -3159.2114 -2701.8506 -63.079713 12002.355
3780 306.50785 -3157.5672 -2701.66 -29.228449 12002.493
3790 305.16038 -3156.7268 -2702.8239 -0.80311861 12002.63
3800 303.98297 -3154.5547 -2702.4031 43.165942 12002.768
3810 302.92337 -3152.7273 -2702.1517 86.045685 12002.907
3820 301.73247 -3153.5758 -2704.7716 103.72193 12003.048
3830 300.66042 -3152.794 -2705.5845 138.30479 12003.191
3840 300.45546 -3152.9929 -2706.0882 151.03613 12003.337
3850 301.87278 -3153.5056 -2704.4927 140.8039 12003.487
3860 304.89013 -3155.3648 -2701.8638 95.845376 12003.639
3870 308.52287 -3156.8507 -2697.9463 44.778673 12003.794
3880 311.51966 -3158.5666 -2695.2047 -6.6360574 12003.95
3890 313.5085 -3161.3167 -2694.9965 -58.95437 12004.106
3900 314.4886 -3161.4138 -2693.6358 -68.460008 12004.261
3910 314.23457 -3160.28 -2692.8799 -48.362006 12004.414
3920 312.42608 -3158.8847 -2694.1746 -7.4714716 12004.567
3930 309.05343 -3158.0124 -2698.3189 42.443428 12004.72
3940 304.69987 -3155.0281 -2701.8102 119.9258 12004.874
3950 300.53346 -3151.7792 -2704.7585 190.20737 12005.03
3960 297.57454 -3151.1893 -2708.5697 209.20731 12005.191
3970 296.31895 -3150.8289 -2710.0769 198.5232 12005.356
3980 296.96425 -3152.4156 -2710.7038 139.40644 12005.525
3990 299.55739 -3154.7934 -2709.2245 49.4055 12005.698
4000 303.18382 -3155.3753 -2704.4124 -30.011834 12005.872
4010 306.12559 -3156.154 -2700.8154 -101.59735 12006.045
4020 307.36128 -3156.1736 -2698.997 -141.35263 12006.216
4030 307.03316 -3155.399 -2698.7104 -146.75821 12006.385
4040 305.79229 -3155.7158 -2700.873 -143.23468 12006.55
4050 303.90014 -3155.0704 -2703.0419 -112.46544 12006.713
4060 301.25763 -3151.6788 -2703.5809 -37.98648 12006.874
4070 298.00544 -3150.3761 -2707.1156 18.714844 12007.034
4080 295.43586 -3148.7452 -2709.3068 67.914839 12007.194
4090 295.19689 -3151.5863 -2712.5033 41.446963 12007.356
4100 297.50451 -3152.0737 -2709.5583 11.823239 12007.519
4110 302.11867 -3153.4838 -2704.1051 -80.646798 12007.682
4120 307.92401 -3158.8269 -2700.8132 -203.57818 12007.844
4130 313.37285 -3160.9164 -2694.7981 -290.764 12008.001
4140 317.75735 -3162.7109 -2690.0709 -364.87345 12008.153
4150 320.82305 -3165.7517 -2688.5517 -435.81268 12008.296
4160 321.72255 -3166.7298 -2688.1919 -457.22554 12008.431
4170 319.41775 -3166.0124 -2690.9027 -424.92279 12008.557
4180 314.15076 -3162.0512 -2694.7758 -325.03418 12008.674
4190 307.22147 -3156.6104 -2699.6418 -192.79969 12008.784
4200 300.71344 -3153.2874 -2705.9989 -89.70648 12008.89
4210 296.83395 -3149.1777 -2707.6597 -7.1867327 12008.994
4220 296.96475 -3149.3919 -2707.6793 -15.913014 12009.098
4230 300.95187 -3152.6514 -2705.0083 -99.957113 12009.201
4240 307.4099 -3157.5245 -2700.2756 -229.56455 12009.303
4250 314.46209 -3162.3985 -2694.66 -364.25104 12009.399
4260 319.34474 -3166.2611 -2691.26 -462.86289 12009.489
4270 319.43596 -3165.6821 -2690.5453 -461.49344 12009.568
4280 314.69748 -3165.1086 -2697.02 -409.32138 12009.638
4290 307.84968 -3161.5846 -2703.6815 -298.38146 12009.7
4300 301.51438 -3158.788 -2710.3082 -196.42366 12009.755
4310 297.09967 -3155.6999 -2713.7867 -80.832821 12009.807
4320 295.45695 -3155.6651 -2716.1952 -55.513275 12009.856
4330 296.83309 -3154.3868 -2712.8701 -44.309935 12009.905
4340 298.85725 -3156.1818 -2711.6543 -72.569322 12009.953
4350 299.12009 -3156.6517 -2711.7332 -72.832154 12009.999
4360 297.85913 -3157.1442 -2714.1013 -63.268407 12010.044
4370 297.00948 -3156.6026 -2714.8235 -50.946025 12010.088
4380 298.06022 -3157.7406 -2714.3986 -79.060499 12010.13
4390 300.5694 -3159.8671 -2712.7929 -134.73153 12010.171
4400 302.68572 -3161.0773 -2710.8552 -177.33064 12010.209
4410 303.2289 -3161.9927 -2710.9627 -229.69922 12010.243
4420 302.27026 -3160.4786 -2710.8745 -212.52921 12010.273
4430 300.53518 -3160.8257 -2713.8024 -205.90588 12010.298
4440 298.65782 -3157.9273 -2713.6964 -161.64061 12010.318
4450 297.71374 -3157.0836 -2714.257 -149.27291 12010.336
4460 298.83123 -3158.8995 -2714.4107 -188.271 12010.35
4470 302.09324 -3160.9344 -2711.5936 -253.60153 12010.36
4480 305.66639 -3163.3074 -2708.6518 -331.77079 12010.365
4490 307.6141 -3164.4893 -2706.9367 -387.27454 12010.362
4500 307.67151 -3164.1757 -2706.5377 -410.52097 12010.352
4510 307.01696 -3164.5861 -2707.9217 -431.70214 12010.334
4520 306.60908 -3163.4493 -2707.3916 -430.25693 12010.306
4530 306.02007 -3164.4315 -2709.2498 -439.36463 12010.269
4540 303.86902 -3162.1579 -2710.1758 -390.25708 12010.223
4550 300.54342 -3160.6956 -2713.66 -334.61034 12010.169
4560 298.15229 -3157.0807 -2713.6018 -261.45903 12010.107
4570 297.89454 -3158.1452 -2715.0496 -260.61644 12010.04
4580 299.68695 -3160.2872 -2714.5256 -293.88356 12009.968
4590 302.6513 -3162.9336 -2712.7627 -346.51445 12009.889
4600 304.9911 -3165.5686 -2711.9175 -394.01027 12009.803
4610 304.7439 -3165.3333 -2712.0498 -385.97344 12009.709
4620 301.63965 -3161.5248 -2712.8587 -313.66379 12009.607
4630 297.85282 -3159.7664 -2716.7329 -259.37886 12009.498
4640 296.33272 -3157.7764 -2717.0039 -223.66823 12009.384
4650 298.21803 -3158.0107 -2714.434 -246.30031 12009.265
4660 302.4913 -3162.0388 -2712.1059 -338.66187 12009.141
4670 307.63216 -3164.7995 -2707.22 -430.15295 12009.009
4680 312.56506 -3166.7701 -2701.8533 -511.40326 12008.868
4690 316.15749 -3169.7113 -2699.451 -586.92398 12008.717
4700 317.30282 -3171.192 -2699.2281 -613.8992 12008.553
4710 314.90959 -3170.6255 -2702.2213 -573.60403 12008.376
4720 308.37345 -3168.8003 -2710.1182 -471.13001 12008.188
4730 298.80347 -3163.5431 -2719.0956 -297.64795 12007.989
4740 289.63642 -3158.8075 -2727.9953 -134.88607 12007.784
4750 284.95559 -3156.5994 -2732.7496 -47.538504 12007.576
4760 286.38948 -3157.3265 -2731.3438 -59.339868 12007.367
4770 292.15489 -3161.6709 -2727.1126 -163.67906 12007.157
4780 298.66844 -3166.1157 -2721.869 -287.98557 12006.943
4790 302.65747 -3167.9957 -2717.8156 -370.65102 12006.723
4800 303.16924 -3167.9978 -2717.0565 -405.67026 12006.495
4810 301.3508 -3168.0189 -2719.7824 -387.98884 12006.259
4820 298.90895 -3166.6972 -2722.0927 -372.15831 12006.015
4830 297.71411 -3165.822 -2722.9948 -365.1311 12005.763
4840 298.40594 -3167.0163 -2723.16 -388.07202 12005.503
4850 299.91086 -3167.183 -2721.0883 -397.09203 12005.234
4860 300.49056 -3168.0381 -2721.0812 -394.51206 12004.957
4870 298.71671 -3167.9549 -2723.6364 -350.90236 12004.672
4880 295.03125 -3162.4958 -2723.6592 -226.44177 12004.38
4890 291.8972 -3161.2205 -2727.0456 -151.25293 12004.082
4900 290.67819 -3159.6598 -2727.298 -92.943002 12003.781
4910 290.77748 -3161.7466 -2729.2372 -122.94087 12003.478
4920 290.96729 -3161.2565 -2728.4647 -109.38752 12003.172
4930 290.74711 -3160.2319 -2727.7676 -98.738561 12002.863
4940 291.60269 -3164.1191 -2730.3822 -159.93842 12002.553
4950 294.63927 -3166.7958 -2728.5422 -230.80232 12002.239
4960 298.66352 -3171.5701 -2727.3308 -334.59643 12001.92
4970 301.12321 -3171.2457 -2723.3478 -368.09662 12001.594
4980 300.70746 -3172.3288 -2725.0492 -393.01029 12001.259
4990 298.88151 -3170.5167 -2725.9531 -375.09192 12000.917
5000 298.2112 -3172.2171 -2728.6505 -408.05702 12000.567
Loop time of 1.61522 on 1 procs for 5000 steps with 500 atoms
Performance: 267.455 ns/day, 0.090 hours/ns, 3095.550 timesteps/s
99.9% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.3038 | 1.3038 | 1.3038 | 0.0 | 80.72
Bond | 0.00038171 | 0.00038171 | 0.00038171 | 0.0 | 0.02
Neigh | 0.023943 | 0.023943 | 0.023943 | 0.0 | 1.48
Comm | 0.046373 | 0.046373 | 0.046373 | 0.0 | 2.87
Output | 0.0046856 | 0.0046856 | 0.0046856 | 0.0 | 0.29
Modify | 0.17719 | 0.17719 | 0.17719 | 0.0 | 10.97
Other | | 0.05886 | | | 3.64
Nlocal: 500 ave 500 max 500 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1623 ave 1623 max 1623 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 14680 ave 14680 max 14680 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14680
Ave neighs/atom = 29.36
Ave special neighs/atom = 0
Neighbor list builds = 24
Dangerous builds = 0
#write_data lj-out.data
Total wall time: 0:00:01

View File

@ -1,583 +0,0 @@
LAMMPS (9 Nov 2016)
Processor partition = 1
# LJ particles
variable lambda world 400 405 410 415
variable rep world 0 1 2 3
#variable walker world 1 0 2 3
variable T0 equal 300.0
variable press equal 0.0
units real
atom_style full
pair_style lj/cut 5.0
read_data "lj.data"
orthogonal box = (1.06874 1.06874 1.06874) to (23.9313 23.9313 23.9313)
1 by 1 by 1 MPI processor grid
reading atoms ...
500 atoms
reading velocities ...
500 velocities
0 = max # of 1-2 neighbors
0 = max # of 1-3 neighbors
0 = max # of 1-4 neighbors
1 = max # of special neighbors
thermo 10
thermo_style custom step temp pe etotal press vol
timestep 1.0
fix fxnpt all npt temp ${T0} ${T0} 1000.0 iso ${press} ${press} 10000.0
fix fxnpt all npt temp 300 ${T0} 1000.0 iso ${press} ${press} 10000.0
fix fxnpt all npt temp 300 300 1000.0 iso ${press} ${press} 10000.0
fix fxnpt all npt temp 300 300 1000.0 iso 0 ${press} 10000.0
fix fxnpt all npt temp 300 300 1000.0 iso 0 0 10000.0
fix fxgREM all grem ${lambda} -.01 -30000 fxnpt
fix fxgREM all grem 405 -.01 -30000 fxnpt
thermo_modify press fxgREM_press
grem 5000 100 ${lambda} fxgREM fxnpt 10294 98392 #${walker}
grem 5000 100 405 fxgREM fxnpt 10294 98392
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 10 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 7
ghost atom cutoff = 7
binsize = 3.5 -> bins = 7 7 7
Memory usage per processor = 5.37943 Mbytes
Step Temp PotEng TotEng Press Volume
0 305.69499 -3177.6423 -2722.9442 -62.752811 11950.115
10 311.60015 -3181.9139 -2718.4323 -166.02863 11950.114
20 313.01128 -3185.1111 -2719.5305 -202.7877 11950.109
30 308.99767 -3181.8671 -2722.2564 -111.05689 11950.101
40 301.56512 -3178.0135 -2729.4582 19.232605 11950.091
50 295.06596 -3173.2153 -2734.327 145.17688 11950.081
60 293.04619 -3169.8773 -2733.9933 205.39099 11950.074
70 295.22193 -3172.4059 -2733.2856 152.54896 11950.071
80 298.54613 -3174.0088 -2729.944 92.61457 11950.072
90 299.90877 -3175.1999 -2729.1084 51.916088 11950.074
100 298.5497 -3173.8838 -2729.8137 65.029852 11950.078
110 295.76941 -3172.5274 -2732.5928 95.989449 11950.084
120 293.40144 -3172.3694 -2735.957 115.82557 11950.091
130 292.6957 -3172.5506 -2737.188 121.97748 11950.101
140 293.97165 -3173.5479 -2736.2874 106.55407 11950.114
150 296.00672 -3175.1917 -2734.9042 83.669789 11950.129
160 296.27696 -3175.1121 -2734.4225 101.24246 11950.145
170 293.12943 -3170.8722 -2734.8644 197.37334 11950.165
180 287.76458 -3165.6552 -2737.6272 324.25863 11950.188
190 283.07046 -3161.286 -2740.2401 433.27631 11950.218
200 281.38125 -3161.1864 -2742.6531 462.38883 11950.257
210 283.38454 -3162.8001 -2741.2871 431.99315 11950.306
220 288.55857 -3167.0858 -2737.8768 337.74737 11950.364
230 295.70638 -3170.998 -2731.1572 229.38644 11950.429
240 302.47231 -3176.361 -2726.4564 113.35999 11950.499
250 306.11353 -3178.9477 -2723.6271 64.12825 11950.572
260 305.48635 -3178.3804 -2723.9926 97.730271 11950.646
270 301.39844 -3175.2004 -2726.893 199.16744 11950.723
280 295.85703 -3170.777 -2730.7121 329.36322 11950.803
290 291.09338 -3168.9804 -2736.0011 416.89905 11950.891
300 288.85328 -3166.3989 -2736.7515 477.76439 11950.987
310 289.67389 -3166.9396 -2736.0716 459.80548 11951.094
320 293.31485 -3170.3122 -2734.0286 368.76598 11951.21
330 299.05214 -3174.8427 -2730.0253 232.27246 11951.333
340 305.768 -3179.5118 -2724.705 75.761311 11951.462
350 312.29251 -3183.1321 -2718.6207 -69.224817 11951.592
360 317.18462 -3184.4613 -2712.6733 -166.66622 11951.722
370 318.47958 -3185.1924 -2711.4782 -211.98602 11951.847
380 314.78385 -3181.6214 -2713.4043 -149.35828 11951.969
390 306.29833 -3175.1987 -2719.6031 0.67673937 11952.087
400 295.49668 -3167.9987 -2728.4697 185.82267 11952.205
410 286.99617 -3162.4272 -2735.5422 299.00075 11952.328
420 285.53897 -3163.1769 -2738.4593 300.1696 11952.456
430 290.81959 -3167.6664 -2735.0944 192.65868 11952.59
440 298.70443 -3173.9887 -2729.6884 39.11937 11952.729
450 304.35464 -3176.4865 -2723.7821 -49.112071 11952.869
460 305.30591 -3177.0945 -2722.9751 -67.205653 11953.007
470 302.62711 -3174.5417 -2724.4068 -10.669513 11953.145
480 300.09827 -3172.4813 -2726.1079 45.243684 11953.283
490 300.92915 -3173.8008 -2726.1915 35.226287 11953.421
500 305.7471 -3177.3314 -2722.5557 -36.227782 11953.561
510 311.25466 -3178.8147 -2715.8469 -65.785867 11953.7
520 313.78785 -3181.7049 -2714.9693 -113.09397 11953.838
530 312.08352 -3179.8797 -2715.6791 -70.791362 11953.973
540 307.64403 -3176.2039 -2718.6068 16.077015 11954.107
550 303.70062 -3174.1812 -2722.4495 79.299069 11954.242
560 302.8189 -3172.6611 -2722.241 111.62152 11954.378
570 303.75753 -3171.4536 -2719.6373 129.92121 11954.517
580 302.34894 -3170.0969 -2720.3758 175.12568 11954.659
590 296.29472 -3167.1748 -2726.4588 280.68096 11954.804
600 287.31527 -3160.0371 -2732.6774 456.49528 11954.955
610 279.47813 -3154.0141 -2738.3115 633.99508 11955.117
620 275.74839 -3152.4438 -2742.289 688.88698 11955.291
630 277.78538 -3154.7833 -2741.5986 639.15328 11955.48
640 284.2723 -3157.6132 -2734.7797 537.42455 11955.683
650 291.97201 -3164.3201 -2730.0339 380.44578 11955.897
660 297.61225 -3169.3176 -2726.6419 263.61137 11956.118
670 299.88977 -3172.3469 -2726.2836 203.53571 11956.346
680 299.75621 -3173.5469 -2727.6823 191.44564 11956.578
690 298.27589 -3171.8306 -2728.1678 228.10092 11956.814
700 295.61235 -3168.8882 -2729.1872 289.43289 11957.055
710 292.07312 -3168.2223 -2733.7857 330.58705 11957.302
720 288.34528 -3166.1067 -2737.215 382.91449 11957.556
730 285.27824 -3164.3218 -2739.992 415.82668 11957.819
740 283.72517 -3162.6798 -2740.6601 421.05555 11958.09
750 284.48429 -3162.3976 -2739.2487 379.65827 11958.37
760 287.63082 -3164.3168 -2736.4877 284.72353 11958.657
770 292.49011 -3168.8791 -2733.8222 142.88268 11958.951
780 297.86186 -3171.1731 -2728.1261 24.483844 11959.248
790 302.63099 -3175.9357 -2725.795 -106.67462 11959.546
800 305.69233 -3177.9166 -2723.2224 -177.99374 11959.841
810 306.22296 -3178.1218 -2722.6384 -189.1735 11960.133
820 303.73754 -3177.3878 -2725.6012 -144.15904 11960.422
830 298.51262 -3172.7579 -2728.743 -13.463527 11960.707
840 291.5943 -3168.6492 -2734.9248 141.44286 11960.993
850 284.63332 -3163.9906 -2740.6201 312.37684 11961.281
860 279.12973 -3160.2184 -2745.0341 463.83439 11961.576
870 275.31781 -3156.981 -2747.4666 590.88218 11961.881
880 272.34608 -3154.3294 -2749.2353 693.12196 11962.199
890 270.15277 -3152.222 -2750.3903 766.81524 11962.531
900 269.406 -3151.9144 -2751.1933 788.99261 11962.879
910 270.48012 -3150.3788 -2748.0601 787.98872 11963.244
920 273.73424 -3153.6582 -2746.4992 696.02598 11963.625
930 279.09027 -3158.2788 -2743.1531 557.34473 11964.021
940 285.46779 -3162.1627 -2737.551 411.07879 11964.428
950 291.27077 -3164.9822 -2731.739 282.89483 11964.845
960 295.2304 -3165.9784 -2726.8456 199.13715 11965.268
970 296.95895 -3166.9848 -2725.2809 146.05767 11965.695
980 297.00272 -3168.1173 -2726.3482 116.41945 11966.125
990 296.5386 -3168.3642 -2727.2855 105.65767 11966.558
1000 297.09199 -3169.3242 -2727.4224 81.791127 11966.993
1010 298.68184 -3171.2781 -2727.0115 39.166174 11967.43
1020 300.08917 -3171.653 -2725.2931 15.090971 11967.868
1030 300.33784 -3171.3466 -2724.6168 9.7505515 11968.307
1040 299.38328 -3170.1903 -2724.8803 25.614546 11968.746
1050 297.91431 -3168.0174 -2724.8925 57.932375 11969.186
1060 296.4955 -3167.3218 -2726.3072 73.110805 11969.627
1070 295.63949 -3167.2859 -2727.5446 73.506374 11970.07
1080 295.78286 -3167.8151 -2727.8605 55.076954 11970.514
1090 296.27355 -3168.0637 -2727.3793 32.549063 11970.96
1100 296.5803 -3168.5718 -2727.431 5.0013879 11971.406
1110 297.23685 -3168.0152 -2725.8979 -14.154765 11971.853
1120 298.31871 -3168.8035 -2725.0771 -48.382807 11972.3
1130 298.97687 -3170.2121 -2725.5066 -82.286142 11972.745
1140 298.9826 -3170.8985 -2726.1845 -98.571517 11973.189
1150 298.72138 -3169.8162 -2725.4908 -88.217982 11973.632
1160 298.14123 -3167.9839 -2724.5214 -61.807701 11974.072
1170 296.68767 -3166.0641 -2724.7637 -21.161634 11974.511
1180 293.79575 -3162.0788 -2725.0799 58.929948 11974.95
1190 289.65155 -3158.7947 -2727.96 143.69319 11975.39
1200 285.70631 -3156.7026 -2731.7361 212.37363 11975.834
1210 284.27212 -3155.1846 -2732.3514 248.80063 11976.282
1220 286.83816 -3156.2099 -2729.5598 215.85422 11976.735
1230 292.6411 -3160.423 -2725.1415 114.65406 11977.193
1240 298.77306 -3163.9421 -2719.5398 17.553846 11977.653
1250 302.14706 -3167.3605 -2717.9397 -49.850517 11978.114
1260 301.11845 -3167.0265 -2719.1356 -30.765917 11978.574
1270 296.4054 -3163.0529 -2722.1724 69.237404 11979.034
1280 289.89357 -3158.6051 -2727.4104 195.3507 11979.496
1290 283.74853 -3155.8636 -2733.8092 300.15333 11979.961
1300 279.39464 -3153.3304 -2737.7521 383.66621 11980.433
1310 277.21027 -3151.5291 -2739.1999 433.04756 11980.914
1320 277.25222 -3150.494 -2738.1023 441.98865 11981.403
1330 280.19529 -3153.2003 -2736.431 370.29178 11981.902
1340 286.51035 -3159.7113 -2733.5489 216.09055 11982.409
1350 295.00108 -3163.6664 -2724.8746 64.292118 11982.921
1360 302.82665 -3170.5695 -2720.1378 -115.04154 11983.434
1370 307.30449 -3171.9534 -2714.8612 -198.15092 11983.945
1380 307.44182 -3171.995 -2714.6986 -216.88575 11984.452
1390 303.64168 -3167.4302 -2715.7862 -136.35799 11984.955
1400 297.29657 -3163.0494 -2720.8433 -27.246024 11985.455
1410 291.87496 -3158.0072 -2723.8653 81.067935 11985.955
1420 291.05353 -3158.4319 -2725.5119 82.784616 11986.457
1430 294.81161 -3160.2309 -2721.7209 22.248664 11986.96
1440 299.68252 -3163.1946 -2717.4395 -64.515423 11987.464
1450 302.43796 -3164.1436 -2714.2901 -106.37207 11987.967
1460 301.55829 -3163.1933 -2714.6482 -84.624702 11988.468
1470 297.25177 -3159.5731 -2717.4336 7.8386106 11988.967
1480 291.32774 -3157.7107 -2724.3828 100.81128 11989.467
1490 286.45802 -3154.2271 -2728.1425 200.9557 11989.969
1500 284.80651 -3153.1316 -2729.5035 238.77804 11990.475
1510 287.30428 -3155.6024 -2728.259 192.17642 11990.986
1520 293.1297 -3159.3491 -2723.3409 96.075686 11991.501
1530 300.02073 -3163.7066 -2717.4485 -19.0959 11992.018
1540 305.52986 -3165.7708 -2711.3183 -96.744263 11992.536
1550 308.39818 -3168.0808 -2709.3619 -151.18744 11993.051
1560 308.92699 -3168.3475 -2708.842 -159.21404 11993.564
1570 308.37008 -3168.116 -2709.4389 -150.57608 11994.073
1580 307.79984 -3167.2182 -2709.3893 -133.64961 11994.579
1590 306.99453 -3167.3359 -2710.7048 -124.27988 11995.083
1600 304.51959 -3167.5971 -2714.6472 -100.78678 11995.585
1610 300.19763 -3164.5693 -2718.0481 -54.579988 11996.084
1620 296.20634 -3160.8524 -2720.2679 24.763098 11996.582
1630 294.05981 -3157.8618 -2720.4701 79.401205 11997.081
1640 293.8233 -3157.6122 -2720.5724 83.74695 11997.582
1650 294.94635 -3158.804 -2720.0937 53.402468 11998.085
1660 297.0831 -3159.6297 -2717.7411 10.960664 11998.588
1670 300.19843 -3159.6643 -2713.1419 -38.059103 11999.093
1680 304.3026 -3163.1261 -2710.499 -137.4816 11999.596
1690 308.43052 -3166.4702 -2707.7032 -235.20723 12000.097
1700 310.51257 -3167.2425 -2705.3786 -282.15476 12000.593
1710 308.79714 -3164.3379 -2705.0255 -216.76468 12001.084
1720 304.11892 -3160.2757 -2707.9218 -127.79726 12001.571
1730 298.9448 -3155.2136 -2710.5558 -12.226385 12002.055
1740 294.92318 -3152.8077 -2714.1319 72.082251 12002.539
1750 292.31645 -3149.8187 -2715.0202 154.11753 12003.024
1760 290.65937 -3148.1563 -2715.8225 213.14134 12003.514
1770 289.39919 -3148.2179 -2717.7585 248.53381 12004.007
1780 288.4062 -3146.8868 -2717.9045 293.87111 12004.506
1790 288.19571 -3145.4476 -2716.7783 329.96059 12005.012
1800 289.12503 -3146.3842 -2716.3326 325.75808 12005.524
1810 291.27312 -3147.3825 -2714.1358 303.51303 12006.044
1820 294.81545 -3149.228 -2710.7124 251.3807 12006.57
1830 299.52097 -3154.9084 -2709.3936 140.42379 12007.101
1840 304.04204 -3157.5621 -2705.3226 59.186802 12007.636
1850 306.9776 -3159.1007 -2702.4948 0.61942876 12008.172
1860 308.23513 -3158.0157 -2699.5394 -15.706726 12008.709
1870 308.61105 -3156.9684 -2697.9329 -23.168979 12009.245
1880 308.5487 -3156.6665 -2697.7237 -31.376568 12009.781
1890 308.04531 -3157.3756 -2699.1815 -43.938253 12010.316
1900 307.13672 -3157.4059 -2700.5633 -41.216095 12010.851
1910 305.53754 -3156.8258 -2702.3619 -21.210945 12011.385
1920 303.49957 -3155.4132 -2703.9806 13.994331 12011.919
1930 302.53625 -3155.022 -2705.0222 29.174276 12012.454
1940 303.57467 -3154.9858 -2703.4414 21.576877 12012.989
1950 305.7845 -3156.2979 -2701.4666 -14.617646 12013.524
1960 307.73125 -3157.2976 -2699.5707 -48.153875 12014.06
1970 308.62642 -3159.0037 -2699.9452 -80.916555 12014.594
1980 308.49311 -3158.5444 -2699.6843 -80.007731 12015.127
1990 307.32669 -3158.9428 -2701.8177 -74.168015 12015.659
2000 303.93147 -3155.2838 -2703.2088 1.5919498 12016.189
2010 297.95934 -3149.6906 -2706.4987 123.02447 12016.719
2020 291.40394 -3145.6676 -2712.2263 230.58055 12017.253
2030 287.24305 -3140.1744 -2712.9222 324.7185 12017.791
2040 288.01152 -3139.5905 -2711.1951 311.18488 12018.336
2050 293.22912 -3143.4398 -2707.2837 197.89997 12018.887
2060 299.976 -3144.9398 -2698.7483 87.658349 12019.443
2070 305.21739 -3148.933 -2694.9453 -41.230559 12020.001
2080 308.02408 -3151.7408 -2693.5784 -134.78775 12020.558
2090 309.29366 -3152.4181 -2692.3673 -184.32666 12021.113
2100 309.28617 -3152.2037 -2692.1639 -202.35336 12021.664
2110 308.20412 -3150.6165 -2692.1862 -215.37633 12022.211
2120 307.3425 -3148.9199 -2691.7712 -192.32011 12022.754
2130 307.92478 -3148.9912 -2690.9764 -194.42306 12023.292
2140 310.30814 -3151.0769 -2689.5171 -226.91123 12023.827
2150 313.01621 -3155.2247 -2689.6368 -278.68674 12024.357
2160 313.75481 -3155.8071 -2689.1206 -270.9868 12024.881
2170 311.86272 -3153.8223 -2689.9501 -211.75585 12025.4
2180 308.71772 -3151.6535 -2692.4593 -142.98631 12025.915
2190 306.30577 -3150.5137 -2694.9071 -98.430667 12026.427
2200 305.76334 -3150.2537 -2695.4539 -87.060745 12026.937
2210 306.50503 -3150.4777 -2694.5747 -67.272465 12027.446
2220 307.21812 -3150.6869 -2693.7232 -76.616982 12027.953
2230 307.48481 -3150.0577 -2692.6973 -71.647714 12028.459
2240 307.33565 -3151.1161 -2693.9776 -80.197859 12028.963
2250 307.44405 -3149.8579 -2692.5581 -63.706525 12029.466
2260 308.20395 -3149.3219 -2690.8919 -58.058883 12029.968
2270 308.59913 -3148.8009 -2689.7831 -45.690416 12030.469
2280 307.3271 -3147.1116 -2689.9858 -2.9373738 12030.969
2290 304.76604 -3145.1774 -2691.861 52.792388 12031.47
2300 302.95699 -3145.2225 -2694.597 77.319744 12031.971
2310 303.52799 -3144.826 -2693.3511 51.870418 12032.474
2320 306.47162 -3146.1703 -2690.317 10.796468 12032.978
2330 310.02953 -3150.0375 -2688.8921 -65.711821 12033.483
2340 312.48105 -3151.0531 -2686.2612 -101.7287 12033.986
2350 312.90513 -3151.0896 -2685.667 -107.31108 12034.487
2360 311.38098 -3150.471 -2687.3154 -86.954149 12034.987
2370 308.99454 -3147.4324 -2687.8265 -33.123386 12035.484
2380 307.49576 -3148.5507 -2691.174 -36.127598 12035.981
2390 307.57555 -3148.6345 -2691.1392 -46.085151 12036.478
2400 308.08339 -3150.062 -2691.8113 -81.736924 12036.974
2410 308.95607 -3150.0295 -2690.4808 -112.33376 12037.468
2420 311.17539 -3151.5666 -2688.7168 -175.21499 12037.959
2430 314.81965 -3155.5174 -2687.247 -278.96652 12038.447
2440 320.1513 -3159.5609 -2683.3601 -395.74904 12038.93
2450 326.40299 -3162.655 -2677.1553 -501.75775 12039.404
2460 331.13223 -3165.5094 -2672.9753 -577.78615 12039.867
2470 332.32552 -3166.894 -2672.585 -589.38869 12040.319
2480 329.3184 -3165.3071 -2675.4709 -515.25584 12040.758
2490 322.71202 -3159.711 -2679.7013 -353.73441 12041.187
2500 314.40558 -3153.2354 -2685.5809 -164.41063 12041.609
2510 307.47146 -3149.0126 -2691.6721 -18.004273 12042.027
2520 304.53828 -3147.5022 -2694.5246 50.333121 12042.444
2530 305.74246 -3147.35 -2692.5813 50.774947 12042.863
2540 308.87668 -3149.4218 -2689.9911 -4.919841 12043.283
2550 311.02492 -3149.908 -2687.282 -46.680841 12043.702
2560 310.75302 -3149.5455 -2687.324 -66.409723 12044.122
2570 309.04749 -3148.2152 -2688.5305 -66.378895 12044.54
2580 307.84893 -3147.3619 -2689.4599 -74.867629 12044.956
2590 307.91443 -3148.5508 -2690.5514 -113.48991 12045.372
2600 308.40617 -3146.3453 -2687.6145 -115.82531 12045.785
2610 308.42401 -3146.4543 -2687.697 -136.88818 12046.196
2620 307.96426 -3144.3993 -2686.3258 -128.85456 12046.604
2630 308.03066 -3144.4107 -2686.2384 -146.50663 12047.01
2640 309.09409 -3143.914 -2684.16 -162.95504 12047.413
2650 309.57325 -3144.6052 -2684.1384 -182.76323 12047.812
2660 307.93753 -3143.9961 -2685.9623 -164.10307 12048.208
2670 304.24729 -3143.4444 -2690.8996 -124.43929 12048.601
2680 300.54081 -3140.6507 -2693.619 -58.165845 12048.991
2690 298.8827 -3138.3199 -2693.7545 -15.512181 12049.38
2700 299.49241 -3137.9202 -2692.4479 -16.528519 12049.769
2710 301.25418 -3140.4068 -2692.314 -62.018974 12050.158
2720 302.92904 -3141.7801 -2691.1961 -97.155306 12050.545
2730 304.41068 -3141.5748 -2688.787 -113.62426 12050.931
2740 306.30723 -3144.1523 -2688.5435 -164.72746 12051.315
2750 309.06067 -3145.2041 -2685.4998 -205.28962 12051.695
2760 311.78751 -3147.5545 -2683.7942 -256.45454 12052.07
2770 312.98295 -3148.2122 -2682.6738 -271.62591 12052.441
2780 311.96683 -3146.5881 -2682.5611 -239.13928 12052.806
2790 309.19965 -3145.0927 -2685.1817 -190.16505 12053.166
2800 305.82167 -3143.1883 -2688.3018 -133.50266 12053.522
2810 303.77469 -3142.3176 -2690.4758 -106.34559 12053.875
2820 304.55323 -3142.0427 -2689.0428 -119.81829 12054.227
2830 307.88686 -3145.8663 -2687.908 -209.41813 12054.576
2840 312.0097 -3148.7792 -2684.6884 -299.27472 12054.92
2850 314.69562 -3152.1652 -2684.0793 -382.50354 12055.259
2860 315.15563 -3152.6014 -2683.8313 -412.62759 12055.589
2870 314.29466 -3151.884 -2684.3945 -415.9682 12055.911
2880 313.58959 -3150.4843 -2684.0435 -409.97164 12056.224
2890 313.79525 -3149.0475 -2682.3008 -407.77715 12056.529
2900 314.53595 -3149.9468 -2682.0984 -433.63454 12056.824
2910 315.52987 -3150.8848 -2681.558 -458.53477 12057.111
2920 316.79674 -3152.8013 -2681.5901 -491.81813 12057.388
2930 317.90659 -3153.9553 -2681.0933 -510.43429 12057.655
2940 318.03722 -3152.6085 -2679.5523 -489.6307 12057.911
2950 317.20905 -3152.5892 -2680.7647 -472.55764 12058.157
2960 315.88916 -3151.974 -2682.1129 -443.09837 12058.394
2970 313.86886 -3151.0205 -2684.1643 -403.58937 12058.62
2980 310.82011 -3149.5024 -2687.181 -351.14682 12058.839
2990 307.71278 -3147.5513 -2689.8518 -295.67977 12059.05
3000 305.93134 -3146.3658 -2691.3161 -264.88149 12059.254
3010 306.39142 -3144.8609 -2689.1269 -253.4312 12059.454
3020 308.43959 -3146.5357 -2687.7552 -291.32679 12059.647
3030 309.96717 -3146.2767 -2685.224 -302.52135 12059.835
3040 309.28618 -3146.2374 -2686.1976 -294.90409 12060.016
3050 306.824 -3143.9406 -2687.5631 -242.72387 12060.192
3060 304.08667 -3143.169 -2690.8631 -201.13225 12060.362
3070 302.45925 -3141.173 -2691.2878 -153.95669 12060.528
3080 302.48783 -3140.3005 -2690.3728 -132.00133 12060.691
3090 302.94619 -3139.3237 -2688.7142 -115.26384 12060.851
3100 303.0494 -3138.2361 -2687.473 -99.689438 12061.009
3110 304.09768 -3140.4194 -2688.0971 -133.2066 12061.165
3120 307.33757 -3140.9284 -2683.787 -171.95433 12061.318
3130 311.76084 -3143.1603 -2679.4397 -242.94149 12061.467
3140 314.93261 -3145.0756 -2676.6372 -302.55017 12061.612
3150 315.74288 -3145.7893 -2676.1457 -329.72521 12061.75
3160 314.91865 -3144.0837 -2675.6661 -314.42224 12061.881
3170 313.41504 -3143.3665 -2677.1853 -302.56041 12062.005
3180 311.96324 -3144.6585 -2680.6368 -312.95221 12062.123
3190 311.26017 -3145.1442 -2682.1683 -320.15761 12062.234
3200 311.20344 -3146.2004 -2683.3089 -338.58403 12062.339
3210 311.12897 -3144.8765 -2682.0957 -330.76648 12062.436
3220 310.93988 -3144.9242 -2682.4247 -335.08364 12062.527
3230 310.8322 -3145.8145 -2683.4752 -349.12423 12062.61
3240 311.47963 -3145.5077 -2682.2054 -358.5759 12062.687
3250 313.47411 -3147.5634 -2681.2944 -406.82363 12062.755
3260 315.62491 -3148.6752 -2679.2071 -445.90548 12062.815
3270 315.49549 -3150.0829 -2680.8072 -467.55205 12062.865
3280 311.81117 -3147.1166 -2683.3212 -412.15048 12062.906
3290 306.35064 -3143.7345 -2688.0612 -340.37495 12062.938
3300 302.6682 -3140.3758 -2690.1798 -289.45625 12062.963
3310 302.68539 -3138.209 -2687.9874 -259.47517 12062.982
3320 305.42003 -3140.8397 -2686.5506 -337.13241 12062.995
3330 309.05003 -3142.1289 -2682.4404 -408.22574 12063.001
3340 311.92214 -3144.8586 -2680.8981 -483.29141 12062.999
3350 312.95046 -3144.1925 -2678.7024 -496.33164 12062.987
3360 312.0132 -3145.7022 -2681.6062 -503.69131 12062.963
3370 309.32923 -3144.936 -2684.8322 -459.98197 12062.93
3380 305.52565 -3143.6451 -2689.1989 -393.49402 12062.886
3390 301.52248 -3142.608 -2694.1162 -325.78947 12062.835
3400 298.20321 -3141.7863 -2698.2316 -270.02742 12062.776
3410 296.05456 -3139.4187 -2699.06 -213.22769 12062.711
3420 294.63789 -3138.6173 -2700.3658 -188.17158 12062.642
3430 293.92133 -3139.3576 -2702.1719 -192.66094 12062.569
3440 294.3327 -3141.1501 -2703.3525 -220.20203 12062.492
3450 295.52195 -3142.0394 -2702.4729 -241.76865 12062.41
3460 296.18317 -3141.7714 -2701.2214 -239.25458 12062.324
3470 294.91514 -3139.884 -2701.2201 -195.81495 12062.232
3480 292.03887 -3138.5785 -2704.1928 -141.54433 12062.136
3490 289.63646 -3137.0772 -2706.2649 -92.044485 12062.037
3500 289.81659 -3136.3312 -2705.251 -78.939006 12061.936
3510 293.23767 -3138.3827 -2702.2139 -131.50282 12061.833
3520 298.68384 -3143.8262 -2699.5566 -241.95878 12061.727
3530 303.02684 -3146.2658 -2695.5364 -306.25226 12061.617
3540 303.56975 -3146.0361 -2694.4991 -301.53385 12061.5
3550 300.74468 -3146.7309 -2699.396 -270.86141 12061.376
3560 297.10472 -3143.8308 -2701.91 -189.74844 12061.247
3570 294.82336 -3140.0421 -2701.5146 -112.34542 12061.114
3580 294.51128 -3139.2149 -2701.1517 -91.058802 12060.979
3590 295.43574 -3141.4848 -2702.0465 -122.31525 12060.841
3600 296.19382 -3141.5369 -2700.971 -134.23987 12060.701
3610 296.03131 -3142.6536 -2702.3294 -184.5849 12060.558
3620 295.7329 -3141.705 -2701.8247 -191.71877 12060.41
3630 297.31269 -3143.0753 -2700.8452 -246.60489 12060.259
3640 302.7961 -3145.9054 -2695.5192 -352.67036 12060.102
3650 311.9312 -3152.9224 -2688.9484 -531.9462 12059.938
3660 321.51227 -3158.536 -2680.3108 -690.06056 12059.763
3670 327.5904 -3161.6521 -2674.3862 -777.95261 12059.573
3680 328.36261 -3161.0472 -2672.6327 -766.6096 12059.366
3690 324.68251 -3160.1907 -2677.25 -706.40143 12059.144
3700 319.06493 -3156.3122 -2681.7273 -596.15725 12058.906
3710 314.81916 -3150.5715 -2682.3018 -517.5345 12058.655
3720 315.49911 -3149.7615 -2680.4805 -516.79523 12058.393
3730 321.65793 -3153.8446 -2675.4028 -624.9492 12058.12
3740 330.74307 -3159.0538 -2667.0986 -772.23175 12057.833
3750 338.32647 -3164.4778 -2661.2428 -904.13375 12057.53
3760 340.45879 -3167.2718 -2660.8651 -953.33666 12057.207
3770 336.13109 -3164.4076 -2664.4381 -875.51366 12056.865
3780 327.40287 -3159.8584 -2672.8715 -733.51249 12056.504
3790 317.66824 -3151.6283 -2679.1208 -538.60946 12056.127
3800 309.41778 -3145.5538 -2685.3183 -379.47185 12055.739
3810 303.81861 -3141.6013 -2689.6941 -269.05569 12055.342
3820 301.45022 -3140.148 -2691.7636 -216.2161 12054.94
3830 301.81002 -3140.737 -2691.8175 -210.86486 12054.532
3840 303.36702 -3143.422 -2692.1866 -238.56918 12054.12
3850 304.39495 -3144.7099 -2691.9455 -245.99998 12053.703
3860 304.11003 -3143.8264 -2691.4858 -220.98191 12053.281
3870 303.15057 -3142.5013 -2691.5878 -193.13956 12052.854
3880 303.46379 -3142.5347 -2691.1553 -200.65327 12052.423
3890 306.20237 -3145.7276 -2690.2748 -275.24715 12051.987
3900 310.97197 -3149.0631 -2686.5159 -377.19804 12051.546
3910 315.90182 -3151.9808 -2682.1008 -480.21468 12051.096
3920 319.03997 -3153.7341 -2679.1864 -554.63876 12050.636
3930 319.49013 -3154.264 -2679.0466 -586.31405 12050.164
3940 317.55764 -3155.3458 -2683.0028 -594.91016 12049.68
3950 314.82456 -3155.1179 -2686.8402 -568.83348 12049.183
3960 311.94564 -3154.2715 -2690.276 -521.58687 12048.673
3970 308.0203 -3153.2718 -2695.115 -456.42898 12048.153
3980 303.5303 -3149.0062 -2697.5278 -351.20107 12047.622
3990 302.22396 -3147.3416 -2697.8063 -307.8439 12047.085
4000 306.62484 -3151.1069 -2695.0257 -382.91919 12046.54
4010 315.11967 -3157.2869 -2688.5702 -530.30379 12045.987
4020 324.26337 -3163.1086 -2680.7914 -685.52355 12045.422
4030 331.0927 -3167.9538 -2675.4785 -809.30248 12044.843
4040 334.22894 -3170.3966 -2673.2564 -867.96226 12044.247
4050 333.80694 -3168.5479 -2672.0354 -838.98501 12043.632
4060 330.89767 -3166.5267 -2674.3415 -779.73412 12042.999
4070 327.46153 -3165.2159 -2678.1417 -722.47734 12042.349
4080 325.39754 -3164.9342 -2680.93 -691.5229 12041.684
4090 325.23987 -3163.9294 -2680.1598 -672.12862 12041.004
4100 325.65487 -3165.0101 -2680.6232 -683.28825 12040.309
4110 324.62621 -3163.818 -2680.9612 -624.62762 12039.6
4120 321.07737 -3161.0497 -2683.4715 -550.47897 12038.878
4130 315.63606 -3158.1834 -2688.6987 -451.23667 12038.144
4140 309.82811 -3153.225 -2692.3791 -320.08668 12037.4
4150 305.20161 -3149.5944 -2695.6301 -210.22785 12036.649
4160 302.26234 -3149.8643 -2700.272 -156.46552 12035.893
4170 300.22411 -3147.0605 -2700.4999 -78.078324 12035.134
4180 297.98815 -3144.3829 -2701.1481 -4.484414 12034.373
4190 295.54168 -3142.6123 -2703.0165 50.814534 12033.611
4200 294.29301 -3141.2553 -2703.5167 77.822162 12032.851
4210 295.68119 -3143.7837 -2703.9804 26.321199 12032.091
4220 299.14999 -3145.7504 -2700.7875 -46.181269 12031.332
4230 302.27245 -3148.5369 -2698.9296 -127.18452 12030.572
4240 302.90332 -3150.6888 -2700.143 -176.90303 12029.81
4250 301.11194 -3150.0172 -2702.136 -168.40897 12029.043
4260 299.10527 -3148.9351 -2704.0386 -146.6388 12028.273
4270 299.06383 -3148.9198 -2704.085 -149.99361 12027.5
4280 301.43039 -3150.1406 -2701.7857 -188.95342 12026.723
4290 305.5767 -3154.9357 -2700.4135 -285.43998 12025.941
4300 310.83185 -3160.6182 -2698.2794 -403.85517 12025.154
4310 317.06389 -3164.8432 -2693.2347 -543.24136 12024.358
4320 322.95485 -3168.3197 -2687.9488 -639.00392 12023.55
4330 326.40311 -3170.0765 -2684.5766 -686.59281 12022.728
4340 326.21514 -3170.2496 -2685.0293 -675.03914 12021.892
4350 323.39458 -3167.3886 -2686.3637 -596.77812 12021.041
4360 319.87576 -3166.5727 -2690.7817 -528.21342 12020.177
4370 316.73747 -3164.8216 -2693.6986 -453.04781 12019.302
4380 314.96675 -3164.8848 -2696.3956 -412.9647 12018.418
4390 314.56884 -3164.1329 -2696.2356 -377.92459 12017.524
4400 313.32672 -3163.0955 -2697.0458 -333.27043 12016.622
4410 308.91963 -3158.8349 -2699.3404 -193.65934 12015.713
4420 301.71293 -3153.987 -2705.2119 -50.916421 12014.8
4430 294.95555 -3149.7021 -2710.9781 79.604914 12013.885
4440 291.62912 -3148.9172 -2715.141 137.05098 12012.972
4450 292.16079 -3150.7427 -2716.1756 122.52208 12012.061
4460 295.14877 -3153.9665 -2714.955 59.481395 12011.153
4470 298.94857 -3156.8179 -2712.1546 -16.426081 12010.246
4480 302.38796 -3158.3782 -2708.599 -80.906152 12009.338
4490 304.50462 -3159.9653 -2707.0378 -137.12139 12008.428
4500 305.03516 -3159.2948 -2705.5781 -155.18025 12007.516
4510 304.93714 -3160.0388 -2706.4679 -181.36914 12006.599
4520 305.46927 -3161.7353 -2707.3729 -218.48973 12005.679
4530 306.90568 -3161.5466 -2705.0477 -232.09965 12004.754
4540 307.78381 -3163.2145 -2705.4094 -250.7861 12003.824
4550 307.31962 -3163.8431 -2706.7285 -234.22595 12002.888
4560 306.01852 -3163.2445 -2708.0651 -187.63343 12001.947
4570 305.21352 -3163.3756 -2709.3936 -144.85424 12001.002
4580 304.9509 -3163.2173 -2709.6259 -99.301888 12000.054
4590 304.61976 -3162.3535 -2709.2547 -45.538955 11999.103
4600 304.19897 -3159.9789 -2707.506 22.986448 11998.152
4610 304.15782 -3161.9392 -2709.5274 36.65651 11997.2
4620 304.61313 -3163.1777 -2710.0887 49.751742 11996.249
4630 305.12009 -3162.3511 -2708.508 82.41742 11995.299
4640 305.2733 -3162.4675 -2708.3966 104.1394 11994.35
4650 305.50784 -3161.9778 -2707.558 127.61754 11993.403
4660 306.30804 -3162.9239 -2707.3139 127.8487 11992.459
4670 307.27748 -3162.932 -2705.88 135.40475 11991.518
4680 307.67849 -3163.8679 -2706.2195 135.17096 11990.578
4690 307.56524 -3164.4542 -2706.9742 142.19999 11989.642
4700 306.84049 -3163.5779 -2707.1759 168.34718 11988.709
4710 305.14196 -3162.9612 -2709.0857 195.63505 11987.778
4720 302.7104 -3161.0544 -2710.7956 238.59421 11986.852
4730 300.25707 -3158.3431 -2711.7335 287.3777 11985.93
4740 297.74024 -3157.5586 -2714.6926 311.36239 11985.015
4750 295.10492 -3158.5311 -2719.5849 315.41899 11984.105
4760 292.75357 -3157.9801 -2722.5314 332.9268 11983.202
4770 292.39481 -3158.382 -2723.4669 320.43728 11982.305
4780 296.34539 -3160.2556 -2719.4643 253.79476 11981.416
4790 304.33686 -3164.08 -2711.402 134.14463 11980.531
4800 312.70131 -3170.3997 -2705.2802 -9.0843501 11979.649
4810 318.1799 -3172.4028 -2699.1343 -100.91501 11978.766
4820 319.88952 -3172.8569 -2697.0455 -108.66051 11977.881
4830 319.15295 -3171.0564 -2696.3406 -66.588424 11976.994
4840 317.52938 -3170.7819 -2698.481 -33.256168 11976.105
4850 316.03843 -3170.3324 -2700.2492 -2.644319 11975.215
4860 314.76932 -3169.5011 -2701.3056 24.437258 11974.325
4870 312.54535 -3168.5722 -2703.6846 52.845772 11973.435
4880 308.60594 -3168.7544 -2709.7265 74.669546 11972.546
4890 304.4867 -3167.2374 -2714.3365 109.49764 11971.659
4900 302.72355 -3165.4185 -2715.1401 122.6343 11970.774
4910 303.59309 -3166.5256 -2714.9539 110.35084 11969.891
4920 305.00076 -3166.9467 -2713.2812 78.169127 11969.01
4930 305.18742 -3169.9572 -2716.014 37.623686 11968.131
4940 303.22659 -3169.1443 -2718.1177 69.195103 11967.252
4950 299.93904 -3166.3766 -2720.24 143.90294 11966.375
4960 297.68232 -3166.4065 -2723.6266 187.24803 11965.5
4970 297.98969 -3167.1224 -2723.8853 208.41191 11964.63
4980 299.73467 -3168.0225 -2722.1898 218.98569 11963.763
4990 300.69832 -3168.6548 -2721.3888 239.04157 11962.901
5000 299.82834 -3167.2511 -2721.2792 294.16302 11962.043
Loop time of 1.61547 on 1 procs for 5000 steps with 500 atoms
Performance: 267.414 ns/day, 0.090 hours/ns, 3095.071 timesteps/s
99.8% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.3128 | 1.3128 | 1.3128 | 0.0 | 81.27
Bond | 0.0004549 | 0.0004549 | 0.0004549 | 0.0 | 0.03
Neigh | 0.02354 | 0.02354 | 0.02354 | 0.0 | 1.46
Comm | 0.046038 | 0.046038 | 0.046038 | 0.0 | 2.85
Output | 0.0047991 | 0.0047991 | 0.0047991 | 0.0 | 0.30
Modify | 0.17922 | 0.17922 | 0.17922 | 0.0 | 11.09
Other | | 0.04857 | | | 3.01
Nlocal: 500 ave 500 max 500 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1603 ave 1603 max 1603 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 14679 ave 14679 max 14679 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14679
Ave neighs/atom = 29.358
Ave special neighs/atom = 0
Neighbor list builds = 24
Dangerous builds = 0
#write_data lj-out.data
Total wall time: 0:00:01

View File

@ -1,583 +0,0 @@
LAMMPS (9 Nov 2016)
Processor partition = 2
# LJ particles
variable lambda world 400 405 410 415
variable rep world 0 1 2 3
#variable walker world 1 0 2 3
variable T0 equal 300.0
variable press equal 0.0
units real
atom_style full
pair_style lj/cut 5.0
read_data "lj.data"
orthogonal box = (1.06874 1.06874 1.06874) to (23.9313 23.9313 23.9313)
1 by 1 by 1 MPI processor grid
reading atoms ...
500 atoms
reading velocities ...
500 velocities
0 = max # of 1-2 neighbors
0 = max # of 1-3 neighbors
0 = max # of 1-4 neighbors
1 = max # of special neighbors
thermo 10
thermo_style custom step temp pe etotal press vol
timestep 1.0
fix fxnpt all npt temp ${T0} ${T0} 1000.0 iso ${press} ${press} 10000.0
fix fxnpt all npt temp 300 ${T0} 1000.0 iso ${press} ${press} 10000.0
fix fxnpt all npt temp 300 300 1000.0 iso ${press} ${press} 10000.0
fix fxnpt all npt temp 300 300 1000.0 iso 0 ${press} 10000.0
fix fxnpt all npt temp 300 300 1000.0 iso 0 0 10000.0
fix fxgREM all grem ${lambda} -.01 -30000 fxnpt
fix fxgREM all grem 410 -.01 -30000 fxnpt
thermo_modify press fxgREM_press
grem 5000 100 ${lambda} fxgREM fxnpt 10294 98392 #${walker}
grem 5000 100 410 fxgREM fxnpt 10294 98392
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 10 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 7
ghost atom cutoff = 7
binsize = 3.5 -> bins = 7 7 7
Memory usage per processor = 5.37943 Mbytes
Step Temp PotEng TotEng Press Volume
0 305.69499 -3177.6423 -2722.9442 -33.763847 11950.115
10 310.97848 -3181.6232 -2719.0663 -128.71274 11950.114
20 311.30708 -3183.9629 -2720.9172 -143.3426 11950.111
30 306.14136 -3180.0716 -2724.7096 -28.204379 11950.105
40 297.66477 -3175.4315 -2732.6777 127.61053 11950.099
50 290.22432 -3169.5474 -2737.8608 280.80151 11950.095
60 287.43268 -3166.011 -2738.4767 354.38425 11950.097
70 289.22705 -3167.7991 -2737.5958 314.7585 11950.107
80 292.67967 -3169.962 -2734.6232 247.29486 11950.123
90 294.53149 -3171.3933 -2733.3 198.87069 11950.145
100 293.62042 -3170.4881 -2733.75 202.49123 11950.171
110 291.03961 -3168.6701 -2735.7707 236.27128 11950.201
120 288.52969 -3168.7415 -2739.5754 254.18267 11950.236
130 287.45341 -3168.6405 -2741.0753 265.85231 11950.277
140 288.33115 -3168.9867 -2740.116 259.12445 11950.324
150 290.38134 -3170.8133 -2738.8931 231.20019 11950.375
160 291.37384 -3171.7632 -2738.3667 228.6077 11950.432
170 289.27665 -3168.8347 -2738.5577 299.91035 11950.494
180 284.51106 -3163.6315 -2740.4428 421.67204 11950.562
190 279.55125 -3158.9507 -2743.1394 537.795 11950.64
200 276.90949 -3157.6057 -2745.7238 590.69088 11950.728
210 277.74964 -3158.569 -2745.4374 578.99477 11950.829
220 281.84194 -3161.9477 -2742.7292 504.25009 11950.942
230 288.23723 -3166.2846 -2737.5535 395.07151 11951.066
240 295.14381 -3170.4512 -2731.4471 286.20852 11951.198
250 299.93948 -3174.582 -2728.4448 204.02172 11951.336
260 300.95598 -3175.3974 -2727.7482 202.94146 11951.479
270 298.2498 -3173.4641 -2729.8401 275.36278 11951.626
280 293.32436 -3168.6578 -2732.36 404.85476 11951.779
290 288.21316 -3166.3523 -2737.6571 505.53843 11951.94
300 284.79965 -3162.8722 -2739.2543 593.44324 11952.112
310 284.13853 -3162.6394 -2740.0049 604.95747 11952.297
320 286.33057 -3164.8038 -2738.9088 546.65108 11952.494
330 290.95622 -3168.0168 -2735.2415 438.82033 11952.703
340 297.20072 -3173.0222 -2730.9587 284.45396 11952.921
350 303.93112 -3177.5794 -2725.5049 124.36784 11953.145
360 309.88514 -3181.067 -2720.1363 -14.642107 11953.371
370 313.49545 -3182.6424 -2716.3416 -100.20607 11953.598
380 313.04208 -3181.3651 -2715.7387 -101.76403 11953.823
390 307.70817 -3175.7357 -2718.0431 5.080894 11954.046
400 298.42294 -3169.1714 -2725.2899 169.67183 11954.27
410 288.09243 -3161.1081 -2732.5924 396.63263 11954.497
420 280.05211 -3156.4079 -2739.8516 535.47265 11954.732
430 277.31756 -3156.0927 -2743.6038 568.83124 11954.979
440 279.76398 -3159.8054 -2743.6777 501.17959 11955.237
450 284.38813 -3162.9935 -2739.9877 414.88106 11955.506
460 287.74884 -3164.0744 -2736.0698 365.48227 11955.784
470 287.97788 -3164.452 -2736.1067 358.38828 11956.07
480 285.87088 -3161.5523 -2736.3411 414.87743 11956.363
490 284.25793 -3160.3268 -2737.5147 452.50875 11956.665
500 285.44387 -3162.1868 -2737.6107 429.14204 11956.977
510 290.52036 -3166.4896 -2734.3626 313.3303 11957.297
520 297.63066 -3170.1113 -2727.4082 208.72377 11957.624
530 303.16132 -3173.9362 -2723.0067 113.99059 11957.956
540 304.89291 -3173.2483 -2719.7433 102.63142 11958.29
550 303.22093 -3172.6677 -2721.6496 122.14881 11958.626
560 300.42033 -3169.9782 -2723.1257 175.43507 11958.966
570 299.36239 -3169.4369 -2724.158 192.14718 11959.309
580 300.21815 -3168.2689 -2721.7172 205.05816 11959.656
590 299.75056 -3165.9065 -2720.0503 249.16236 11960.007
600 295.23835 -3164.2535 -2725.1089 326.74257 11960.364
610 287.29061 -3158.1434 -2730.8204 452.40354 11960.728
620 280.22654 -3152.9055 -2736.0898 581.14668 11961.101
630 277.71625 -3151.933 -2738.8511 611.226 11961.486
640 281.13795 -3153.264 -2735.0926 553.08706 11961.884
650 288.87274 -3159.7514 -2730.0751 393.42554 11962.293
660 297.73677 -3165.6843 -2722.8234 229.78771 11962.711
670 304.50388 -3171.2447 -2718.3183 93.286758 11963.134
680 307.65987 -3174.6179 -2716.9972 19.724389 11963.559
690 307.92911 -3174.5894 -2716.5682 16.194056 11963.985
700 306.6337 -3173.7659 -2717.6715 40.430297 11964.411
710 304.53682 -3171.9259 -2718.9505 52.958373 11964.838
720 302.29698 -3170.6527 -2721.0089 83.955607 11965.266
730 300.13009 -3171.0079 -2724.5871 88.302239 11965.696
740 298.3463 -3169.5077 -2725.7402 100.80361 11966.128
750 297.3236 -3170.4768 -2728.2305 68.771047 11966.562
760 297.90152 -3169.2019 -2726.096 38.856611 11966.998
770 300.65882 -3170.2682 -2723.061 -42.189441 11967.435
780 305.61368 -3173.559 -2718.9818 -167.42288 11967.871
790 311.66613 -3177.5624 -2713.9826 -306.46687 11968.303
800 317.17072 -3180.9471 -2709.1797 -425.13124 11968.729
810 320.2172 -3182.4619 -2706.163 -488.93235 11969.147
820 319.66522 -3182.943 -2707.4652 -492.70047 11969.554
830 315.37907 -3180.4597 -2711.3572 -413.73799 11969.951
840 308.49068 -3175.0941 -2716.2376 -263.98773 11970.34
850 300.89389 -3171.2457 -2723.6888 -109.86029 11970.724
860 294.20788 -3166.0258 -2728.4138 60.370859 11971.105
870 289.39125 -3163.079 -2732.6315 192.32125 11971.488
880 285.96445 -3160.1199 -2734.7694 307.89003 11971.875
890 283.08373 -3158.3046 -2737.239 395.33049 11972.268
900 280.91369 -3156.2929 -2738.4551 462.78941 11972.67
910 280.34431 -3156.112 -2739.1211 476.49883 11973.081
920 282.15921 -3156.3002 -2736.6098 444.94863 11973.503
930 286.76859 -3159.7525 -2733.206 335.62184 11973.933
940 293.64404 -3163.8906 -2727.1173 188.16766 11974.371
950 300.97129 -3166.8775 -2719.2055 45.578889 11974.814
960 306.71487 -3169.2198 -2713.0046 -73.338556 11975.257
970 310.03593 -3172.0833 -2710.9283 -168.52195 11975.698
980 311.33778 -3174.417 -2711.3257 -230.49999 11976.137
990 311.69412 -3174.4233 -2710.8019 -251.38499 11976.57
1000 312.28359 -3175.6314 -2711.1332 -281.87051 11976.999
1010 313.32465 -3176.3486 -2710.3019 -306.88335 11977.421
1020 313.93594 -3175.7331 -2708.7771 -311.33857 11977.837
1030 313.28754 -3175.4783 -2709.4868 -306.55098 11978.247
1040 311.56044 -3174.5173 -2711.0947 -282.69988 11978.65
1050 309.94852 -3172.8471 -2711.8222 -249.96941 11979.047
1060 308.99417 -3173.712 -2714.1066 -250.60936 11979.44
1070 308.50636 -3173.5676 -2714.6878 -246.76956 11979.827
1080 308.59071 -3172.6129 -2713.6076 -242.62652 11980.209
1090 308.96362 -3172.3751 -2712.8152 -251.90845 11980.586
1100 308.91243 -3172.6486 -2713.1648 -267.35487 11980.957
1110 308.69773 -3171.2391 -2712.0746 -264.01575 11981.324
1120 308.36185 -3171.3274 -2712.6625 -274.48218 11981.685
1130 307.71006 -3171.9992 -2714.3038 -287.0411 11982.04
1140 307.40161 -3172.1061 -2714.8695 -295.27454 11982.389
1150 308.18477 -3170.4263 -2712.0248 -289.97031 11982.733
1160 309.05139 -3169.7227 -2710.0322 -292.46297 11983.07
1170 308.23586 -3169.1051 -2710.6277 -277.18026 11983.402
1180 305.18711 -3167.2923 -2713.3496 -225.53096 11983.728
1190 301.16975 -3163.7975 -2715.8304 -144.90346 11984.049
1200 298.68368 -3162.7461 -2718.4768 -103.25977 11984.367
1210 299.63256 -3161.8366 -2716.1558 -94.241758 11984.683
1220 304.05594 -3166.2151 -2713.9549 -174.93541 11984.997
1230 309.56035 -3169.064 -2708.6165 -248.50931 11985.308
1240 312.9787 -3170.4196 -2704.8875 -285.37842 11985.613
1250 312.357 -3169.0057 -2704.3984 -252.10832 11985.912
1260 307.87336 -3165.5946 -2707.6563 -158.39652 11986.207
1270 301.19032 -3161.4082 -2713.4104 -33.200594 11986.498
1280 294.28127 -3158.2635 -2720.5424 82.844386 11986.788
1290 289.27186 -3154.6501 -2724.3801 185.15521 11987.08
1300 286.8747 -3152.7377 -2726.0334 238.68878 11987.377
1310 286.54506 -3154.144 -2727.93 225.33046 11987.678
1320 288.62399 -3156.1946 -2726.8883 169.03667 11987.983
1330 294.62516 -3160.2783 -2722.0457 44.226965 11988.293
1340 304.45365 -3166.5957 -2713.744 -145.76125 11988.603
1350 314.76219 -3172.697 -2704.5121 -339.97415 11988.911
1360 321.22242 -3175.6244 -2697.8304 -464.04708 11989.211
1370 322.30869 -3177.0126 -2697.6029 -516.27822 11989.502
1380 319.26554 -3174.2595 -2699.3762 -476.02117 11989.783
1390 314.551 -3170.811 -2702.9402 -404.2344 11990.054
1400 311.0798 -3169.232 -2706.5244 -357.03427 11990.316
1410 310.8523 -3168.7199 -2706.3506 -347.08983 11990.57
1420 313.11527 -3168.7863 -2703.0511 -364.76841 11990.818
1430 314.9999 -3171.364 -2702.8255 -405.51567 11991.057
1440 314.25558 -3172.3547 -2704.9234 -400.6197 11991.289
1450 310.29191 -3170.8524 -2709.3167 -333.13938 11991.512
1460 304.19055 -3164.2737 -2711.8133 -185.66372 11991.728
1470 298.17649 -3159.4656 -2715.9507 -57.336615 11991.941
1480 294.56442 -3158.197 -2720.0547 5.5637051 11992.152
1490 295.26961 -3158.5623 -2719.3711 4.2464623 11992.364
1500 300.68941 -3162.1298 -2714.8771 -80.906136 11992.575
1510 308.50386 -3167.3903 -2708.5142 -209.3938 11992.785
1520 314.97972 -3171.1187 -2702.6102 -310.50563 11992.991
1530 317.96258 -3173.6154 -2700.6702 -367.42618 11993.19
1540 318.25274 -3173.8259 -2700.4491 -372.55746 11993.382
1550 317.89429 -3173.223 -2700.3793 -359.59086 11993.565
1560 317.88687 -3172.5867 -2699.754 -346.81212 11993.742
1570 317.42363 -3170.866 -2698.7224 -317.67179 11993.911
1580 315.69713 -3168.1868 -2698.6112 -267.52051 11994.073
1590 313.03844 -3168.7154 -2703.0945 -244.70465 11994.23
1600 310.17074 -3166.8756 -2705.5201 -194.42516 11994.382
1610 307.68602 -3163.9709 -2706.3113 -139.68452 11994.53
1620 306.60528 -3164.6131 -2708.561 -142.46066 11994.675
1630 307.84994 -3167.4284 -2709.5249 -194.45917 11994.817
1640 310.66948 -3170.0897 -2707.9924 -261.38058 11994.954
1650 312.97693 -3171.365 -2705.8355 -310.1848 11995.087
1660 313.5335 -3171.3624 -2705.0051 -329.20496 11995.213
1670 312.15193 -3169.4386 -2705.1363 -306.20307 11995.332
1680 308.43019 -3167.4341 -2708.6676 -256.51242 11995.444
1690 302.78535 -3162.2028 -2711.8326 -150.36054 11995.552
1700 297.84308 -3160.0633 -2717.0443 -80.770933 11995.656
1710 296.37823 -3160.5868 -2719.7466 -64.718118 11995.759
1720 297.69308 -3162.5278 -2719.7319 -83.295132 11995.86
1730 298.93935 -3161.0021 -2716.3525 -59.389603 11995.96
1740 298.50644 -3159.1674 -2715.1617 -13.895792 11996.059
1750 296.22685 -3156.6525 -2716.0375 55.867244 11996.157
1760 293.05844 -3154.479 -2718.5768 127.46817 11996.257
1770 290.96247 -3153.6561 -2720.8714 169.25459 11996.359
1780 292.26446 -3153.604 -2718.8827 166.7164 11996.465
1790 297.45633 -3157.139 -2714.6953 86.221353 11996.574
1800 303.96966 -3160.6101 -2708.4783 -10.09881 11996.685
1810 308.96828 -3163.6163 -2704.0494 -95.03319 11996.796
1820 312.54516 -3164.5104 -2699.6232 -148.6175 11996.906
1830 315.687 -3165.9053 -2696.3448 -204.17852 11997.012
1840 317.35299 -3168.1783 -2696.1398 -254.15534 11997.114
1850 315.90875 -3168.0275 -2698.1371 -243.3597 11997.21
1860 311.59575 -3165.4758 -2702.0007 -171.80583 11997.302
1870 306.83767 -3162.5071 -2706.1093 -81.878959 11997.39
1880 303.48486 -3158.8779 -2707.4672 11.171874 11997.477
1890 301.37475 -3157.901 -2709.6289 65.358194 11997.564
1900 300.21017 -3156.3574 -2709.8176 114.11907 11997.652
1910 300.45889 -3156.7848 -2709.875 120.91366 11997.743
1920 302.86235 -3157.1709 -2706.6862 99.277302 11997.836
1930 307.62414 -3161.59 -2704.0224 3.3490761 11997.932
1940 313.99583 -3164.8223 -2697.7772 -101.03002 11998.027
1950 319.9658 -3168.4475 -2692.5226 -210.07054 11998.121
1960 322.89282 -3169.4284 -2689.1498 -264.78372 11998.21
1970 322.2163 -3168.8436 -2689.5712 -269.59118 11998.294
1980 319.8637 -3167.6913 -2691.9183 -250.25521 11998.372
1990 318.06759 -3165.3272 -2692.2258 -217.06095 11998.446
2000 317.08261 -3164.1519 -2692.5156 -199.5142 11998.514
2010 316.25009 -3162.7904 -2692.3924 -146.80163 11998.579
2020 315.57597 -3165.0872 -2695.6919 -158.95695 11998.641
2030 314.45927 -3163.8009 -2696.0666 -118.99028 11998.7
2040 311.07061 -3161.7606 -2699.0667 -47.105532 11998.756
2050 305.90251 -3158.1216 -2703.1148 56.072016 11998.811
2060 301.53217 -3156.4729 -2707.9667 127.20205 11998.868
2070 299.45557 -3154.5358 -2709.1183 175.80958 11998.927
2080 299.34824 -3153.4066 -2708.1487 189.26874 11998.99
2090 300.6288 -3154.6627 -2707.5002 155.25251 11999.057
2100 302.90657 -3155.667 -2705.1164 107.29053 11999.127
2110 304.97712 -3157.8884 -2704.258 71.54209 11999.2
2120 305.83305 -3156.8912 -2701.9877 52.670392 11999.275
2130 306.06242 -3157.4222 -2702.1775 22.820948 11999.35
2140 306.95434 -3158.1534 -2701.5821 -12.186266 11999.426
2150 308.72433 -3158.9752 -2699.7712 -50.453856 11999.502
2160 310.68627 -3160.1939 -2698.0717 -86.429525 11999.577
2170 312.16275 -3161.2046 -2696.8862 -105.1038 11999.651
2180 312.44109 -3162.689 -2697.9566 -107.87228 11999.722
2190 310.69761 -3161.3061 -2699.1669 -52.071321 11999.791
2200 306.46595 -3157.3877 -2701.5429 61.25986 11999.86
2210 300.18089 -3151.2653 -2704.7689 186.20884 11999.929
2220 293.99072 -3147.1881 -2709.8992 309.68548 12000.003
2230 290.05429 -3140.9573 -2709.5236 428.84661 12000.083
2240 289.85243 -3140.8004 -2709.6669 441.09607 12000.173
2250 293.11883 -3143.9091 -2707.917 381.79677 12000.271
2260 298.42707 -3147.2097 -2703.3221 302.62801 12000.378
2270 303.41306 -3150.5523 -2699.2484 228.22578 12000.492
2280 305.92752 -3153.3983 -2698.3543 180.2003 12000.61
2290 306.23567 -3154.0931 -2698.5907 172.24563 12000.732
2300 306.02563 -3153.9125 -2698.7226 173.41714 12000.859
2310 305.79857 -3152.3908 -2697.5386 214.26713 12000.989
2320 304.87277 -3151.3 -2697.8249 225.46435 12001.124
2330 303.19482 -3148.6282 -2697.6489 258.21826 12001.263
2340 301.65054 -3146.7086 -2698.0262 280.8875 12001.408
2350 301.11543 -3145.4966 -2697.6102 291.05985 12001.56
2360 300.91531 -3145.3088 -2697.7201 295.5086 12001.717
2370 299.7022 -3146.3804 -2700.5961 304.08124 12001.881
2380 297.91734 -3144.6821 -2701.5526 357.26096 12002.052
2390 297.17286 -3143.5836 -2701.5615 401.08838 12002.23
2400 298.11835 -3142.8787 -2699.4503 430.18296 12002.417
2410 299.43812 -3145.4599 -2700.0684 421.43034 12002.613
2420 298.91341 -3144.6414 -2700.0304 464.58852 12002.818
2430 295.44367 -3141.4902 -2702.0401 554.35309 12003.032
2440 290.59917 -3138.4291 -2706.1848 645.3012 12003.259
2450 287.97651 -3136.9269 -2708.5837 686.53666 12003.5
2460 290.00809 -3139.0805 -2707.7155 633.33591 12003.754
2470 295.92199 -3142.3725 -2702.211 521.11201 12004.023
2480 303.01328 -3146.0938 -2695.3845 386.50135 12004.302
2490 308.56892 -3150.5736 -2691.6007 254.2697 12004.59
2500 311.5202 -3152.6956 -2689.3329 171.76077 12004.884
2510 312.37222 -3152.6868 -2688.0568 133.64064 12005.182
2520 312.07162 -3152.5246 -2688.3417 111.70945 12005.482
2530 310.88344 -3152.6657 -2690.2502 100.71044 12005.785
2540 308.67426 -3150.6434 -2691.5138 128.85939 12006.091
2550 305.94912 -3148.5215 -2693.4454 167.17257 12006.399
2560 303.89814 -3145.9555 -2693.93 209.49473 12006.711
2570 302.92372 -3145.1973 -2694.6212 225.10647 12007.028
2580 303.20144 -3147.2917 -2696.3025 198.38455 12007.349
2590 305.61042 -3149.5659 -2694.9936 151.55683 12007.675
2600 310.44753 -3152.4894 -2690.7222 77.658317 12008.004
2610 316.05303 -3154.2422 -2684.1373 12.954658 12008.335
2620 319.81873 -3156.5422 -2680.836 -35.184112 12008.667
2630 320.27518 -3156.6494 -2680.2643 -24.212068 12008.998
2640 318.20956 -3154.0678 -2680.7552 44.726257 12009.329
2650 315.10024 -3153.128 -2684.4403 109.85862 12009.661
2660 311.98415 -3150.8741 -2686.8213 194.49216 12009.995
2670 308.35496 -3148.789 -2690.1344 284.93732 12010.334
2680 303.14062 -3143.0993 -2692.2006 429.49234 12010.679
2690 296.69495 -3137.4713 -2696.16 580.36332 12011.033
2700 291.47691 -3132.8384 -2699.2886 701.87058 12011.4
2710 289.98607 -3133.5833 -2702.251 721.1395 12011.782
2720 292.12066 -3135.6855 -2701.1782 682.14406 12012.178
2730 295.58479 -3138.0615 -2698.4015 617.22898 12012.59
2740 298.49946 -3140.0468 -2696.0515 552.90418 12013.014
2750 300.15882 -3141.1489 -2694.6854 504.02029 12013.451
2760 300.51674 -3140.9441 -2693.9483 480.01995 12013.899
2770 299.68227 -3140.0369 -2694.2823 476.74984 12014.356
2780 298.36439 -3138.3926 -2694.5982 491.39596 12014.825
2790 297.9511 -3136.9915 -2693.8119 502.60682 12015.304
2800 299.29047 -3138.2672 -2693.0953 475.728 12015.793
2810 301.76796 -3139.4228 -2690.5658 446.94995 12016.293
2820 303.59013 -3140.5086 -2688.9413 425.55444 12016.803
2830 304.31151 -3140.4248 -2687.7845 423.55419 12017.322
2840 304.97805 -3139.5151 -2685.8834 424.40161 12017.851
2850 306.52955 -3138.7024 -2682.763 409.08735 12018.388
2860 308.45021 -3139.8585 -2681.0622 363.78291 12018.935
2870 309.43098 -3140.7509 -2680.4957 326.35125 12019.489
2880 308.988 -3139.9854 -2680.3892 318.00763 12020.051
2890 307.94257 -3140.2512 -2682.2099 304.62164 12020.619
2900 307.40092 -3139.8199 -2682.5843 296.94019 12021.194
2910 307.89328 -3141.6901 -2683.7221 256.07975 12021.776
2920 309.71068 -3142.1247 -2681.4536 218.48728 12022.363
2930 313.08145 -3144.8323 -2679.1473 138.23357 12022.955
2940 318.03788 -3149.5738 -2676.5165 17.111024 12023.551
2950 324.02188 -3154.5129 -2672.5549 -117.55916 12024.146
2960 329.73387 -3159.7882 -2669.3341 -249.35954 12024.74
2970 333.15033 -3164.3737 -2668.8378 -343.89336 12025.328
2980 332.80018 -3162.7664 -2667.7513 -325.95995 12025.91
2990 328.9652 -3159.378 -2670.0672 -246.88439 12026.486
3000 323.42508 -3154.5379 -2673.4676 -130.5729 12027.056
3010 318.41323 -3151.3949 -2677.7794 -35.159813 12027.624
3020 314.86111 -3149.1519 -2680.8199 36.723017 12028.191
3030 312.67242 -3148.2638 -2683.1872 78.532197 12028.76
3040 311.7758 -3146.5756 -2682.8327 115.39722 12029.33
3050 311.57689 -3147.2208 -2683.7738 121.07125 12029.902
3060 310.7875 -3145.3526 -2683.0798 162.68938 12030.478
3070 308.44813 -3143.4494 -2684.6562 222.0605 12031.057
3080 304.87635 -3140.0274 -2686.5469 309.95227 12031.642
3090 301.83066 -3137.1154 -2688.1652 385.94281 12032.233
3100 300.91325 -3135.0361 -2687.4504 429.87105 12032.833
3110 301.95322 -3135.9092 -2686.7767 417.54364 12033.441
3120 303.44368 -3135.5198 -2684.1704 404.82498 12034.059
3130 304.68043 -3135.876 -2682.6869 374.38934 12034.686
3140 306.52601 -3135.343 -2679.4088 338.29738 12035.322
3150 309.92883 -3137.613 -2676.6173 253.2452 12035.964
3160 313.8875 -3140.9293 -2674.0454 154.8534 12036.612
3170 315.91331 -3141.8408 -2671.9437 105.33389 12037.264
3180 314.74654 -3140.9089 -2672.7473 111.08848 12037.919
3190 310.99219 -3137.5077 -2674.9304 170.45968 12038.576
3200 307.0184 -3135.6657 -2678.9991 211.77992 12039.238
3210 305.69644 -3135.1626 -2680.4623 206.63748 12039.904
3220 308.04358 -3137.7601 -2679.5686 124.40056 12040.574
3230 312.63833 -3139.6937 -2674.6679 19.678059 12041.248
3240 317.66185 -3142.4551 -2669.9572 -103.61196 12041.922
3250 322.54665 -3144.4645 -2664.7008 -216.34191 12042.595
3260 327.44787 -3146.6174 -2659.5635 -323.80232 12043.263
3270 331.64172 -3148.6728 -2655.3809 -410.44609 12043.924
3280 333.35391 -3150.0411 -2654.2024 -452.10738 12044.577
3290 331.73777 -3149.7376 -2656.3028 -431.42528 12045.221
3300 327.47092 -3145.7415 -2658.6533 -337.37932 12045.856
3310 322.63655 -3142.9166 -2663.0192 -281.2467 12046.484
3320 319.95816 -3141.1675 -2665.254 -228.98009 12047.106
3330 320.65909 -3141.0523 -2664.0962 -227.77576 12047.724
3340 323.3194 -3143.1835 -2662.2704 -269.09579 12048.336
3350 324.47801 -3144.9605 -2662.324 -289.75441 12048.944
3360 321.78183 -3143.2159 -2664.5898 -230.8629 12049.545
3370 315.65372 -3141.6506 -2672.1396 -136.64031 12050.142
3380 308.56753 -3136.5491 -2677.5783 7.3866562 12050.737
3390 303.56937 -3132.7321 -2681.1957 116.00309 12051.332
3400 302.75633 -3131.0898 -2680.7627 153.68697 12051.929
3410 306.26778 -3133.9506 -2678.4005 91.985149 12052.53
3420 311.65871 -3138.4799 -2674.9112 -15.751352 12053.133
3430 316.323 -3142.1209 -2671.6144 -114.62141 12053.735
3440 319.32023 -3143.4531 -2668.4885 -176.71384 12054.336
3450 321.02054 -3142.858 -2665.3643 -204.52954 12054.934
3460 320.86352 -3143.9021 -2666.642 -230.59152 12055.527
3470 317.81521 -3141.6786 -2668.9526 -191.56561 12056.116
3480 312.51929 -3136.752 -2671.9032 -101.58602 12056.7
3490 308.10327 -3136.5054 -2678.2251 -72.843615 12057.283
3500 308.13753 -3136.2438 -2677.9126 -85.824876 12057.865
3510 313.03499 -3138.2221 -2672.6063 -167.9092 12058.445
3520 319.91997 -3141.2784 -2665.4216 -280.02335 12059.021
3530 326.03387 -3144.6082 -2659.6575 -385.09651 12059.592
3540 330.29026 -3146.9456 -2655.6638 -456.3187 12060.155
3550 332.85586 -3149.8538 -2654.7559 -511.36493 12060.709
3560 333.96221 -3149.148 -2652.4046 -508.03895 12061.252
3570 333.35384 -3149.1315 -2653.2929 -493.98924 12061.785
3580 330.80294 -3147.8026 -2655.7582 -448.15261 12062.307
3590 326.83869 -3146.3133 -2660.1655 -387.68316 12062.82
3600 322.14254 -3143.9345 -2664.7719 -310.69429 12063.325
3610 316.72297 -3140.6836 -2669.5822 -184.83151 12063.824
3620 310.34903 -3136.631 -2675.0104 -72.369719 12064.319
3630 304.83831 -3134.1032 -2680.6793 13.85196 12064.813
3640 301.98436 -3131.7312 -2682.5524 69.834798 12065.307
3650 302.22672 -3132.056 -2682.5167 64.136722 12065.803
3660 304.05975 -3133.2327 -2680.9669 30.862574 12066.301
3670 305.07446 -3134.7562 -2680.9811 -4.1573591 12066.799
3680 304.10519 -3135.2839 -2682.9505 -12.970356 12067.298
3690 301.74735 -3132.7357 -2683.9094 21.487218 12067.796
3700 300.13392 -3133.2054 -2686.7789 13.027078 12068.295
3710 300.83899 -3132.8056 -2685.3304 -8.5560538 12068.795
3720 303.59548 -3135.2872 -2683.712 -83.234058 12069.295
3730 307.86069 -3136.7221 -2678.8026 -161.2591 12069.793
3740 312.75046 -3139.3856 -2674.193 -255.31925 12070.288
3750 316.6196 -3143.0457 -2672.098 -343.81735 12070.778
3760 317.71822 -3143.3196 -2670.7378 -361.62059 12071.261
3770 315.37251 -3140.5207 -2671.428 -306.58418 12071.736
3780 310.42752 -3136.6945 -2674.9571 -209.75681 12072.205
3790 303.94323 -3131.9245 -2679.832 -88.152374 12072.671
3800 297.30587 -3128.754 -2686.534 12.347233 12073.134
3810 292.83413 -3125.421 -2689.8524 116.8258 12073.598
3820 292.96429 -3125.0237 -2689.2615 112.77709 12074.065
3830 298.07568 -3127.7152 -2684.3502 24.138758 12074.534
3840 304.76552 -3132.3413 -2679.0257 -102.7168 12075.004
3850 309.27168 -3136.4335 -2676.4153 -203.85808 12075.472
3860 311.21883 -3137.7471 -2674.8327 -248.7521 12075.937
3870 312.56959 -3137.1868 -2672.2632 -264.6333 12076.396
3880 314.22789 -3140.2735 -2672.8833 -319.85059 12076.849
3890 315.65672 -3142.2757 -2672.7602 -357.68243 12077.296
3900 316.0227 -3143.6377 -2673.5778 -376.03409 12077.736
3910 314.93972 -3142.6361 -2674.1871 -352.49827 12078.168
3920 312.78247 -3139.8033 -2674.5631 -295.2431 12078.593
3930 309.97496 -3137.6847 -2676.6204 -234.86602 12079.011
3940 306.31796 -3134.8187 -2679.1939 -157.83829 12079.425
3950 302.31368 -3131.4401 -2681.7714 -73.754819 12079.836
3960 298.70143 -3128.8692 -2684.5735 -6.4257907 12080.245
3970 296.07365 -3127.9356 -2687.5485 28.648703 12080.655
3980 295.10896 -3128.4717 -2689.5195 25.172987 12081.065
3990 296.40855 -3129.859 -2688.9737 -15.712752 12081.476
4000 299.64713 -3132.2597 -2686.5573 -90.148021 12081.886
4010 303.56281 -3134.6271 -2683.1004 -173.40151 12082.296
4020 306.79667 -3136.3686 -2680.0318 -243.59027 12082.701
4030 308.40401 -3136.0079 -2677.2803 -271.82152 12083.102
4040 308.23571 -3133.043 -2674.5657 -249.02094 12083.497
4050 306.91343 -3131.7428 -2675.2323 -225.39083 12083.888
4060 305.0299 -3130.5623 -2676.8534 -189.76022 12084.273
4070 303.25777 -3129.7265 -2678.6535 -151.10942 12084.655
4080 302.13734 -3128.5771 -2679.1707 -106.77371 12085.034
4090 301.19051 -3128.0795 -2680.0814 -66.544944 12085.411
4100 299.87121 -3127.3102 -2681.2745 -19.21176 12085.786
4110 298.85269 -3129.1484 -2684.6277 -35.074226 12086.161
4120 299.26887 -3130.2865 -2685.1468 -34.052925 12086.536
4130 300.49574 -3130.8035 -2683.8389 -43.37618 12086.91
4140 301.50321 -3131.5621 -2683.0989 -63.349833 12087.283
4150 301.83429 -3131.06 -2682.1044 -73.300751 12087.655
4160 302.58903 -3131.6424 -2681.5641 -107.88395 12088.026
4170 305.3615 -3132.9824 -2678.7803 -175.22863 12088.394
4180 310.19762 -3135.2459 -2673.8505 -273.77813 12088.759
4190 315.47001 -3138.0795 -2668.8418 -381.55193 12089.118
4200 319.63672 -3141.8506 -2666.4152 -485.44338 12089.47
4210 322.07146 -3144.5426 -2665.4857 -552.86884 12089.811
4220 322.27589 -3147.3837 -2668.0228 -592.43018 12090.141
4230 320.09018 -3146.1835 -2670.0736 -560.25784 12090.458
4240 316.35088 -3143.1057 -2672.5578 -491.42907 12090.763
4250 312.64908 -3141.2423 -2676.2005 -437.60037 12091.059
4260 310.22612 -3140.8048 -2679.3669 -413.25419 12091.345
4270 308.93429 -3138.7958 -2679.2794 -384.56868 12091.622
4280 307.99457 -3137.165 -2679.0464 -362.20806 12091.891
4290 306.5131 -3135.6806 -2679.7656 -333.09945 12092.153
4300 303.98017 -3132.2766 -2680.1292 -267.20645 12092.408
4310 299.85627 -3132.2646 -2686.2511 -185.41241 12092.658
4320 293.89486 -3128.5491 -2691.4028 -67.150697 12092.903
4330 287.36564 -3123.5002 -2696.0656 72.562604 12093.148
4340 281.94103 -3118.0672 -2698.7013 200.19066 12093.394
4350 279.12288 -3115.0478 -2699.8736 265.71204 12093.645
4360 279.91475 -3115.5623 -2699.2103 247.26544 12093.901
4370 284.07329 -3117.9883 -2695.4508 166.37983 12094.162
4380 290.091 -3122.4191 -2690.9308 37.637998 12094.427
4390 296.48186 -3126.8594 -2685.8651 -98.276949 12094.694
4400 302.27271 -3130.9992 -2681.3915 -221.50713 12094.958
4410 307.08283 -3136.156 -2679.3935 -363.92073 12095.217
4420 309.58516 -3137.7213 -2677.2369 -407.23266 12095.469
4430 308.63689 -3136.5985 -2677.5245 -379.8398 12095.712
4440 305.0146 -3135.3138 -2681.6277 -320.35226 12095.948
4450 301.02386 -3131.932 -2684.1818 -232.10677 12096.176
4460 298.28516 -3131.2669 -2687.5903 -186.61043 12096.4
4470 296.95844 -3131.8586 -2690.1554 -172.78163 12096.62
4480 296.41038 -3132.2046 -2691.3166 -171.14183 12096.836
4490 296.72664 -3132.2345 -2690.8761 -180.78238 12097.049
4500 298.46824 -3133.9188 -2689.9699 -225.98782 12097.258
4510 301.27763 -3136.0917 -2687.9641 -288.49594 12097.462
4520 303.8495 -3137.702 -2685.7489 -344.25621 12097.661
4530 305.35188 -3136.8551 -2682.6673 -363.01026 12097.852
4540 305.66834 -3136.759 -2682.1005 -379.87254 12098.035
4550 305.66907 -3138.2822 -2683.6226 -415.05984 12098.211
4560 307.0143 -3139.8295 -2683.169 -464.79736 12098.378
4570 310.36924 -3142.3902 -2680.7395 -543.90903 12098.535
4580 314.5999 -3145.834 -2677.8905 -639.77322 12098.68
4590 317.96497 -3149.1998 -2676.251 -723.88612 12098.812
4600 319.36618 -3149.8765 -2674.8435 -756.27811 12098.929
4610 318.75106 -3148.0922 -2673.9742 -738.13317 12099.029
4620 316.30568 -3146.604 -2676.1233 -701.87895 12099.114
4630 312.20759 -3146.4577 -2682.0726 -663.06808 12099.184
4640 307.17047 -3143.6801 -2686.7873 -589.7951 12099.239
4650 302.96866 -3140.7005 -2690.0576 -526.86559 12099.283
4660 301.61901 -3141.0363 -2692.4009 -530.58166 12099.314
4670 303.80709 -3142.0108 -2690.1208 -574.18511 12099.335
4680 307.56577 -3145.6704 -2688.1896 -658.14064 12099.342
4690 309.87188 -3148.4442 -2687.5332 -714.05667 12099.336
4700 309.61756 -3147.3196 -2686.7869 -696.8596 12099.315
4710 307.75995 -3144.4155 -2686.6459 -638.1485 12099.279
4720 305.37398 -3143.639 -2689.4183 -593.1022 12099.229
4730 302.92073 -3141.3687 -2690.7971 -531.82555 12099.167
4740 301.23679 -3139.1131 -2691.0462 -483.0381 12099.093
4750 301.23998 -3138.0401 -2689.9685 -468.72592 12099.009
4760 302.85568 -3136.9153 -2686.4404 -474.45849 12098.915
4770 305.18186 -3138.6548 -2684.7199 -522.6055 12098.811
4780 307.00146 -3140.3072 -2683.6658 -568.98579 12098.695
4790 307.8172 -3141.2603 -2683.4056 -599.79597 12098.568
4800 307.94704 -3142.395 -2684.3471 -624.17815 12098.427
4810 307.16923 -3142.2184 -2685.3275 -593.18514 12098.274
4820 305.05762 -3139.6269 -2685.8768 -547.01268 12098.107
4830 302.07485 -3135.8789 -2686.5654 -477.41834 12097.929
4840 299.68541 -3134.9292 -2689.1698 -440.80353 12097.741
4850 298.34987 -3134.3501 -2690.5773 -417.98447 12097.543
4860 296.99298 -3132.8363 -2691.0818 -385.01494 12097.336
4870 293.92598 -3130.2116 -2693.0189 -323.71387 12097.121
4880 288.65311 -3128.2193 -2698.8696 -249.45926 12096.899
4890 282.97027 -3125.007 -2704.1102 -161.93597 12096.671
4900 280.21575 -3122.8614 -2706.0617 -118.56654 12096.44
4910 282.56422 -3125.0097 -2704.7168 -201.6575 12096.206
4920 288.92237 -3130.1005 -2700.3504 -336.8392 12095.967
4930 296.84644 -3133.9252 -2692.3886 -479.5295 12095.721
4940 304.37797 -3138.1365 -2685.3974 -623.46829 12095.465
4950 310.19395 -3143.7828 -2682.3928 -761.19482 12095.195
4960 313.84791 -3146.9973 -2680.1723 -842.62578 12094.909
4970 315.40211 -3148.7432 -2679.6065 -876.34092 12094.605
4980 314.70747 -3146.5488 -2678.4453 -833.90687 12094.282
4990 311.68379 -3145.3534 -2681.7473 -772.68638 12093.941
5000 307.19734 -3141.9533 -2685.0206 -672.07843 12093.584
Loop time of 1.61533 on 1 procs for 5000 steps with 500 atoms
Performance: 267.437 ns/day, 0.090 hours/ns, 3095.335 timesteps/s
98.8% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.3187 | 1.3187 | 1.3187 | 0.0 | 81.64
Bond | 0.0004375 | 0.0004375 | 0.0004375 | 0.0 | 0.03
Neigh | 0.024624 | 0.024624 | 0.024624 | 0.0 | 1.52
Comm | 0.046152 | 0.046152 | 0.046152 | 0.0 | 2.86
Output | 0.0049086 | 0.0049086 | 0.0049086 | 0.0 | 0.30
Modify | 0.18126 | 0.18126 | 0.18126 | 0.0 | 11.22
Other | | 0.03922 | | | 2.43
Nlocal: 500 ave 500 max 500 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1592 ave 1592 max 1592 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 14649 ave 14649 max 14649 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14649
Ave neighs/atom = 29.298
Ave special neighs/atom = 0
Neighbor list builds = 25
Dangerous builds = 0
#write_data lj-out.data
Total wall time: 0:00:01

View File

@ -1,583 +0,0 @@
LAMMPS (9 Nov 2016)
Processor partition = 3
# LJ particles
variable lambda world 400 405 410 415
variable rep world 0 1 2 3
#variable walker world 1 0 2 3
variable T0 equal 300.0
variable press equal 0.0
units real
atom_style full
pair_style lj/cut 5.0
read_data "lj.data"
orthogonal box = (1.06874 1.06874 1.06874) to (23.9313 23.9313 23.9313)
1 by 1 by 1 MPI processor grid
reading atoms ...
500 atoms
reading velocities ...
500 velocities
0 = max # of 1-2 neighbors
0 = max # of 1-3 neighbors
0 = max # of 1-4 neighbors
1 = max # of special neighbors
thermo 10
thermo_style custom step temp pe etotal press vol
timestep 1.0
fix fxnpt all npt temp ${T0} ${T0} 1000.0 iso ${press} ${press} 10000.0
fix fxnpt all npt temp 300 ${T0} 1000.0 iso ${press} ${press} 10000.0
fix fxnpt all npt temp 300 300 1000.0 iso ${press} ${press} 10000.0
fix fxnpt all npt temp 300 300 1000.0 iso 0 ${press} 10000.0
fix fxnpt all npt temp 300 300 1000.0 iso 0 0 10000.0
fix fxgREM all grem ${lambda} -.01 -30000 fxnpt
fix fxgREM all grem 415 -.01 -30000 fxnpt
thermo_modify press fxgREM_press
grem 5000 100 ${lambda} fxgREM fxnpt 10294 98392 #${walker}
grem 5000 100 415 fxgREM fxnpt 10294 98392
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 10 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 7
ghost atom cutoff = 7
binsize = 3.5 -> bins = 7 7 7
Memory usage per processor = 5.37943 Mbytes
Step Temp PotEng TotEng Press Volume
0 305.69499 -3177.6423 -2722.9442 -4.774882 11950.115
10 310.42538 -3181.3514 -2719.6172 -91.942314 11950.114
20 309.80294 -3183.0051 -2722.1967 -87.04339 11950.112
30 303.61133 -3178.1052 -2726.5063 54.866225 11950.109
40 294.17815 -3172.6906 -2735.1229 235.75267 11950.106
50 285.84897 -3166.1057 -2740.927 412.01178 11950.109
60 282.29209 -3162.2075 -2742.3194 501.28668 11950.12
70 283.66502 -3163.2049 -2741.2746 476.2816 11950.142
80 287.15997 -3165.3518 -2738.2231 408.48095 11950.173
90 289.43663 -3167.7912 -2737.2761 344.35726 11950.214
100 288.97379 -3167.1837 -2737.3571 339.74092 11950.261
110 286.6153 -3164.936 -2738.6175 375.55131 11950.316
120 284.02526 -3164.0952 -2741.6292 403.58998 11950.379
130 282.64822 -3164.529 -2744.1112 411.38816 11950.45
140 283.13645 -3165.5285 -2744.3845 399.29969 11950.53
150 285.08253 -3166.4008 -2742.3621 380.32662 11950.618
160 286.57814 -3167.7333 -2741.47 366.26809 11950.715
170 285.45411 -3165.1856 -2740.5943 423.26034 11950.819
180 281.40382 -3160.5077 -2741.9408 532.49105 11950.932
190 276.42232 -3156.3351 -2745.1779 644.16581 11951.057
200 273.03664 -3153.7179 -2747.5966 719.41296 11951.195
210 272.82732 -3153.929 -2748.119 727.12173 11951.348
220 275.86662 -3156.7606 -2746.4299 668.29432 11951.516
230 281.41831 -3161.6797 -2743.0913 558.50177 11951.698
240 288.10803 -3164.7922 -2736.2533 458.97682 11951.892
250 293.68293 -3170.2498 -2733.4187 349.89575 11952.096
260 296.10021 -3171.8291 -2731.4025 322.26555 11952.307
270 294.84145 -3170.9952 -2732.4408 365.56512 11952.525
280 290.82723 -3166.9759 -2734.3925 476.75569 11952.752
290 285.83338 -3163.0334 -2737.8779 597.17144 11952.988
300 281.66584 -3160.0847 -2741.1281 691.48976 11953.237
310 279.7237 -3158.0982 -2742.0303 741.21174 11953.5
320 280.49154 -3158.7354 -2741.5255 719.6988 11953.779
330 283.85418 -3162.4389 -2740.2273 623.26994 11954.072
340 289.32052 -3166.8815 -2736.5392 485.39569 11954.379
350 295.86789 -3171.7118 -2731.6307 323.20608 11954.696
360 302.36739 -3175.7156 -2725.967 168.45301 11955.02
370 307.4778 -3177.6596 -2720.3096 56.160258 11955.348
380 309.53671 -3178.6956 -2718.2832 -4.4423191 11955.677
390 307.27275 -3176.3265 -2719.2816 29.596646 11956.006
400 300.50786 -3168.9716 -2721.9889 175.62798 11956.336
410 290.88882 -3162.5367 -2729.8616 314.26996 11956.669
420 282.53303 -3156.7386 -2736.4922 461.72318 11957.009
430 278.95838 -3156.5366 -2741.6071 497.0298 11957.358
440 281.2665 -3159.0153 -2740.6527 440.17102 11957.718
450 287.21209 -3164.1801 -2736.9739 314.68224 11958.087
460 292.95444 -3167.75 -2732.0025 209.38402 11958.463
470 295.53326 -3168.5697 -2728.9864 169.55948 11958.843
480 294.34992 -3167.5316 -2729.7085 192.21165 11959.227
490 291.67669 -3164.9197 -2731.0727 252.80185 11959.615
500 290.74894 -3164.0589 -2731.5919 280.74907 11960.008
510 292.94578 -3166.7598 -2731.0252 268.31859 11960.407
520 296.98311 -3168.4313 -2726.6914 221.95814 11960.812
530 300.36212 -3170.8031 -2724.0372 173.36701 11961.221
540 300.89593 -3171.763 -2724.2031 164.42998 11961.635
550 298.62616 -3168.9731 -2724.7893 221.70379 11962.052
560 295.08944 -3165.2614 -2726.3382 298.12567 11962.473
570 292.93277 -3164.0002 -2728.285 332.29624 11962.902
580 293.68713 -3163.2824 -2726.445 335.47817 11963.337
590 295.29221 -3163.1791 -2723.9543 329.25936 11963.779
600 294.02903 -3161.6453 -2724.2994 371.04581 11964.229
610 288.41485 -3157.2121 -2728.2169 488.64352 11964.687
620 280.44446 -3151.8587 -2734.7188 637.30457 11965.155
630 273.99375 -3147.612 -2740.067 753.7486 11965.636
640 272.029 -3147.015 -2742.3924 778.10952 11966.133
650 275.09404 -3149.1493 -2739.9677 716.75798 11966.647
660 281.31569 -3152.5188 -2734.083 606.41372 11967.175
670 288.06637 -3158.5032 -2730.0263 461.43436 11967.717
680 293.07365 -3161.1086 -2725.1838 373.31623 11968.269
690 295.47652 -3165.2389 -2725.74 297.64802 11968.828
700 296.0127 -3166.2983 -2726.0018 278.45383 11969.394
710 295.53892 -3164.388 -2724.7962 305.13688 11969.967
720 294.03058 -3163.3056 -2725.9574 332.61905 11970.545
730 291.49555 -3162.132 -2728.5544 369.06489 11971.131
740 288.21882 -3161.735 -2733.0314 398.61652 11971.725
750 284.82364 -3159.278 -2735.6245 443.86575 11972.327
760 282.1843 -3157.2394 -2737.5117 466.55151 11972.939
770 281.38281 -3155.0848 -2736.5492 462.76553 11973.56
780 283.03841 -3156.0272 -2735.029 392.99173 11974.192
790 287.02809 -3159.1885 -2732.256 271.30618 11974.831
800 292.60651 -3162.8432 -2727.6132 129.80077 11975.476
810 298.39269 -3165.9847 -2722.1482 -2.1318029 11976.125
820 302.76542 -3170.0696 -2719.729 -119.96844 11976.773
830 304.2979 -3170.7714 -2718.1513 -158.66099 11977.419
840 302.5518 -3168.9537 -2718.9308 -119.89379 11978.062
850 297.90743 -3166.2139 -2723.0992 -25.642435 11978.702
860 291.56329 -3161.8467 -2728.1684 118.65773 11979.343
870 285.06267 -3156.188 -2732.1789 290.77807 11979.986
880 279.82877 -3154.3442 -2738.1201 415.37387 11980.635
890 276.32348 -3152.0495 -2741.0393 528.08975 11981.293
900 273.90048 -3151.1968 -2743.7906 608.76789 11981.962
910 271.70491 -3146.8242 -2742.6837 714.62487 11982.645
920 270.006 -3145.0477 -2743.4342 772.45683 11983.342
930 269.49013 -3145.3089 -2744.4628 778.75812 11984.056
940 270.63544 -3144.4068 -2741.8571 763.03219 11984.786
950 273.90228 -3146.8791 -2739.4702 674.19915 11985.532
960 279.11167 -3151.1496 -2735.9921 535.5555 11986.293
970 285.31318 -3152.8434 -2728.4617 411.96319 11987.065
980 290.71202 -3156.9705 -2724.5584 270.10884 11987.845
990 294.1994 -3159.3119 -2721.7126 170.74839 11988.632
1000 296.30827 -3159.9886 -2719.2525 111.31704 11989.423
1010 298.11182 -3162.4125 -2718.9938 43.393028 11990.216
1020 300.13855 -3164.2064 -2717.773 -12.748409 11991.01
1030 301.77549 -3165.4535 -2716.5853 -52.918946 11991.804
1040 301.81739 -3165.6705 -2716.7401 -62.734441 11992.597
1050 299.96075 -3164.1131 -2717.9442 -32.522236 11993.389
1060 297.33517 -3161.9967 -2719.7331 13.026899 11994.181
1070 295.37901 -3159.4479 -2720.094 57.477095 11994.973
1080 294.57279 -3158.7897 -2720.635 69.024694 11995.766
1090 294.53126 -3158.161 -2720.0681 70.729253 11996.561
1100 294.78167 -3158.6622 -2720.1968 53.113183 11997.358
1110 295.44514 -3159.5942 -2720.1419 23.659159 11998.157
1120 296.34769 -3158.989 -2718.1943 7.0749888 11998.956
1130 296.96741 -3159.8834 -2718.1669 -24.307782 11999.755
1140 297.14866 -3159.5393 -2717.5531 -35.952313 12000.554
1150 296.65307 -3157.6517 -2716.4027 -20.640781 12001.353
1160 295.43466 -3158.1316 -2718.6949 -21.813343 12002.151
1170 294.22226 -3155.8539 -2718.2205 8.7843352 12002.949
1180 293.95599 -3154.263 -2717.0258 24.066202 12003.748
1190 294.40427 -3153.1938 -2715.2898 28.028004 12004.547
1200 294.25803 -3152.2185 -2714.532 38.297821 12005.347
1210 292.38984 -3151.57 -2716.6623 64.721473 12006.148
1220 288.47062 -3148.773 -2719.6948 137.24289 12006.95
1230 283.54702 -3144.4636 -2722.7088 237.31274 12007.756
1240 280.07136 -3142.259 -2725.6741 297.40368 12008.567
1250 280.92022 -3142.93 -2725.0825 280.5534 12009.384
1260 286.77246 -3147.102 -2720.5497 174.66887 12010.207
1270 295.0101 -3152.7359 -2713.9308 28.332318 12011.035
1280 301.81626 -3156.142 -2707.2132 -76.90314 12011.863
1290 304.42777 -3158.7324 -2705.9192 -127.23047 12012.689
1300 302.4701 -3155.765 -2705.8636 -62.914832 12013.514
1310 296.78287 -3149.9635 -2708.5214 76.864349 12014.338
1320 289.04581 -3144.9167 -2714.9829 231.79858 12015.163
1330 281.97584 -3141.2835 -2721.8658 363.34052 12015.994
1340 277.91467 -3138.1316 -2724.7545 455.34458 12016.832
1350 277.05155 -3136.7757 -2724.6825 486.45017 12017.68
1360 278.57334 -3137.8083 -2723.4515 455.80734 12018.539
1370 281.91855 -3141.4719 -2722.1394 366.21195 12019.407
1380 286.94454 -3144.116 -2717.3078 261.81972 12020.284
1390 292.90045 -3149.9319 -2714.2646 106.76152 12021.166
1400 298.0863 -3153.7339 -2710.3531 -23.274603 12022.051
1410 301.25715 -3155.6774 -2707.5802 -113.98826 12022.935
1420 302.60595 -3155.9003 -2705.7969 -164.18791 12023.818
1430 302.97635 -3153.9692 -2703.3148 -172.76922 12024.697
1440 302.46895 -3154.5582 -2704.6586 -191.89553 12025.573
1450 301.27018 -3153.8588 -2705.7423 -183.60736 12026.445
1460 300.40382 -3153.2741 -2706.4462 -174.48003 12027.314
1470 300.50322 -3152.6057 -2705.6299 -170.18499 12028.179
1480 300.88234 -3152.6674 -2705.1277 -174.50707 12029.04
1490 300.33513 -3150.4814 -2703.7557 -143.3439 12029.898
1500 298.65844 -3148.9271 -2704.6953 -105.14814 12030.753
1510 296.86771 -3148.7377 -2707.1695 -76.730644 12031.607
1520 295.81326 -3148.8204 -2708.8206 -54.771618 12032.458
1530 295.26955 -3148.3591 -2709.168 -30.014617 12033.309
1540 294.79905 -3146.5074 -2708.0161 8.0533536 12034.159
1550 294.70934 -3145.8563 -2707.4985 27.691466 12035.01
1560 295.01506 -3145.3636 -2706.5511 39.22412 12035.861
1570 295.24618 -3146.3972 -2707.2409 30.522284 12036.714
1580 295.42602 -3147.1291 -2707.7053 21.680613 12037.567
1590 295.94615 -3147.8477 -2707.6502 6.3093885 12038.421
1600 297.11662 -3146.0177 -2704.0792 9.1978336 12039.275
1610 299.07301 -3147.653 -2702.8045 -36.744778 12040.13
1620 301.57339 -3150.8679 -2702.3004 -106.81483 12040.983
1630 303.83003 -3151.0122 -2699.088 -141.41442 12041.835
1640 305.19294 -3151.2987 -2697.3473 -168.37488 12042.685
1650 305.13221 -3150.6888 -2696.8277 -171.83059 12043.531
1660 303.2366 -3149.0107 -2697.9692 -146.28445 12044.373
1670 300.01071 -3147.8188 -2701.5756 -113.46518 12045.213
1680 297.24095 -3147.8818 -2705.7585 -101.88507 12046.05
1690 297.09697 -3147.2275 -2705.3183 -110.04612 12046.886
1700 299.4738 -3148.539 -2703.0944 -165.87494 12047.719
1710 301.66808 -3151.1649 -2702.4565 -235.11033 12048.549
1720 301.00131 -3151.1879 -2703.4713 -248.34988 12049.375
1730 297.40769 -3148.4279 -2706.0565 -201.3861 12050.195
1740 292.92738 -3145.8189 -2710.1117 -145.07176 12051.012
1750 289.74862 -3143.2409 -2712.2617 -97.712916 12051.825
1760 288.71864 -3142.0976 -2712.6505 -83.568135 12052.637
1770 289.50124 -3141.4803 -2710.8692 -90.213948 12053.447
1780 291.10444 -3143.0371 -2710.0413 -125.44031 12054.255
1790 292.21149 -3143.4467 -2708.8043 -138.65616 12055.061
1800 291.94379 -3141.5447 -2707.3005 -107.8037 12055.864
1810 290.40299 -3139.6373 -2707.6848 -59.275993 12056.664
1820 288.11651 -3138.2464 -2709.6949 -7.0578052 12057.464
1830 285.95431 -3136.4191 -2711.0837 47.475703 12058.264
1840 284.76756 -3135.5685 -2711.9983 74.963176 12059.065
1850 285.23262 -3135.9144 -2711.6525 63.313422 12059.868
1860 287.59513 -3136.7174 -2708.9414 16.900195 12060.673
1870 291.88365 -3139.837 -2705.6822 -81.947776 12061.477
1880 297.09674 -3142.4444 -2700.5355 -189.32901 12062.281
1890 301.6694 -3143.9302 -2695.2199 -277.9193 12063.08
1900 304.34357 -3145.6128 -2692.9248 -345.64008 12063.874
1910 304.49742 -3145.7353 -2692.8185 -364.44614 12064.66
1920 301.94365 -3143.366 -2694.2477 -321.77257 12065.439
1930 297.30708 -3140.5428 -2698.3211 -248.97865 12066.212
1940 292.3767 -3138.0382 -2703.1501 -175.58596 12066.979
1950 289.06842 -3135.4015 -2705.4341 -118.06956 12067.743
1960 288.54857 -3134.7919 -2705.5978 -113.35377 12068.504
1970 291.28654 -3136.4127 -2703.1461 -167.89284 12069.263
1980 296.77748 -3139.504 -2698.07 -263.87897 12070.018
1990 302.64215 -3144.3138 -2694.1565 -379.61612 12070.768
2000 305.92355 -3146.9865 -2691.9484 -442.37589 12071.511
2010 305.08383 -3144.9573 -2691.1682 -408.69411 12072.244
2020 301.30199 -3141.9778 -2693.814 -334.89532 12072.968
2030 297.71718 -3140.201 -2697.3693 -278.09509 12073.686
2040 296.3067 -3138.9519 -2698.2182 -250.5732 12074.398
2050 296.03805 -3137.3533 -2697.0191 -233.75655 12075.104
2060 294.89454 -3138.5396 -2699.9064 -243.39432 12075.806
2070 292.60624 -3137.316 -2702.0864 -217.54138 12076.502
2080 290.62022 -3136.5751 -2704.2996 -197.46574 12077.195
2090 289.84652 -3136.4546 -2705.3299 -193.82908 12077.883
2100 290.15123 -3134.0923 -2702.5144 -176.22548 12078.567
2110 291.20453 -3135.6908 -2702.5461 -211.70367 12079.247
2120 293.03103 -3136.8014 -2700.94 -252.07955 12079.923
2130 295.67424 -3138.7661 -2698.9731 -311.74782 12080.594
2140 298.82173 -3139.9155 -2695.4408 -368.35307 12081.258
2150 301.7621 -3142.6231 -2693.7748 -439.72132 12081.914
2160 303.68323 -3143.2778 -2691.572 -476.17297 12082.562
2170 303.51517 -3143.3383 -2691.8825 -480.44269 12083.199
2180 299.6028 -3140.2876 -2694.6511 -409.15659 12083.826
2190 290.86301 -3133.4724 -2700.8357 -250.62673 12084.444
2200 279.55596 -3126.1163 -2710.2979 -67.998936 12085.057
2210 271.64506 -3120.9667 -2716.9152 45.89101 12085.669
2220 272.72983 -3121.2877 -2715.6227 3.4479616 12086.282
2230 282.49476 -3126.8497 -2706.6602 -186.6063 12086.895
2240 295.84778 -3135.7978 -2695.7466 -448.35625 12087.504
2250 307.28595 -3144.0166 -2686.952 -674.72993 12088.103
2260 313.55793 -3146.5107 -2680.117 -771.38374 12088.689
2270 314.10145 -3145.7651 -2678.563 -757.24012 12089.258
2280 310.34308 -3144.0053 -2682.3935 -670.68242 12089.811
2290 303.66293 -3138.6839 -2687.0083 -503.71099 12090.351
2300 295.28158 -3133.4496 -2694.2406 -320.10236 12090.879
2310 287.39767 -3127.5323 -2700.0501 -141.33557 12091.401
2320 282.18015 -3124.2117 -2704.4901 -27.594372 12091.92
2330 280.29887 -3122.1247 -2705.2013 25.619316 12092.439
2340 281.74067 -3121.5251 -2702.4572 17.955746 12092.958
2350 285.61442 -3123.3435 -2698.5137 -48.304427 12093.477
2360 290.12209 -3125.8827 -2694.3481 -131.24418 12093.996
2370 293.25218 -3128.2125 -2692.0221 -196.68829 12094.512
2380 294.46046 -3127.9604 -2689.9728 -209.65708 12095.024
2390 294.59077 -3128.8993 -2690.7179 -217.26656 12095.532
2400 294.32052 -3127.8423 -2690.0628 -193.45405 12096.035
2410 294.2346 -3127.84 -2690.1883 -179.23978 12096.534
2420 294.54932 -3128.7848 -2690.665 -178.76691 12097.029
2430 294.60163 -3130.0666 -2691.869 -182.66257 12097.52
2440 293.60574 -3129.2729 -2692.5566 -160.91845 12098.008
2450 292.55588 -3128.831 -2693.6763 -150.74771 12098.492
2460 293.60843 -3130.0511 -2693.3309 -186.49426 12098.973
2470 297.32779 -3131.6247 -2689.3721 -257.22308 12099.451
2480 301.65268 -3135.7427 -2687.0572 -367.93332 12099.922
2490 304.8172 -3137.8316 -2684.4391 -448.70478 12100.386
2500 306.86394 -3138.584 -2682.1471 -502.566 12100.841
2510 308.46224 -3140.0661 -2681.2519 -555.41833 12101.285
2520 309.7707 -3140.6837 -2679.9232 -590.69083 12101.717
2530 310.37936 -3141.9785 -2680.3127 -621.02528 12102.137
2540 309.41333 -3140.8153 -2680.5864 -603.7734 12102.543
2550 306.10991 -3136.1153 -2680.8 -522.73856 12102.937
2560 301.10122 -3131.4981 -2683.6329 -426.11507 12103.319
2570 296.20618 -3128.6783 -2688.094 -353.29859 12103.692
2580 293.31375 -3127.3127 -2691.0307 -320.3616 12104.058
2590 293.28517 -3127.7638 -2691.5244 -339.6324 12104.417
2600 295.48473 -3130.486 -2690.9748 -406.21664 12104.769
2610 297.69744 -3132.9536 -2690.1512 -468.13436 12105.112
2620 298.10404 -3133.4521 -2690.045 -487.36547 12105.445
2630 297.07012 -3132.5097 -2690.6405 -472.43503 12105.768
2640 296.36657 -3132.2024 -2691.3796 -461.90478 12106.08
2650 296.77962 -3129.8127 -2688.3755 -433.74015 12106.383
2660 297.36534 -3129.9188 -2687.6104 -428.58102 12106.677
2670 296.3424 -3127.8029 -2687.016 -379.50876 12106.961
2680 293.21361 -3125.212 -2689.079 -303.75602 12107.238
2690 289.64743 -3123.2256 -2692.397 -232.8352 12107.508
2700 288.13648 -3122.7301 -2694.1489 -201.86254 12107.773
2710 289.54933 -3123.8265 -2693.1439 -223.66002 12108.033
2720 292.8969 -3127.6425 -2691.9805 -302.9934 12108.289
2730 296.3685 -3131.2832 -2690.4576 -391.34603 12108.539
2740 299.02763 -3131.3062 -2686.5253 -441.16215 12108.78
2750 301.13123 -3132.2426 -2684.3327 -498.9631 12109.012
2760 302.41017 -3133.2394 -2683.4272 -548.57358 12109.233
2770 302.12672 -3132.9723 -2683.5817 -566.37497 12109.443
2780 300.29595 -3132.3738 -2685.7063 -559.77918 12109.64
2790 297.45149 -3131.1728 -2688.7363 -529.10072 12109.826
2800 293.9791 -3129.2515 -2691.9798 -477.63274 12110
2810 290.44199 -3126.4968 -2694.4863 -412.51717 12110.164
2820 288.49956 -3126.7385 -2697.6173 -394.16057 12110.319
2830 290.36645 -3127.5043 -2695.6062 -418.6363 12110.466
2840 296.66358 -3130.96 -2689.6954 -517.2641 12110.604
2850 305.22723 -3137.8985 -2683.8961 -676.79937 12110.731
2860 312.09561 -3141.768 -2677.5494 -787.36177 12110.843
2870 314.36288 -3144.5339 -2676.943 -841.64297 12110.939
2880 312.2235 -3143.0507 -2678.6419 -802.00108 12111.017
2890 307.66379 -3138.8917 -2681.2651 -704.99552 12111.077
2900 303.04484 -3134.3033 -2683.5471 -599.53241 12111.123
2910 299.98224 -3132.4219 -2686.2211 -540.35736 12111.156
2920 299.80934 -3133.8227 -2687.8791 -551.28082 12111.176
2930 302.7027 -3136.3958 -2686.1484 -610.61865 12111.186
2940 306.40795 -3137.3205 -2681.5619 -664.80227 12111.182
2950 308.58448 -3139.2443 -2680.2483 -718.77132 12111.164
2960 309.3908 -3140.5639 -2680.3686 -751.01799 12111.13
2970 310.08167 -3140.7513 -2679.5283 -762.36653 12111.08
2980 310.49265 -3142.0559 -2680.2216 -774.7443 12111.014
2990 309.28099 -3141.7888 -2681.7568 -747.36238 12110.932
3000 305.60962 -3137.8961 -2683.3249 -652.66014 12110.833
3010 300.0649 -3133.3042 -2686.9804 -532.03187 12110.721
3020 294.46705 -3129.9918 -2691.9943 -430.34667 12110.597
3030 291.39405 -3129.0355 -2695.6089 -385.67591 12110.464
3040 292.00027 -3128.3829 -2694.0547 -384.04091 12110.322
3050 294.14221 -3129.3712 -2691.8569 -417.77887 12110.172
3060 294.70259 -3130.1301 -2691.7824 -436.08944 12110.014
3070 292.98525 -3128.5757 -2692.7823 -408.09587 12109.845
3080 290.65531 -3126.1826 -2693.8549 -365.05417 12109.669
3090 289.88035 -3124.3924 -2693.2173 -343.32861 12109.484
3100 291.63884 -3125.7531 -2691.9624 -377.20381 12109.292
3110 294.66531 -3127.6376 -2689.3452 -424.05612 12109.092
3120 296.57124 -3128.9725 -2687.8452 -449.25048 12108.883
3130 295.96766 -3129.1428 -2688.9133 -432.25495 12108.664
3140 293.56706 -3126.5619 -2689.9031 -364.12263 12108.437
3150 291.53672 -3126.0903 -2692.4515 -319.0526 12108.201
3160 290.59498 -3124.6994 -2692.4614 -272.38083 12107.959
3170 289.94421 -3124.1735 -2692.9035 -241.29597 12107.71
3180 289.52603 -3125.0023 -2694.3543 -233.95254 12107.457
3190 290.23612 -3124.8043 -2693.1 -234.72747 12107.198
3200 293.05609 -3125.8714 -2689.9727 -279.77801 12106.935
3210 298.04284 -3130.0889 -2686.7727 -387.64604 12106.665
3220 303.50939 -3135.3132 -2683.866 -513.83496 12106.387
3230 307.19323 -3136.3515 -2679.4249 -574.6947 12106.098
3240 307.72444 -3136.8114 -2679.0946 -593.32166 12105.797
3250 305.2453 -3136.6636 -2682.6343 -571.65615 12105.483
3260 301.72729 -3132.61 -2683.8135 -494.65963 12105.157
3270 300.10802 -3132.1716 -2685.7837 -473.39438 12104.82
3280 302.14739 -3134.6494 -2685.228 -517.92148 12104.473
3290 306.88721 -3137.2485 -2680.777 -588.7516 12104.115
3300 311.37846 -3138.6168 -2675.4649 -640.45289 12103.744
3310 312.65663 -3139.3624 -2674.3093 -649.96904 12103.359
3320 310.06899 -3136.1154 -2674.9113 -572.4536 12102.961
3330 305.41554 -3132.9533 -2678.6708 -471.24302 12102.55
3340 301.10403 -3131.3581 -2683.4887 -385.53348 12102.129
3350 297.33762 -3130.6849 -2688.4177 -314.44326 12101.7
3360 293.21947 -3127.9144 -2691.7727 -225.69871 12101.263
3370 289.64673 -3126.1953 -2695.3677 -167.24789 12100.822
3380 288.78211 -3125.2539 -2695.7124 -156.33544 12100.377
3390 291.97312 -3127.3854 -2693.0975 -226.14551 12099.929
3400 298.4018 -3131.3404 -2687.4904 -351.06261 12099.476
3410 305.72923 -3137.1313 -2682.3822 -504.02874 12099.015
3420 311.52951 -3142.6024 -2679.2258 -630.70327 12098.543
3430 313.86504 -3144.1161 -2677.2657 -668.41415 12098.058
3440 312.03148 -3140.7673 -2676.6441 -599.4218 12097.558
3450 306.82902 -3137.0767 -2680.6918 -482.95643 12097.046
3460 300.09113 -3131.7489 -2685.3861 -328.68685 12096.524
3470 294.05615 -3129.5612 -2692.175 -217.128 12095.994
3480 290.41137 -3125.2939 -2693.329 -112.95858 12095.46
3490 289.66155 -3124.1775 -2693.3279 -81.556637 12094.923
3500 291.32943 -3123.8936 -2690.5632 -93.37043 12094.384
3510 294.72037 -3125.9089 -2687.5347 -152.08546 12093.843
3520 298.91331 -3130.2161 -2685.6052 -241.27609 12093.299
3530 302.5869 -3132.5676 -2682.4925 -297.86157 12092.75
3540 304.5478 -3134.3375 -2681.3457 -322.87484 12092.194
3550 304.02364 -3134.8282 -2682.6161 -301.50829 12091.631
3560 301.01001 -3132.7226 -2684.993 -225.12013 12091.062
3570 296.9966 -3129.8908 -2688.1309 -133.34263 12090.488
3580 294.24393 -3128.6308 -2690.9652 -75.344057 12089.911
3590 294.09923 -3128.8696 -2691.4193 -65.394192 12089.332
3600 296.49202 -3130.9466 -2689.9372 -107.93061 12088.752
3610 300.46958 -3133.7807 -2686.8549 -180.85659 12088.169
3620 304.78324 -3136.2012 -2682.8592 -257.13751 12087.583
3630 308.72194 -3137.8257 -2678.6253 -320.83483 12086.991
3640 311.8358 -3140.0343 -2676.2022 -377.70186 12086.392
3650 313.09971 -3140.1121 -2674.4 -386.14363 12085.785
3660 311.61516 -3138.1971 -2674.6932 -341.31982 12085.17
3670 308.28596 -3135.4703 -2676.9183 -266.13767 12084.547
3680 304.86904 -3135.0478 -2681.5782 -214.63803 12083.919
3690 302.43358 -3132.1824 -2682.3354 -148.18968 12083.286
3700 301.08471 -3129.9728 -2682.1322 -103.94983 12082.65
3710 300.80216 -3130.5077 -2683.0872 -103.70651 12082.011
3720 301.62844 -3132.1138 -2683.4643 -127.17654 12081.37
3730 303.71372 -3132.9224 -2681.1713 -152.14954 12080.726
3740 306.77133 -3133.1239 -2676.8247 -176.12167 12080.079
3750 309.7826 -3135.2619 -2674.4837 -215.85938 12079.428
3760 311.63875 -3138.0152 -2674.4762 -248.95404 12078.772
3770 312.35186 -3137.8329 -2673.2332 -239.83761 12078.111
3780 312.65592 -3138.0174 -2672.9654 -231.89293 12077.445
3790 312.52622 -3138.0195 -2673.1604 -219.42029 12076.773
3800 311.42054 -3137.4444 -2674.23 -194.48062 12076.097
3810 310.35258 -3137.184 -2675.5581 -207.8042 12075.416
3820 311.44077 -3135.6791 -2672.4346 -203.78623 12074.73
3830 315.17552 -3137.0847 -2668.285 -260.27492 12074.041
3840 320.27267 -3141.8136 -2665.4322 -365.01227 12073.345
3850 323.96204 -3145.825 -2663.9561 -444.87538 12072.642
3860 323.81143 -3145.1717 -2663.5268 -432.48435 12071.929
3870 319.45717 -3141.1811 -2666.0128 -340.21951 12071.207
3880 313.05252 -3136.1511 -2670.5092 -214.23967 12070.477
3890 306.91182 -3130.9139 -2674.4058 -89.174103 12069.743
3900 302.04588 -3128.2796 -2679.0092 -7.7834305 12069.007
3910 298.59182 -3126.897 -2682.7643 39.267878 12068.271
3920 297.40286 -3127.759 -2685.3948 34.686506 12067.535
3930 298.98252 -3128.7189 -2684.0051 -0.39072956 12066.8
3940 302.92238 -3131.0685 -2680.4944 -71.592485 12066.065
3950 308.11029 -3134.9533 -2676.6626 -168.00362 12065.328
3960 313.70373 -3137.9393 -2671.3287 -252.09959 12064.588
3970 318.59664 -3142.5479 -2668.6596 -341.18346 12063.842
3980 321.5519 -3145.6685 -2667.3845 -389.5902 12063.088
3990 321.64901 -3145.8662 -2667.4377 -374.8169 12062.327
4000 319.43758 -3145.4985 -2670.3593 -329.97896 12061.558
4010 316.6995 -3145.0267 -2673.9602 -278.48757 12060.781
4020 314.55126 -3143.5249 -2675.6537 -221.15533 12059.999
4030 312.76545 -3139.9108 -2674.6959 -147.24121 12059.212
4040 311.29541 -3139.2789 -2676.2506 -114.64926 12058.421
4050 310.50948 -3138.4761 -2676.6167 -91.505927 12057.628
4060 310.27322 -3139.1109 -2677.603 -94.801253 12056.833
4070 310.46287 -3138.8629 -2677.0729 -98.390133 12056.035
4080 311.26284 -3140.0936 -2677.1137 -127.45383 12055.236
4090 312.74391 -3140.0934 -2674.9105 -150.40092 12054.433
4100 315.25343 -3140.5532 -2671.6376 -187.1569 12053.628
4110 318.28598 -3142.3787 -2668.9524 -210.18551 12052.818
4120 320.20823 -3143.9322 -2667.6468 -240.8742 12052.004
4130 319.47884 -3145.141 -2669.9405 -234.44136 12051.186
4140 316.33241 -3144.4639 -2673.9434 -176.3857 12050.362
4150 312.84172 -3140.9095 -2675.5812 -75.899426 12049.534
4160 310.42942 -3140.507 -2678.7668 -12.949553 12048.705
4170 308.31916 -3140.4571 -2681.8557 47.930826 12047.875
4180 305.10333 -3138.1569 -2684.3389 146.62392 12047.047
4190 300.41369 -3135.1827 -2688.3401 266.72375 12046.221
4200 295.53907 -3130.3648 -2690.7728 406.07691 12045.401
4210 292.21914 -3128.2479 -2693.5941 494.60829 12044.589
4220 291.30651 -3125.5093 -2692.2129 556.83123 12043.788
4230 292.74868 -3127.6346 -2692.1931 530.90806 12042.998
4240 296.08528 -3131.1321 -2690.7277 458.53726 12042.219
4250 300.96581 -3134.9625 -2687.2987 361.01769 12041.45
4260 306.18307 -3138.9102 -2683.486 257.53958 12040.688
4270 310.22577 -3142.5357 -2681.0984 170.74776 12039.932
4280 312.70781 -3143.4507 -2678.3215 131.17739 12039.18
4290 315.4232 -3142.434 -2673.2659 114.29472 12038.43
4300 320.286 -3143.2454 -2666.8443 63.893017 12037.683
4310 326.975 -3148.1224 -2661.7718 -67.002632 12036.936
4320 331.99482 -3153.2778 -2659.4607 -144.4139 12036.188
4330 331.76521 -3153.0428 -2659.5671 -104.59152 12035.437
4340 325.91367 -3150.0515 -2665.2796 22.617259 12034.684
4350 317.76868 -3144.0094 -2671.3525 205.60956 12033.931
4360 311.42872 -3139.4963 -2676.2697 350.39184 12033.183
4370 308.68486 -3138.1627 -2679.0173 415.25766 12032.442
4380 309.18203 -3138.8385 -2678.9536 413.41627 12031.71
4390 311.95907 -3140.7217 -2676.7063 364.86183 12030.986
4400 315.84013 -3144.04 -2674.2518 282.23113 12030.27
4410 318.72789 -3145.946 -2671.8624 252.16767 12029.56
4420 318.64362 -3145.8356 -2671.8774 249.11498 12028.855
4430 314.72265 -3143.5993 -2675.4733 313.43873 12028.156
4440 307.96745 -3140.621 -2682.5428 417.43445 12027.463
4450 301.10468 -3136.5116 -2688.6412 535.13216 12026.779
4460 296.70824 -3133.5352 -2692.2042 612.15682 12026.107
4470 295.4916 -3133.1279 -2693.6066 621.89548 12025.447
4480 296.3343 -3133.556 -2692.7812 595.07867 12024.8
4490 297.54923 -3134.2576 -2691.6757 553.46317 12024.166
4500 298.94066 -3133.5106 -2688.859 521.96804 12023.544
4510 300.88771 -3135.4036 -2687.8559 457.65741 12022.932
4520 303.32495 -3137.7869 -2686.6141 390.50155 12022.33
4530 305.49204 -3139.3187 -2684.9225 343.34251 12021.736
4540 306.73285 -3139.9184 -2683.6765 324.83667 12021.15
4550 306.63092 -3140.597 -2684.5068 327.66447 12020.57
4560 305.21784 -3140.5898 -2686.6014 358.10942 12019.998
4570 302.95691 -3139.8325 -2689.2071 407.8002 12019.433
4580 301.34134 -3137.5736 -2689.3512 468.7482 12018.876
4590 301.99563 -3140.118 -2690.9224 454.55756 12018.329
4600 304.90371 -3143.5146 -2689.9934 407.28635 12017.792
4610 308.66875 -3145.1679 -2686.0465 368.0592 12017.264
4620 311.86742 -3147.597 -2683.7179 324.06449 12016.743
4630 312.99991 -3148.6642 -2683.1005 313.16179 12016.229
4640 310.9728 -3146.781 -2684.2325 362.43743 12015.722
4650 306.1531 -3142.2111 -2686.8316 463.26539 12015.222
4660 300.75125 -3138.7966 -2691.4519 551.45561 12014.732
4670 297.11189 -3136.2664 -2694.335 607.41585 12014.254
4680 295.9116 -3135.3779 -2695.2318 615.29774 12013.789
4690 296.59516 -3134.6742 -2693.5114 599.3367 12013.336
4700 298.40058 -3134.6515 -2690.8032 563.78609 12012.896
4710 301.55041 -3137.7118 -2689.1784 485.21448 12012.468
4720 306.4176 -3142.2859 -2686.5129 381.23398 12012.051
4730 312.34566 -3145.9298 -2681.3393 287.3279 12011.641
4740 317.5462 -3149.1829 -2676.857 215.22781 12011.238
4750 320.25857 -3153.7922 -2677.4318 160.28009 12010.839
4760 319.98967 -3154.2688 -2678.3084 186.03745 12010.443
4770 317.03254 -3152.0078 -2680.4459 269.32779 12010.052
4780 312.52819 -3149.0169 -2684.1549 372.14197 12009.666
4790 308.2429 -3145.662 -2687.174 468.76497 12009.288
4800 305.60969 -3143.507 -2688.9357 525.46483 12008.92
4810 305.42282 -3144.8379 -2690.5446 478.27286 12008.563
4820 307.86201 -3146.0426 -2688.1212 424.66716 12008.215
4830 311.5553 -3148.1311 -2684.7162 341.93864 12007.877
4840 314.44552 -3151.1107 -2683.3968 255.30391 12007.545
4850 315.02192 -3151.9413 -2683.37 216.01496 12007.22
4860 313.65398 -3152.7266 -2686.1901 198.93066 12006.898
4870 312.09938 -3149.9624 -2685.7382 227.52096 12006.581
4880 312.01208 -3148.625 -2684.5307 232.30893 12006.269
4890 313.92609 -3148.9614 -2682.0202 205.45171 12005.962
4900 317.01945 -3151.5779 -2680.0355 147.96507 12005.659
4910 319.1105 -3153.2881 -2678.6355 144.38569 12005.359
4920 318.72129 -3153.335 -2679.2613 159.51768 12005.062
4930 315.44354 -3150.3681 -2681.1697 240.06516 12004.769
4940 309.55912 -3146.6943 -2686.2486 354.26348 12004.481
4950 302.16322 -3143.2351 -2693.7902 475.29996 12004.201
4960 295.55493 -3139.0282 -2699.4126 586.22239 12003.931
4970 292.50844 -3137.5384 -2702.4543 620.20273 12003.673
4980 294.37852 -3140.1443 -2702.2785 550.93838 12003.427
4990 299.93164 -3143.0568 -2696.9312 435.98858 12003.194
5000 306.2746 -3148.5255 -2692.9652 283.91016 12002.969
Loop time of 1.61538 on 1 procs for 5000 steps with 500 atoms
Performance: 267.430 ns/day, 0.090 hours/ns, 3095.256 timesteps/s
100.0% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.3043 | 1.3043 | 1.3043 | 0.0 | 80.74
Bond | 0.00040841 | 0.00040841 | 0.00040841 | 0.0 | 0.03
Neigh | 0.025252 | 0.025252 | 0.025252 | 0.0 | 1.56
Comm | 0.046347 | 0.046347 | 0.046347 | 0.0 | 2.87
Output | 0.004765 | 0.004765 | 0.004765 | 0.0 | 0.29
Modify | 0.17845 | 0.17845 | 0.17845 | 0.0 | 11.05
Other | | 0.05587 | | | 3.46
Nlocal: 500 ave 500 max 500 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1626 ave 1626 max 1626 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 14730 ave 14730 max 14730 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14730
Ave neighs/atom = 29.46
Ave special neighs/atom = 0
Neighbor list builds = 26
Dangerous builds = 0
#write_data lj-out.data
Total wall time: 0:00:01