Skipping 717 KB..
Full Log
ENERGY: 83 17463.4116 17611.3785 5761.4800 185.4557 -334548.5451 23165.5264 0.0000 0.0000 47631.4997 -222729.7932 173.2703 -270361.2929 -222380.8000 173.2703 -2245.6202 -2209.9239 921491.4634 -2245.6202 -2209.9239
ENERGY: 84 15692.0182 17521.7595 5761.2958 180.7102 -333070.6345 23043.3534 0.0000 0.0000 48072.9174 -222798.5801 174.8761 -270871.4975 -222420.9191 174.8761 -1264.6408 -2119.1646 921491.4634 -1264.6408 -2119.1646
ENERGY: 85 19034.4749 18377.7083 5761.3316 176.5397 -332350.3364 22972.2187 0.0000 0.0000 43641.9416 -222386.1215 158.7574 -266028.0631 -222396.4596 158.7574 -1101.4912 -2031.8233 921491.4634 -1101.4912 -2031.8233
ENERGY: 86 22361.2996 19720.3242 5758.5583 173.6091 -332514.8438 22921.5212 0.0000 0.0000 39480.2343 -222099.2972 143.6182 -261579.5314 -222396.4727 143.6182 -1408.4308 -1992.0456 921491.4634 -1408.4308 -1992.0456
ENERGY: 87 21898.5872 20858.8153 5750.7775 172.4431 -333299.4427 22859.7331 0.0000 0.0000 39513.3019 -222245.7845 143.7385 -261759.0864 -222398.3220 143.7385 -1739.2135 -2002.6067 921491.4634 -1739.2135 -2002.6067
ENERGY: 88 19807.2123 21236.1263 5737.2297 173.3188 -334313.4194 22793.0785 0.0000 0.0000 42007.3340 -222559.1198 152.8111 -264566.4538 -222408.9127 152.8111 -2036.3958 -2043.8955 921491.4634 -2036.3958 -2043.8955
ENERGY: 89 20138.2921 20745.5547 5719.3133 176.3160 -335202.8321 22743.6988 0.0000 0.0000 43113.7498 -222565.9074 156.8360 -265679.6572 -222389.0012 156.8360 -2409.8246 -2071.1686 921491.4634 -2409.8246 -2071.1686
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 90 22711.6048 19691.0676 5699.8921 181.1111 -335712.1130 22705.2745 0.0000 0.0000 42377.6759 -222345.4869 154.1583 -264723.1628 -222389.2091 154.1583 -2670.9832 -2080.5818 921491.4634 -2670.9832 -2080.5818
ENERGY: 91 23737.5989 18627.1145 5683.0577 187.2277 -335678.4156 22643.5818 0.0000 0.0000 42539.3830 -222260.4520 154.7466 -264799.8350 -222388.3579 154.7466 -2499.0954 -2078.8098 921491.4634 -2499.0954 -2078.8098
ENERGY: 92 21523.8222 18060.4536 5672.6738 194.0387 -335129.0785 22543.7115 0.0000 0.0000 44665.3079 -222469.0708 162.4801 -267134.3787 -222389.6058 162.4801 -1910.9684 -2078.9075 921491.4634 -1910.9684 -2078.9075
ENERGY: 93 18788.3599 18281.5994 5671.3716 200.9119 -334319.2924 22433.7892 0.0000 0.0000 46311.8833 -222631.3770 168.4699 -268943.2603 -222367.8860 168.4699 -1385.1719 -2068.2565 921491.4634 -1385.1719 -2068.2565
ENERGY: 94 18530.9329 19242.9914 5679.4418 207.1113 -333693.3060 22351.2077 0.0000 0.0000 45144.9171 -222536.7039 164.2248 -267681.6210 -222367.0864 164.2248 -1347.2601 -2063.4575 921491.4634 -1347.2601 -2063.4575
ENERGY: 95 20040.4586 20654.3435 5695.3527 212.0382 -333603.6975 22302.2586 0.0000 0.0000 42387.6997 -222311.5462 154.1948 -264699.2459 -222367.4633 154.1948 -1793.7082 -2083.6407 921491.4634 -1793.7082 -2083.6407
ENERGY: 96 20584.1064 22050.3787 5716.0483 215.1945 -334091.8990 22265.7316 0.0000 0.0000 40970.7076 -222289.7317 149.0402 -263260.4394 -222356.3661 149.0402 -2389.6990 -2142.8256 921491.4634 -2389.6990 -2142.8256
ENERGY: 97 19809.1308 22949.2010 5737.7476 216.2279 -334886.9639 22225.8322 0.0000 0.0000 41505.2398 -222443.5846 150.9847 -263948.8244 -222346.5816 150.9847 -2891.9373 -2214.1666 921491.4634 -2891.9373 -2214.1666
ENERGY: 98 19979.7556 22958.8352 5756.3117 214.8681 -335616.8430 22188.2114 0.0000 0.0000 41993.4227 -222525.4383 152.7605 -264518.8610 -222347.6399 152.7605 -3206.5489 -2272.3421 921491.4634 -3206.5489 -2272.3421
ENERGY: 99 22029.8951 22024.0795 5768.5777 211.0972 -336009.8229 22159.4701 0.0000 0.0000 41425.1769 -222391.5264 150.6934 -263816.7033 -222348.0705 150.6934 -3235.8098 -2296.7688 921491.4634 -3235.8098 -2296.7688
LDB: ============= START OF LOAD BALANCING ============== 54.201
LDB: Largest compute 200 load 0.428006 is 1.2% of average load 36.833847
LDB: Average compute 0.051595 is 0.1% of average load 36.833847
LDB: Partitioning computes with target load 3.683385
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055438
LDB: ============== END OF LOAD BALANCING =============== 54.2031
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.204
Info: Initial time: 4 CPUs 0.472974 s/step 5.47423 days/ns 3221.59 MB memory
TIMING: 100 CPU: 48.2678, 0.47195/step Wall: 48.2677, 0.47195/step, 0.0524389 hours remaining, 3221.589844 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 100 23587.3020 20475.3729 5773.0375 205.1509 -335896.4622 22125.7987 0.0000 0.0000 41455.8050 -222273.9950 150.8048 -263729.8000 -222326.1725 150.8048 -2788.3920 -2294.3880 921491.4634 -2788.3920 -2294.3880
ENERGY: 101 22287.3000 18933.8501 5770.3900 197.5201 -335238.2412 22065.3980 0.0000 0.0000 43590.2956 -222393.4874 158.5695 -265983.7830 -222319.4707 158.5695 -1880.2674 -2262.6846 921491.4634 -1880.2674 -2262.6846
ENERGY: 102 19420.3336 17951.6561 5762.8059 188.8891 -334088.2234 21980.7895 0.0000 0.0000 46153.7218 -222630.0274 167.8946 -268783.7492 -222317.3982 167.8946 -924.5795 -2215.2271 921491.4634 -924.5795 -2215.2271
ENERGY: 103 18429.6589 17794.2510 5753.5002 180.0834 -332765.4445 21898.9792 0.0000 0.0000 46061.5884 -222647.3834 167.5594 -268708.9718 -222315.0115 167.5594 -521.9324 -2162.1475 921491.4634 -521.9324 -2162.1475
ENERGY: 104 20135.5162 18313.1192 5745.4365 171.9705 -331716.6193 21838.6802 0.0000 0.0000 43114.8219 -222397.0748 156.8399 -265511.8967 -222300.0342 156.8399 -904.7452 -2132.5694 921491.4634 -904.7452 -2132.5694
ENERGY: 105 21674.8147 19112.5119 5740.5773 165.3638 -331353.5905 21791.8563 0.0000 0.0000 40663.3131 -222205.1533 147.9220 -262868.4664 -222297.2862 147.9220 -1781.0302 -2140.0925 921491.4634 -1781.0302 -2140.0925
ENERGY: 106 20688.3525 19760.1603 5739.0355 160.9482 -331684.6912 21743.4748 0.0000 0.0000 41270.8908 -222321.8289 150.1322 -263592.7198 -222299.8103 150.1322 -2687.8654 -2192.8737 921491.4634 -2687.8654 -2192.8737
ENERGY: 107 18828.1850 20041.3660 5739.7936 159.1631 -332486.5660 21693.8616 0.0000 0.0000 43452.4231 -222571.7736 158.0680 -266024.1967 -222302.3924 158.0680 -3435.4055 -2264.9714 921491.4634 -3435.4055 -2264.9714
ENERGY: 108 19374.7526 19955.6334 5740.9974 160.1493 -333435.9263 21654.4582 0.0000 0.0000 43952.1728 -222597.7626 159.8859 -266549.9354 -222305.0564 159.8859 -3989.5483 -2325.7046 921491.4634 -3989.5483 -2325.7046
ENERGY: 109 22394.0521 19651.8555 5740.7059 163.7566 -334323.6678 21623.9120 0.0000 0.0000 42380.9037 -222368.4820 154.1701 -264749.3857 -222289.2483 154.1701 -4162.2877 -2354.5142 921491.4634 -4162.2877 -2354.5142
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 110 24310.7313 19315.3191 5736.8740 169.5643 -334907.1600 21583.6717 0.0000 0.0000 41568.0397 -222222.9600 151.2131 -263790.9997 -222288.3778 151.2131 -3608.1962 -2356.1915 921491.4634 -3608.1962 -2356.1915
ENERGY: 111 22660.5937 19186.3867 5728.6091 176.9885 -335028.8261 21518.8536 0.0000 0.0000 43385.4034 -222371.9911 157.8242 -265757.3945 -222286.8997 157.8242 -2331.3778 -2338.2312 921491.4634 -2331.3778 -2338.2312
ENERGY: 112 19381.8200 19463.5169 5716.4074 185.3624 -334677.6374 21440.9489 0.0000 0.0000 45860.8184 -222628.7634 166.8291 -268489.5818 -222302.4568 166.8291 -894.2293 -2309.1964 921491.4634 -894.2293 -2309.1964
ENERGY: 113 18216.1582 20180.8083 5702.4491 194.0323 -334046.4825 21376.2232 0.0000 0.0000 45761.5815 -222615.2300 166.4681 -268376.8115 -222273.7401 166.4681 -55.6425 -2273.8625 921491.4634 -55.6425 -2273.8625
ENERGY: 114 19843.9973 21062.4094 5689.3793 202.2945 -333472.4289 21337.7637 0.0000 0.0000 42964.6870 -222371.8977 156.2937 -265336.5847 -222272.2453 156.2937 -128.5963 -2261.6571 921491.4634 -128.5963 -2261.6571
ENERGY: 115 21448.4485 21679.6561 5680.2429 209.5308 -333239.9680 21316.4508 0.0000 0.0000 40710.1056 -222195.5332 148.0922 -262905.6388 -222272.7007 148.0922 -905.3247 -2296.5621 921491.4634 -905.3247 -2296.5621
ENERGY: 116 20838.2582 21694.4196 5677.2615 215.2237 -333429.0368 21301.4964 0.0000 0.0000 41385.0931 -222317.2843 150.5476 -263702.3774 -222276.5258 150.5476 -2000.5239 -2380.1423 921491.4634 -2000.5239 -2380.1423
ENERGY: 117 19309.7303 21105.1712 5681.4214 219.0426 -333858.2254 21295.0742 0.0000 0.0000 43733.0002 -222514.7855 159.0886 -266247.7857 -222254.7026 159.0886 -3196.9893 -2479.5443 921491.4634 -3196.9893 -2479.5443
ENERGY: 118 19488.7485 20180.1712 5691.5867 220.7069 -334305.8418 21303.6951 0.0000 0.0000 44852.5144 -222568.4191 163.1611 -267420.9335 -222257.5958 163.1611 -4287.8518 -2560.8627 921491.4634 -4287.8518 -2560.8627
ENERGY: 119 21608.8170 19327.4369 5705.7183 220.1523 -334582.5767 21318.6507 0.0000 0.0000 43971.5397 -222430.2618 159.9564 -266401.8015 -222258.7220 159.9564 -4948.0951 -2603.4635 921491.4634 -4948.0951 -2603.4635
LDB: ============= START OF LOAD BALANCING ============== 63.6267
LDB: ============== END OF LOAD BALANCING =============== 63.6268
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.6272
TIMING: 120 CPU: 57.6911, 0.471166/step Wall: 57.6911, 0.471166/step, 0.0497342 hours remaining, 3221.867188 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 120 23278.7483 18843.5009 5721.1112 217.5091 -334559.3220 21317.8986 0.0000 0.0000 42838.0030 -222342.5510 155.8329 -265180.5540 -222260.9693 155.8329 -4802.3838 -2609.8232 921491.4634 -4802.3838 -2609.8232
ENERGY: 121 22753.8286 18833.9840 5735.1155 213.1885 -334109.3887 21287.1663 0.0000 0.0000 42902.9082 -222383.1976 156.0690 -265286.1058 -222238.8456 156.0690 -3789.7329 -2573.0323 921491.4634 -3789.7329 -2573.0323
ENERGY: 122 20911.3204 19183.7911 5744.9150 207.6394 -333246.0911 21235.0876 0.0000 0.0000 43471.2678 -222492.0698 158.1365 -265963.3376 -222236.2048 158.1365 -2259.2350 -2503.9465 921491.4634 -2259.2350 -2503.9465
ENERGY: 123 19716.6567 19702.2261 5748.9495 201.5075 -332195.6665 21181.3173 0.0000 0.0000 43159.1486 -222485.8610 157.0011 -265645.0096 -222233.3016 157.0011 -827.7757 -2423.1751 921491.4634 -827.7757 -2423.1751
ENERGY: 124 19701.7331 20151.8501 5747.1965 195.4812 -331340.9823 21138.0468 0.0000 0.0000 42008.6529 -222398.0218 152.8159 -264406.6746 -222234.8509 152.8159 8.3516 -2371.2952 921491.4634 8.3516 -2371.2952
ENERGY: 125 19961.8490 20319.7042 5741.5018 190.2907 -331002.3874 21106.9631 0.0000 0.0000 41347.6160 -222334.4628 150.4113 -263682.0788 -222218.5352 150.4113 16.1240 -2370.5229 921491.4634 16.1240 -2370.5229
ENERGY: 126 19913.8781 20060.3739 5734.4100 186.3237 -331257.3387 21089.4917 0.0000 0.0000 41888.6055 -222384.2556 152.3792 -264272.8611 -222220.0404 152.3792 -757.3346 -2430.8872 921491.4634 -757.3346 -2430.8872
ENERGY: 127 20034.1248 19457.5518 5728.8730 183.8512 -331985.2680 21088.4980 0.0000 0.0000 43047.2720 -222445.0972 156.5941 -265492.3692 -222223.2518 156.5941 -2122.5054 -2533.3234 921491.4634 -2122.5054 -2533.3234
ENERGY: 128 20681.9269 18818.3077 5727.0308 182.9174 -332977.2827 21101.0436 0.0000 0.0000 44006.3124 -222459.7438 160.0829 -266466.0562 -222232.5707 160.0829 -3698.9566 -2655.1908 921491.4634 -3698.9566 -2655.1908
ENERGY: 129 21368.2886 18554.7975 5729.8505 183.4688 -333997.8249 21115.0501 0.0000 0.0000 44607.0893 -222439.2802 162.2683 -267046.3695 -222215.2566 162.2683 -4993.9821 -2763.9222 921491.4634 -4993.9821 -2763.9222
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 130 21553.6087 18898.7761 5736.4508 185.0194 -334776.0136 21118.0422 0.0000 0.0000 44811.1497 -222472.9667 163.0106 -267284.1164 -222216.5365 163.0106 -5536.0555 -2842.3154 921491.4634 -5536.0555 -2842.3154
ENERGY: 131 21530.9956 19804.6627 5745.0872 187.0957 -335083.2644 21105.7069 0.0000 0.0000 44221.5103 -222488.2060 160.8657 -266709.7162 -222215.1805 160.8657 -5164.7863 -2872.9597 921491.4634 -5164.7863 -2872.9597
ENERGY: 132 21696.5184 20951.9797 5753.4447 189.2233 -334841.7367 21081.3851 0.0000 0.0000 42732.1266 -222437.0590 155.4477 -265169.1856 -222222.8146 155.4477 -4015.6410 -2856.5553 921491.4634 -4015.6410 -2856.5553
ENERGY: 133 21569.7011 21939.4305 5759.4053 191.1377 -334187.7138 21049.8506 0.0000 0.0000 41346.5715 -222331.6171 150.4075 -263678.1886 -222209.0242 150.4075 -2436.6193 -2806.2333 921491.4634 -2436.6193 -2806.2333
ENERGY: 134 20380.1719 22407.7421 5761.0449 192.4922 -333420.8524 21018.0949 0.0000 0.0000 41320.1609 -222341.1454 150.3114 -263661.3064 -222206.0447 150.3114 -846.9780 -2759.4267 921491.4634 -846.9780 -2759.4267
ENERGY: 135 18735.1492 22221.9400 5757.7067 193.2251 -332860.3439 20999.0422 0.0000 0.0000 42497.1277 -222456.1530 154.5929 -264953.2807 -222204.4869 154.5929 191.9083 -2745.1432 921491.4634 191.9083 -2745.1432
ENERGY: 136 18381.4539 21453.0791 5750.0867 193.4037 -332655.7488 21006.3295 0.0000 0.0000 43348.3541 -222523.0419 157.6894 -265871.3959 -222211.0694 157.6894 198.1850 -2776.3543 921491.4634 198.1850 -2776.3543
ENERGY: 137 19975.5716 20347.8313 5740.3098 193.2572 -332832.5919 21040.1067 0.0000 0.0000 43092.4469 -222443.0684 156.7585 -265535.5153 -222209.8938 156.7585 -927.2503 -2841.0685 921491.4634 -927.2503 -2841.0685
ENERGY: 138 21874.8525 19195.4802 5730.8549 192.8766 -333203.4344 21083.5324 0.0000 0.0000 42784.9639 -222340.8740 155.6399 -265125.8379 -222213.1816 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
ENERGY: 139 22116.0296 18330.1125 5724.2506 192.4679 -333575.3364 21115.6333 0.0000 0.0000 43705.6789 -222391.1636 158.9892 -266096.8426 -222217.3489 158.9892 -4443.4108 -3015.1529 921491.4634 -4443.4108 -3015.1529
TIMING: 140 CPU: 67.1033, 0.470611/step Wall: 67.1033, 0.470611/step, 0.0470611 hours remaining, 3222.085938 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 140 20992.5976 17997.1578 5722.1741 192.2140 -333726.9441 21127.4061 0.0000 0.0000 45144.2514 -222551.1432 164.2224 -267695.3946 -222224.0361 164.2224 -5617.7627 -3080.3638 921491.4634 -5617.7627 -3080.3638
ENERGY: 141 20605.2148 18251.9195 5725.3083 192.2642 -333525.1324 21120.3060 0.0000 0.0000 45039.8864 -222590.2331 163.8427 -267630.1195 -222215.3919 163.8427 -6017.5038 -3087.0005 921491.4634 -6017.5038 -3087.0005
ENERGY: 142 21702.7401 18860.4298 5732.9228 192.6003 -332879.0279 21093.2714 0.0000 0.0000 42868.0673 -222428.9962 155.9422 -265297.0636 -222213.3920 155.9422 -5532.0375 -3029.5546 921491.4634 -5532.0375 -3029.5546
ENERGY: 143 22457.6180 19468.7636 5743.5741 193.1827 -331957.5931 21040.0377 0.0000 0.0000 40797.9947 -222256.4223 148.4119 -263054.4170 -222209.6223 148.4119 -4179.8277 -2928.5086 921491.4634 -4179.8277 -2928.5086
ENERGY: 144 21007.3339 19787.0057 5755.2166 193.9151 -331097.8396 20965.2215 0.0000 0.0000 41087.3102 -222301.8366 149.4643 -263389.1468 -222194.0942 149.4643 -2265.2407 -2825.3503 921491.4634 -2265.2407 -2825.3503
ENERGY: 145 18390.7600 19760.7602 5765.7577 194.6436 -330692.1922 20892.9233 0.0000 0.0000 43191.0818 -222496.2656 157.1173 -265687.3475 -222180.9593 157.1173 -495.5029 -2742.5238 921491.4634 -495.5029 -2742.5238
ENERGY: 146 17494.3906 19517.0963 5773.0763 195.1974 -330883.4475 20850.7304 0.0000 0.0000 44468.0626 -222584.8937 161.7626 -267052.9564 -222180.0853 161.7626 380.5832 -2698.3695 921491.4634 380.5832 -2698.3695
ENERGY: 147 19349.0816 19284.4051 5776.1299 195.3841 -331633.2791 20843.7952 0.0000 0.0000 43729.9297 -222454.5535 159.0775 -266184.4832 -222180.7856 159.0775 12.4495 -2697.6200 921491.4634 12.4495 -2697.6200
ENERGY: 148 21731.1610 19240.1450 5775.1361 195.0156 -332748.3461 20852.0477 0.0000 0.0000 42647.1433 -222307.6973 155.1386 -264954.8406 -222173.9043 155.1386 -1313.5163 -2742.2255 921491.4634 -1313.5163 -2742.2255
ENERGY: 149 22154.0981 19476.6231 5771.6403 193.9272 -333952.9656 20853.5363 0.0000 0.0000 43165.2620 -222337.8786 157.0234 -265503.1406 -222149.8013 157.0234 -2998.4812 -2814.2281 921491.4634 -2998.4812 -2814.2281
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 150 21015.8992 19956.3834 5767.3089 192.0924 -334899.3754 20845.5771 0.0000 0.0000 44606.5898 -222515.5247 162.2665 -267122.1145 -222153.2668 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
ENERGY: 151 20656.1100 20586.9275 5763.7530 189.5631 -335303.4338 20835.7247 0.0000 0.0000 44710.6378 -222560.7178 162.6450 -267271.3556 -222155.1382 162.6450 -5407.8406 -2907.6330 921491.4634 -5407.8406 -2907.6330
ENERGY: 152 21757.0224 21203.4202 5761.8055 186.4838 -335072.1085 20820.7501 0.0000 0.0000 42914.6704 -222427.9563 156.1118 -265342.6267 -222175.0514 156.1118 -5552.0271 -2878.0876 921491.4634 -5552.0271 -2878.0876
ENERGY: 153 22396.4537 21618.6021 5761.5688 183.0547 -334307.6857 20787.1624 0.0000 0.0000 41296.2810 -222264.5630 150.2245 -263560.8440 -222152.0203 150.2245 -4765.4776 -2800.4121 921491.4634 -4765.4776 -2800.4121
ENERGY: 154 20952.1343 21640.3346 5761.9240 179.5647 -333344.9133 20735.3659 0.0000 0.0000 41746.1292 -222329.4607 151.8609 -264075.5899 -222148.7914 151.8609 -3178.1874 -2707.3606 921491.4634 -3178.1874 -2707.3606
ENERGY: 155 18734.5492 21249.5939 5761.4993 176.3183 -332564.0954 20691.4723 0.0000 0.0000 43448.4575 -222502.2050 158.0535 -265950.6624 -222145.9853 158.0535 -1408.3064 -2623.9032 921491.4634 -1408.3064 -2623.9032
ENERGY: 156 18312.4484 20599.9073 5758.8570 173.6449 -332218.9146 20684.3829 0.0000 0.0000 44137.5522 -222552.1218 160.5603 -266689.6740 -222166.8047 160.5603 -219.5096 -2571.5313 921491.4634 -219.5096 -2571.5313
ENERGY: 157 20043.0838 19943.2665 5753.0947 171.8900 -332363.0657 20715.7864 0.0000 0.0000 43325.6933 -222410.2510 157.6070 -265735.9443 -222155.5009 157.6070 -38.8544 -2554.7665 921491.4634 -38.8544 -2554.7665
ENERGY: 158 21695.0846 19425.3239 5743.5667 171.3409 -332829.8101 20761.5805 0.0000 0.0000 42713.6820 -222319.2315 155.3806 -265032.9135 -222157.3220 155.3806 -715.5936 -2586.7969 921491.4634 -715.5936 -2586.7969
ENERGY: 159 21695.6535 19084.6410 5730.9315 172.1899 -333376.4005 20800.7929 0.0000 0.0000 43483.6005 -222408.5912 158.1814 -265892.1917 -222160.0969 158.1814 -1882.1013 -2660.7875 921491.4634 -1882.1013 -2660.7875
TIMING: 160 CPU: 76.508, 0.470236/step Wall: 76.508, 0.470236/step, 0.0444112 hours remaining, 3222.250000 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 160 21093.2842 18859.3046 5717.0749 174.4915 -333735.9154 20833.5471 0.0000 0.0000 44515.8596 -222542.3532 161.9365 -267058.2129 -222175.6786 161.9365 -3202.8705 -2752.7604 921491.4634 -3202.8705 -2752.7604
ENERGY: 161 21561.6002 18685.5960 5704.9782 178.2042 -333710.7596 20865.7132 0.0000 0.0000 44220.7113 -222493.9566 160.8628 -266714.6679 -222160.9737 160.8628 -4385.1102 -2823.4851 921491.4634 -4385.1102 -2823.4851
ENERGY: 162 22512.8125 18508.1493 5697.2826 183.0024 -333202.6496 20887.8856 0.0000 0.0000 43070.6067 -222342.9103 156.6790 -265413.5170 -222161.4906 156.6790 -5004.1554 -2859.8870 921491.4634 -5004.1554 -2859.8870
ENERGY: 163 21937.9851 18346.8657 5696.1509 188.4544 -332368.8224 20884.6196 0.0000 0.0000 43005.6962 -222309.0504 156.4429 -265314.7466 -222160.7800 156.4429 -4776.8219 -2868.7270 921491.4634 -4776.8219 -2868.7270
ENERGY: 164 19652.8065 18261.0400 5702.5306 194.0206 -331567.4471 20861.9109 0.0000 0.0000 44426.5346 -222468.6039 161.6115 -266895.1384 -222170.9034 161.6115 -3836.1732 -2870.4449 921491.4634 -3836.1732 -2870.4449
ENERGY: 165 18074.0952 18343.8150 5716.1638 199.2019 -331183.0467 20849.6743 0.0000 0.0000 45425.8564 -222574.2401 165.2468 -268000.0965 -222153.1699 165.2468 -2737.5186 -2867.1447 921491.4634 -2737.5186 -2867.1447
ENERGY: 166 18979.7070 18650.1654 5734.9735 203.3281 -331407.1003 20870.8939 0.0000 0.0000 44483.6889 -222484.3435 161.8194 -266968.0324 -222151.2327 161.8194 -1964.3636 -2870.3839 921491.4634 -1964.3636 -2870.3839
ENERGY: 167 21026.8307 19216.2867 5755.9248 205.8794 -332212.1862 20917.6389 0.0000 0.0000 42775.8062 -222313.8196 155.6066 -265089.6257 -222150.5298 155.6066 -1671.2499 -2889.5868 921491.4634 -1671.2499 -2889.5868
ENERGY: 168 21619.4181 19999.6889 5775.3367 206.4584 -333382.4927 20963.4338 0.0000 0.0000 42492.3351 -222325.8217 154.5754 -264818.1568 -222149.7708 154.5754 -1735.9905 -2933.5977 921491.4634 -1735.9905 -2933.5977
ENERGY: 169 20648.4664 20870.4068 5789.9166 204.9287 -334596.5071 20994.5723 0.0000 0.0000 43600.1911 -222488.0252 158.6055 -266088.2163 -222133.5316 158.6055 -2095.8777 -2988.7948 921491.4634 -2095.8777 -2988.7948
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 170 20485.0014 21574.3800 5797.0542 201.1981 -335480.2502 21017.8094 0.0000 0.0000 43834.2689 -222570.5383 159.4570 -266404.8072 -222135.2421 159.4570 -2696.1967 -3030.4961 921491.4634 -2696.1967 -3030.4961
ENERGY: 171 22225.3642 21884.1725 5796.1347 195.5169 -335757.0015 21036.7488 0.0000 0.0000 42205.8539 -222413.2105 153.5333 -264619.0644 -222135.5893 153.5333 -3373.1626 -3035.3578 921491.4634 -3373.1626 -3035.3578
ENERGY: 172 23612.5242 21689.2904 5788.4217 188.3823 -335345.7508 21036.2039 0.0000 0.0000 40787.7256 -222243.2027 148.3745 -263030.9284 -222132.3043 148.3745 -3754.4379 -3004.4813 921491.4634 -3754.4379 -3004.4813
ENERGY: 173 22089.5491 21081.4670 5776.7002 180.5475 -334414.6778 21003.0505 0.0000 0.0000 41986.3986 -222296.9648 152.7350 -264283.3634 -222121.1462 152.7350 -3608.5985 -2944.3814 921491.4634 -3608.5985 -2944.3814
ENERGY: 174 18699.8472 20250.6916 5763.7521 172.7179 -333314.9343 20954.5022 0.0000 0.0000 44924.4954 -222548.9279 163.4230 -267473.4233 -222120.6680 163.4230 -3086.0087 -2871.4631 921491.4634 -3086.0087 -2871.4631
ENERGY: 175 17219.9376 19455.5735 5752.1494 165.6559 -332464.6997 20928.3118 0.0000 0.0000 46291.0145 -222652.0571 168.3940 -268943.0715 -222120.1887 168.3940 -2676.4055 -2794.4451 921491.4634 -2676.4055 -2794.4451
ENERGY: 176 19195.1040 18891.7630 5743.5896 160.0071 -332124.2130 20943.2095 0.0000 0.0000 44722.5119 -222468.0278 162.6882 -267190.5398 -222127.3370 162.6882 -2658.3221 -2727.5044 921491.4634 -2658.3221 -2727.5044
ENERGY: 177 21863.3196 18664.1736 5738.9484 156.2659 -332371.2413 20981.6519 0.0000 0.0000 42714.2624 -222252.6196 155.3827 -264966.8820 -222125.5137 155.3827 -2870.6846 -2681.8089 921491.4634 -2870.6846 -2681.8089
ENERGY: 178 21917.7899 18733.9560 5737.6245 154.5770 -332975.2976 21015.2133 0.0000 0.0000 43101.1545 -222314.9825 156.7902 -265416.1370 -222126.1322 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
ENERGY: 179 20058.5718 19018.0840 5738.2698 154.9022 -333648.1819 21038.3004 0.0000 0.0000 45070.9164 -222569.1373 163.9556 -267640.0537 -222127.1794 163.9556 -2805.2707 -2668.3444 921491.4634 -2805.2707 -2668.3444
TIMING: 180 CPU: 85.9014, 0.469671/step Wall: 85.9014, 0.469671/step, 0.0417486 hours remaining, 3222.390625 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 180 19770.2942 19384.7964 5738.8341 156.9935 -334084.3523 21065.2916 0.0000 0.0000 45324.2213 -222643.9211 164.8771 -267968.1425 -222142.6344 164.8771 -2684.8628 -2671.3560 921491.4634 -2684.8628 -2671.3560
ENERGY: 181 22122.8095 19693.8083 5737.3498 160.4696 -334134.1966 21097.1423 0.0000 0.0000 42906.0428 -222416.5745 156.0804 -265322.6173 -222134.4681 156.0804 -2655.0377 -2656.7563 921491.4634 -2655.0377 -2656.7563
ENERGY: 182 23922.3457 19800.0772 5732.0748 164.8150 -333691.2982 21109.5294 0.0000 0.0000 40770.0179 -222192.4383 148.3101 -262962.4562 -222132.7634 148.3101 -2461.5986 -2635.7203 921491.4634 -2461.5986 -2635.7203
ENERGY: 183 22149.3486 19677.1533 5722.7616 169.5349 -332921.8736 21084.4911 0.0000 0.0000 41834.8235 -222283.7606 152.1836 -264118.5841 -222131.2589 152.1836 -1990.8046 -2626.5157 921491.4634 -1990.8046 -2626.5157
ENERGY: 184 18376.8755 19424.9914 5710.5468 174.1844 -332181.9080 21042.4479 0.0000 0.0000 44880.5529 -222572.3090 163.2631 -267452.8619 -222144.6142 163.2631 -1576.6175 -2645.2273 921491.4634 -1576.6175 -2645.2273
ENERGY: 185 16957.7745 19234.6872 5697.7241 178.4155 -331895.6961 21023.9443 0.0000 0.0000 46149.4988 -222653.6518 167.8792 -268803.1506 -222128.1656 167.8792 -1752.9883 -2679.2076 921491.4634 -1752.9883 -2679.2076
ENERGY: 186 19266.0407 19234.9570 5686.4352 181.9571 -332240.0937 21043.7459 0.0000 0.0000 44391.5887 -222435.3691 161.4844 -266826.9578 -222129.2888 161.4844 -2596.4732 -2731.4262 921491.4634 -2596.4732 -2731.4262
ENERGY: 187 22073.2968 19471.4303 5678.7398 184.6336 -333156.1126 21076.9265 0.0000 0.0000 42449.0056 -222222.0801 154.4178 -264671.0857 -222130.9080 154.4178 -3641.8535 -2802.0866 921491.4634 -3641.8535 -2802.0866
ENERGY: 188 22101.1829 19886.6773 5676.0120 186.3502 -334382.7612 21093.9044 0.0000 0.0000 43113.1616 -222325.4729 156.8338 -265438.6344 -222135.3910 156.8338 -4316.2655 -2887.0591 921491.4634 -4316.2655 -2887.0591
ENERGY: 189 20394.2460 20391.8601 5678.8863 187.1154 -335558.5041 21096.5840 0.0000 0.0000 45245.6388 -222564.1734 164.5912 -267809.8122 -222116.4326 164.5912 -4451.6370 -2950.0787 921491.4634 -4451.6370 -2950.0787
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 190 20342.0725 20848.4448 5686.3597 187.0164 -336318.7432 21106.5487 0.0000 0.0000 45533.2634 -222615.0377 165.6375 -268148.3011 -222116.1593 165.6375 -4141.9210 -2962.8210 921491.4634 -4141.9210 -2962.8210
ENERGY: 191 22534.8505 21157.2826 5696.5257 186.2614 -336419.5251 21124.8644 0.0000 0.0000 43330.7335 -222389.0069 157.6253 -265719.7405 -222114.1143 157.6253 -3471.5976 -2915.5481 921491.4634 -3471.5976 -2915.5481
ENERGY: 192 23768.4830 21244.3747 5706.8010 185.1520 -335814.4790 21125.1404 0.0000 0.0000 41560.2537 -222224.2742 151.1848 -263784.5280 -222108.6419 151.1848 -2412.4655 -2830.7903 921491.4634 -2412.4655 -2830.7903
ENERGY: 193 21710.8594 21097.1072 5714.9848 184.0569 -334711.3258 21092.9042 0.0000 0.0000 42578.8350 -222332.5783 154.8901 -264911.4133 -222093.8904 154.8901 -1181.4695 -2735.1546 921491.4634 -1181.4695 -2735.1546
ENERGY: 194 18383.3648 20711.5282 5719.3482 183.2863 -333492.4632 21054.1040 0.0000 0.0000 44867.8137 -222573.0180 163.2168 -267440.8317 -222092.1689 163.2168 -314.8316 -2651.4482 921491.4634 -314.8316 -2651.4482
ENERGY: 195 17581.7012 20169.9816 5719.7968 183.0839 -332603.8310 21048.2209 0.0000 0.0000 45307.7485 -222593.2981 164.8171 -267901.0466 -222091.6062 164.8171 -398.0879 -2592.7757 921491.4634 -398.0879 -2592.7757
ENERGY: 196 19755.8664 19594.9321 5717.4229 183.5644 -332319.6953 21082.8579 0.0000 0.0000 43603.6154 -222381.4363 158.6180 -265985.0517 -222096.3129 158.6180 -1480.5941 -2574.8092 921491.4634 -1480.5941 -2574.8092
ENERGY: 197 21700.3670 19122.7581 5714.1451 184.7200 -332668.2733 21129.4588 0.0000 0.0000 42574.3654 -222242.4589 154.8738 -264816.8243 -222086.7182 154.8738 -3040.7438 -2596.5495 921491.4634 -3040.7438 -2596.5495
ENERGY: 198 21224.0059 18800.3006 5711.3574 186.3640 -333385.4999 21161.1533 0.0000 0.0000 43911.2864 -222391.0323 159.7372 -266302.3187 -222090.4394 159.7372 -4381.6809 -2646.7680 921491.4634 -4381.6809 -2646.7680
ENERGY: 199 20113.4046 18634.4040 5710.3429 188.2374 -334151.8588 21182.1777 0.0000 0.0000 45722.9589 -222600.3332 166.3276 -268323.2921 -222093.2753 166.3276 -5152.2285 -2691.5412 921491.4634 -5152.2285 -2691.5412
LDB: ============= START OF LOAD BALANCING ============== 101.23
LDB: Largest compute 200 load 0.424399 is 1.2% of average load 36.650270
LDB: Average compute 0.051336 is 0.1% of average load 36.650270
LDB: TIME 101.232 LOAD: AVG 36.6503 MAX 37.603 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.73 MB
LDB: TIME 101.234 LOAD: AVG 36.6503 MAX 37.5134 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.73 MB
LDB: ============== END OF LOAD BALANCING =============== 101.236
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.239
Info: Initial time: 4 CPUs 0.470218 s/step 5.44233 days/ns 3223.43 MB memory
TIMING: 200 CPU: 95.2993, 0.469894/step Wall: 95.2993, 0.469894/step, 0.0391579 hours remaining, 3223.425781 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6836 18595.6349 5711.8747 190.0258 -334670.2809 21209.9247 0.0000 0.0000 45319.1600 -222569.9771 164.8586 -267889.1371 -222114.5244 164.8586 -5241.8525 -2703.6813 921491.4634 -5241.8525 -2703.6813
ENERGY: 201 23380.1030 18674.3333 5716.2802 191.4189 -334751.7129 21239.1340 0.0000 0.0000 43222.4694 -222327.9741 157.2315 -265550.4435 -222100.1077 157.2315 -4546.2003 -2661.1900 921491.4634 -4546.2003 -2661.1900
ENERGY: 202 23622.8116 18850.8449 5722.5980 192.1474 -334305.3004 21243.2751 0.0000 0.0000 42432.5588 -222241.0646 154.3580 -264673.6234 -222096.8290 154.3580 -3005.0518 -2588.0013 921491.4634 -3005.0518 -2588.0013
ENERGY: 203 20743.8944 19130.0389 5729.2400 192.0764 -333501.9370 21215.8254 0.0000 0.0000 44059.6987 -222431.1633 160.2771 -266490.8620 -222093.6426 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
ENERGY: 204 17862.6124 19486.9555 5734.1463 191.2124 -332722.2199 21188.8402 0.0000 0.0000 45629.4720 -222628.9810 165.9875 -268258.4530 -222116.7002 165.9875 452.9932 -2462.2929 921491.4634 452.9932 -2462.2929
ENERGY: 205 18189.0792 19868.9413 5735.7153 189.6741 -332398.2551 21197.9185 0.0000 0.0000 44690.7148 -222526.2118 162.5725 -267216.9266 -222099.8061 162.5725 731.8534 -2447.6353 921491.4634 731.8534 -2447.6353
ENERGY: 206 20668.8903 20170.9985 5732.9811 187.6404 -332716.3434 21241.8391 0.0000 0.0000 42439.0583 -222274.9357 154.3816 -264713.9940 -222100.3398 154.3816 -230.6569 -2488.2937 921491.4634 -230.6569 -2488.2937
ENERGY: 207 21693.8032 20338.2890 5726.5434 185.3060 -333603.9791 21289.9001 0.0000 0.0000 42143.6914 -222226.4460 153.3072 -264370.1373 -222103.0933 153.3072 -1896.3479 -2585.9683 921491.4634 -1896.3479 -2585.9683
ENERGY: 208 20293.2702 20371.8903 5718.1572 182.8654 -334789.2378 21322.2410 0.0000 0.0000 44428.6271 -222472.1867 161.6191 -266900.8138 -222122.6316 161.6191 -3669.0643 -2719.7952 921491.4634 -3669.0643 -2719.7952
ENERGY: 209 19428.8170 20325.0058 5710.3389 180.5135 -335910.2413 21349.5044 0.0000 0.0000 46273.6801 -222642.3817 168.3309 -268916.0618 -222106.7902 168.3309 -5197.7274 -2836.6306 921491.4634 -5197.7274 -2836.6306
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1734 20194.2568 5705.3139 178.4614 -336615.7768 21385.1095 0.0000 0.0000 45251.4334 -222516.0284 164.6123 -267767.4617 -222108.2018 164.6123 -6091.3662 -2896.2627 921491.4634 -6091.3662 -2896.2627
ENERGY: 211 24099.1928 19985.8632 5704.9373 176.9105 -336667.8928 21415.1477 0.0000 0.0000 43031.7284 -222254.1130 156.5376 -265285.8414 -222106.8543 156.5376 -5900.2977 -2885.1010 921491.4634 -5900.2977 -2885.1010
ENERGY: 212 23739.2708 19730.8222 5710.0295 176.0352 -336013.6227 21412.5982 0.0000 0.0000 42995.1638 -222249.7028 156.4046 -265244.8666 -222104.2320 156.4046 -4424.1002 -2820.3211 921491.4634 -4424.1002 -2820.3211
ENERGY: 213 20150.2159 19524.5249 5720.1722 175.9508 -334874.6444 21380.5551 0.0000 0.0000 45418.7806 -222504.4449 165.2210 -267923.2255 -222097.3836 165.2210 -2174.3117 -2725.0841 921491.4634 -2174.3117 -2725.0841
ENERGY: 214 17315.5529 19421.7449 5733.3059 176.6827 -333645.3937 21358.4485 0.0000 0.0000 46958.4702 -222681.1886 170.8220 -269639.6589 -222093.7409 170.8220 -143.6686 -2626.0579 921491.4634 -143.6686 -2626.0579
ENERGY: 215 18210.5057 19441.9744 5746.5772 178.1492 -332787.3324 21379.5596 0.0000 0.0000 45302.6745 -222527.8918 164.7987 -267830.5663 -222091.0449 164.7987 784.0014 -2554.0368 921491.4634 784.0014 -2554.0368
ENERGY: 216 20973.4718 19522.5062 5756.9571 180.1770 -332560.1063 21436.4836 0.0000 0.0000 42442.1786 -222248.3319 154.3930 -264690.5105 -222073.6157 154.3930 420.9901 -2541.5428 921491.4634 420.9901 -2541.5428
ENERGY: 217 21778.3867 19581.4820 5762.2416 182.5517 -333010.6759 21497.2705 0.0000 0.0000 41983.6750 -222225.0684 152.7251 -264208.7434 -222064.4466 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9156 19540.0890 5761.2415 184.9927 -333856.1147 21546.6561 0.0000 0.0000 44178.6837 -222478.5362 160.7099 -266657.2198 -222068.8156 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
ENERGY: 219 19429.8639 19413.3931 5754.3577 187.2447 -334778.0708 21596.8808 0.0000 0.0000 45751.9297 -222644.4008 166.4329 -268396.3306 -222073.1721 166.4329 -4457.7331 -2810.5236 921491.4634 -4457.7331 -2810.5236
TIMING: 220 CPU: 104.711, 0.470588/step Wall: 104.711, 0.470588/step, 0.0366013 hours remaining, 3223.425781 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 220 21580.9144 19260.1135 5743.1672 189.1021 -335473.8430 21655.3184 0.0000 0.0000 44539.5738 -222505.6537 162.0227 -267045.2275 -222092.6290 162.0227 -5898.3510 -2876.6576 921491.4634 -5898.3510 -2876.6576
ENERGY: 221 24234.7391 19146.8277 5730.1601 190.4777 -335718.7273 21699.4244 0.0000 0.0000 42467.0188 -222250.0794 154.4833 -264717.0983 -222077.7837 154.4833 -6342.7096 -2884.3551 921491.4634 -6342.7096 -2884.3551
ENERGY: 222 23735.1222 19085.7307 5717.7679 191.2894 -335388.9912 21700.3076 0.0000 0.0000 42702.0389 -222256.7345 155.3383 -264958.7734 -222075.6639 155.3383 -5368.7277 -2838.7016 921491.4634 -5368.7277 -2838.7016
ENERGY: 223 20286.4335 19110.8425 5708.3528 191.5579 -334633.3912 21665.5242 0.0000 0.0000 45168.7532 -222501.9271 164.3115 -267670.6803 -222072.2458 164.3115 -3322.8075 -2753.9474 921491.4634 -3322.8075 -2753.9474
ENERGY: 224 17721.9818 19276.3016 5703.4615 191.3517 -333831.1557 21637.4893 0.0000 0.0000 46650.8780 -222649.6917 169.7031 -269300.5698 -222098.2847 169.7031 -1151.0969 -2650.6854 921491.4634 -1151.0969 -2650.6854
ENERGY: 225 18451.5610 19639.7348 5703.5482 190.8347 -333424.4647 21647.4588 0.0000 0.0000 45301.5803 -222489.7469 164.7947 -267791.3273 -222079.9380 164.7947 226.2572 -2563.9720 921491.4634 226.2572 -2563.9720
ENERGY: 226 20569.7733 20147.6374 5707.2430 190.0457 -333606.5694 21686.9380 0.0000 0.0000 43034.1676 -222270.7644 156.5465 -265304.9320 -222078.6805 156.5465 530.9031 -2526.3324 921491.4634 530.9031 -2526.3324
ENERGY: 227 21011.1676 20670.4532 5712.3895 189.0770 -334317.7221 21728.2283 0.0000 0.0000 42721.7945 -222284.6120 155.4101 -265006.4065 -222080.2098 155.4101 -104.6491 -2553.6075 921491.4634 -104.6491 -2553.6075
ENERGY: 228 19866.2928 21035.8344 5716.6482 188.0081 -335312.4267 21761.2923 0.0000 0.0000 44242.5385 -222501.8124 160.9422 -266744.3509 -222102.7893 160.9422 -1440.0183 -2625.9673 921491.4634 -1440.0183 -2625.9673
ENERGY: 229 19874.0812 21137.5587 5718.5477 187.0043 -336264.4467 21796.8119 0.0000 0.0000 44976.5836 -222573.8591 163.6124 -267550.4427 -222086.0490 163.6124 -3234.4608 -2710.7215 921491.4634 -3234.4608 -2710.7215
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 230 21999.2455 20926.2538 5717.1889 185.9786 -336838.6563 21834.6450 0.0000 0.0000 43751.0551 -222424.2894 159.1543 -266175.3445 -222088.6909 159.1543 -4902.3779 -2766.0557 921491.4634 -4902.3779 -2766.0557
ENERGY: 231 23806.6616 20470.3273 5713.0793 184.9073 -336794.0750 21849.7233 0.0000 0.0000 42506.4014 -222262.9747 154.6266 -264769.3762 -222089.4822 154.6266 -5730.6841 -2773.7615 921491.4634 -5730.6841 -2773.7615
ENERGY: 232 22812.6528 19886.6602 5707.7133 183.7520 -336072.1015 21820.0135 0.0000 0.0000 43315.5694 -222345.7402 157.5701 -265661.3096 -222098.2755 157.5701 -5301.5936 -2731.4986 921491.4634 -5301.5936 -2731.4986
ENERGY: 233 20035.6402 19318.2044 5703.4910 182.6157 -334889.2831 21760.7375 0.0000 0.0000 45350.0989 -222538.4953 164.9712 -267888.5942 -222089.6822 164.9712 -3899.2116 -2646.7387 921491.4634 -3899.2116 -2646.7387
ENERGY: 234 18553.6066 18856.0076 5702.3325 181.3395 -333642.4873 21712.9298 0.0000 0.0000 46049.0873 -222587.1840 167.5139 -268636.2713 -222086.3330 167.5139 -2187.7193 -2534.9737 921491.4634 -2187.7193 -2534.9737
ENERGY: 235 19419.0967 18603.4161 5705.8180 179.9133 -332789.1751 21702.6095 0.0000 0.0000 44750.4958 -222427.8257 162.7900 -267178.3215 -222083.1204 162.7900 -820.1737 -2429.4349 921491.4634 -820.1737 -2429.4349
ENERGY: 236 20566.0778 18629.1000 5714.2865 178.3391 -332585.8846 21721.5011 0.0000 0.0000 43477.4014 -222299.1785 158.1588 -265776.5799 -222073.0117 158.1588 -108.6482 -2371.7042 921491.4634 -108.6482 -2371.7042
ENERGY: 237 20196.0057 18940.2030 5726.8243 176.7459 -333068.3183 21749.0156 0.0000 0.0000 43898.3781 -222381.1458 159.6902 -266279.5239 -222063.3603 159.6902 -172.1587 -2373.2010 921491.4634 -172.1587 -2373.2010
ENERGY: 238 19419.4412 19404.0883 5740.6977 175.0128 -333964.3148 21778.9042 0.0000 0.0000 44901.2438 -222544.9268 163.3384 -267446.1707 -222065.9776 163.3384 -987.6012 -2425.5308 921491.4634 -987.6012 -2425.5308
ENERGY: 239 20428.8616 19846.5438 5752.8836 173.1946 -334966.8373 21816.7508 0.0000 0.0000 44416.4634 -222532.1395 161.5749 -266948.6029 -222068.9823 161.5749 -2385.1779 -2499.0794 921491.4634 -2385.1779 -2499.0794
TIMING: 240 CPU: 114.101, 0.469509/step Wall: 114.101, 0.469509/step, 0.033909 hours remaining, 3223.425781 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 240 22861.0420 20119.9133 5760.6909 171.4213 -335766.3623 21854.4252 0.0000 0.0000 42641.4776 -222357.3921 155.1180 -264998.8696 -222074.0954 155.1180 -3844.9084 -2568.3896 921491.4634 -3844.9084 -2568.3896
ENERGY: 241 23920.0052 20195.4871 5762.7124 169.9828 -336129.3250 21865.1031 0.0000 0.0000 41957.8936 -222258.1408 152.6313 -264216.0344 -222063.9160 152.6313 -4724.4491 -2616.3453 921491.4634 -4724.4491 -2616.3453
ENERGY: 242 22110.7715 20111.8207 5758.5348 169.0441 -335904.8194 21831.0566 0.0000 0.0000 43526.8721 -222396.7197 158.3388 -265923.5917 -222063.5737 158.3388 -4623.1688 -2633.0913 921491.4634 -4623.1688 -2633.0913
ENERGY: 243 19462.3620 19969.6445 5749.3614 168.8705 -335233.7067 21770.4747 0.0000 0.0000 45537.0690 -222575.9247 165.6513 -268112.9937 -222061.6675 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
ENERGY: 244 18822.2465 19849.3934 5737.4544 169.6534 -334482.6009 21720.5675 0.0000 0.0000 45629.1661 -222554.1194 165.9864 -268183.2856 -222078.7771 165.9864 -2667.7299 -2573.2150 921491.4634 -2667.7299 -2573.2150
ENERGY: 245 20148.2370 19811.7600 5725.7785 171.4559 -334087.5946 21701.2469 0.0000 0.0000 44168.5246 -222360.5918 160.6730 -266529.1164 -222068.6366 160.6730 -1771.6902 -2533.5455 921491.4634 -1771.6902 -2533.5455
ENERGY: 246 20878.5481 19853.7025 5716.8932 174.1558 -334213.1205 21705.0849 0.0000 0.0000 43600.4181 -222284.3179 158.6063 -265884.7360 -222067.4296 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5285 19979.6441 5712.7400 177.5412 -334802.1841 21719.8453 0.0000 0.0000 44912.1912 -222431.6937 163.3782 -267343.8850 -222068.1394 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4923 20164.4297 5713.8450 181.3144 -335623.1351 21746.4309 0.0000 0.0000 46185.9362 -222595.6866 168.0117 -268781.6228 -222090.3128 168.0117 -1359.1246 -2608.3066 921491.4634 -1359.1246 -2608.3066
ENERGY: 249 20484.3304 20353.6194 5719.1623 185.0800 -336433.0064 21788.9032 0.0000 0.0000 45370.8151 -222531.0960 165.0466 -267901.9111 -222082.9712 165.0466 -2308.0285 -2671.2386 921491.4634 -2308.0285 -2671.2386
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 250 23155.2056 20422.5257 5726.1009 188.5682 -336907.4407 21832.9288 0.0000 0.0000 43252.1658 -222329.9458 157.3395 -265582.1116 -222084.2879 157.3395 -3365.2095 -2722.3880 921491.4634 -3365.2095 -2722.3880
ENERGY: 251 24002.1397 20302.5996 5731.6573 191.5295 -336816.8446 21849.8671 0.0000 0.0000 42475.2392 -222263.8121 154.5132 -264739.0513 -222084.8990 154.5132 -3958.0338 -2753.0723 921491.4634 -3958.0338 -2753.0723
ENERGY: 252 21994.9040 20013.1599 5733.2541 193.8023 -336093.2676 21826.9294 0.0000 0.0000 43905.3721 -222425.8458 159.7157 -266331.2179 -222091.3307 159.7157 -3843.4682 -2758.0339 921491.4634 -3843.4682 -2758.0339
ENERGY: 253 19499.8637 19667.1122 5729.5496 195.2411 -334977.1806 21784.0535 0.0000 0.0000 45520.0192 -222581.3413 165.5893 -268101.3606 -222082.7207 165.5893 -3300.1274 -2735.8132 921491.4634 -3300.1274 -2735.8132
ENERGY: 254 19073.0883 19348.2296 5720.5008 195.9622 -333839.8798 21752.6523 0.0000 0.0000 45220.9194 -222528.5273 164.5013 -267749.4468 -222080.4688 164.5013 -2707.1338 -2696.1701 921491.4634 -2707.1338 -2696.1701
ENERGY: 255 20324.2312 19109.4102 5707.6062 196.0620 -333099.9233 21746.1514 0.0000 0.0000 43667.4211 -222349.0412 158.8501 -266016.4623 -222078.3977 158.8501 -2282.5426 -2662.7815 921491.4634 -2282.5426 -2662.7815
ENERGY: 256 20899.4409 18950.9578 5693.4518 195.6570 -332975.5972 21757.6846 0.0000 0.0000 43181.1612 -222297.2439 157.0812 -265478.4051 -222071.2740 157.0812 -2042.2410 -2664.5199 921491.4634 -2042.2410 -2664.5199
ENERGY: 257 20029.5652 18878.1873 5681.1759 194.7976 -333481.0039 21780.2418 0.0000 0.0000 44488.5469 -222428.4892 161.8371 -266917.0361 -222060.1685 161.8371 -2035.5363 -2692.1442 921491.4634 -2035.5363 -2692.1442
ENERGY: 258 19453.5866 18882.0666 5673.2911 193.6684 -334373.1544 21817.5076 0.0000 0.0000 45796.2578 -222556.7763 166.5942 -268353.0341 -222062.0609 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
ENERGY: 259 20717.7708 18984.1028 5671.3007 192.3773 -335369.5276 21871.0065 0.0000 0.0000 45431.1554 -222501.8140 165.2661 -267932.9694 -222063.7307 165.2661 -2890.3670 -2780.4961 921491.4634 -2890.3670 -2780.4961
TIMING: 260 CPU: 123.491, 0.469478/step Wall: 123.491, 0.469478/step, 0.0312986 hours remaining, 3223.730469 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 260 22744.9542 19188.2461 5675.1875 191.0393 -336169.7727 21924.7892 0.0000 0.0000 44083.4305 -222362.1258 160.3634 -266445.5563 -222069.6814 160.3634 -3407.4793 -2810.9878 921491.4634 -3407.4793 -2810.9878
ENERGY: 261 23215.5571 19485.4654 5683.6413 189.7700 -336523.9799 21953.3901 0.0000 0.0000 43676.0234 -222320.1325 158.8814 -265996.1559 -222052.8238 158.8814 -3555.3694 -2822.8648 921491.4634 -3555.3694 -2822.8648
ENERGY: 262 21606.2723 19814.6776 5694.0656 188.7122 -336291.7858 21947.6073 0.0000 0.0000 44601.6347 -222438.8162 162.2485 -267040.4509 -222052.4324 162.2485 -3214.7560 -2810.4637 921491.4634 -3214.7560 -2810.4637
ENERGY: 263 19781.1228 20140.5621 5703.8103 187.9445 -335614.9713 21924.4739 0.0000 0.0000 45349.7771 -222527.2806 164.9700 -267877.0576 -222051.1549 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2261 20436.4305 5710.6950 187.5052 -334855.9511 21907.7771 0.0000 0.0000 44751.4783 -222476.8390 162.7936 -267228.3172 -222069.1984 162.7936 -2191.1927 -2723.5294 921491.4634 -2191.1927 -2723.5294
ENERGY: 265 19946.8416 20681.9925 5713.6241 187.4392 -334395.6632 21906.0162 0.0000 0.0000 43607.6373 -222352.1122 158.6326 -265959.7495 -222054.3373 158.6326 -2038.0574 -2683.6035 921491.4634 -2038.0574 -2683.6035
ENERGY: 266 20048.7898 20788.8700 5712.1327 187.6137 -334399.4577 21914.4804 0.0000 0.0000 43399.3797 -222348.1913 157.8750 -265747.5710 -222054.3636 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0904 20691.2678 5707.0583 187.8501 -334831.4855 21930.8373 0.0000 0.0000 44220.2169 -222446.1647 160.8610 -266666.3816 -222055.6586 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9160 20375.7516 5700.1930 187.9286 -335513.7449 21959.1256 0.0000 0.0000 44823.5376 -222504.2925 163.0557 -267327.8301 -222075.9876 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -2658.6181
ENERGY: 269 21396.7812 19927.1702 5694.0390 187.7640 -336221.0660 21997.2159 0.0000 0.0000 44586.5098 -222431.5859 162.1935 -267018.0957 -222066.1974 162.1935 -3401.4128 -2647.2950 921491.4634 -3401.4128 -2647.2950
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1931 19450.9167 5690.3173 187.1618 -336650.6773 22028.8069 0.0000 0.0000 44308.0074 -222365.2739 161.1804 -266673.2814 -222067.0435 161.1804 -3583.3633 -2617.7583 921491.4634 -3583.3633 -2617.7583
ENERGY: 271 22345.5821 19078.8065 5690.0209 186.1610 -336571.7890 22035.2500 0.0000 0.0000 44829.4473 -222406.5213 163.0772 -267235.9685 -222066.8387 163.0772 -3261.2174 -2569.2622 921491.4634 -3261.2174 -2569.2622
ENERGY: 272 21021.5583 18896.0661 5692.8269 184.9335 -335921.4612 22015.0579 0.0000 0.0000 45607.7076 -222503.3110 165.9083 -268111.0186 -222081.1572 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2136 18932.9080 5697.5118 183.8526 -334925.7010 21985.5295 0.0000 0.0000 45502.7159 -222499.9695 165.5264 -268002.6855 -222069.0459 165.5264 -1837.1975 -2434.6760 921491.4634 -1837.1975 -2434.6760
ENERGY: 274 20074.7417 19121.4862 5701.6806 183.0070 -333931.6255 21965.2975 0.0000 0.0000 44478.5174 -222406.8952 161.8006 -266885.4125 -222066.8028 161.8006 -1366.5213 -2384.6634 921491.4634 -1366.5213 -2384.6634
ENERGY: 275 20005.4317 19374.0680 5703.3424 182.5376 -333318.5601 21960.8298 0.0000 0.0000 43741.9682 -222350.3824 159.1213 -266092.3506 -222065.7692 159.1213 -1269.7931 -2374.8868 921491.4634 -1269.7931 -2374.8868
ENERGY: 276 19401.8501 19594.7507 5701.2547 182.4904 -333292.1280 21971.0409 0.0000 0.0000 44028.5272 -222412.2141 160.1637 -266440.7413 -222072.9396 160.1637 -1580.1300 -2417.6040 921491.4634 -1580.1300 -2417.6040
ENERGY: 277 19149.2971 19724.7159 5695.5210 182.9396 -333864.3451 21997.2386 0.0000 0.0000 44632.8111 -222481.8219 162.3619 -267114.6330 -222061.0989 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4577 19713.7758 5686.9122 183.6585 -334821.1001 22041.3358 0.0000 0.0000 44532.2539 -222463.7062 161.9961 -266995.9601 -222063.4132 161.9961 -3254.8156 -2593.7696 921491.4634 -3254.8156 -2593.7696
ENERGY: 279 21984.3649 19593.9429 5677.5176 184.5187 -335888.5798 22096.4198 0.0000 0.0000 43975.0879 -222376.7280 159.9693 -266351.8159 -222065.2025 159.9693 -4044.3212 -2682.8389 921491.4634 -4044.3212 -2682.8389
TIMING: 280 CPU: 132.865, 0.468695/step Wall: 132.865, 0.468695/step, 0.0286425 hours remaining, 3223.730469 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 280 22859.3229 19458.4365 5670.0026 185.3899 -336752.6631 22145.1353 0.0000 0.0000 44066.7338 -222367.6420 160.3027 -266434.3758 -222073.4248 160.3027 -4286.3893 -2748.0546 921491.4634 -4286.3893 -2748.0546
ENERGY: 281 22172.5958 19445.1182 5667.0588 186.2206 -337154.6802 22172.1191 0.0000 0.0000 45063.2423 -222448.3254 163.9277 -267511.5677 -222064.8520 163.9277 -3881.2951 -2782.5902 921491.4634 -3881.2951 -2782.5902
ENERGY: 282 20943.7898 19615.5378 5669.9796 186.8360 -336942.5034 22176.7653 0.0000 0.0000 45823.3370 -222526.2579 166.6927 -268349.5948 -222063.3317 166.6927 -2992.3272 -2779.3668 921491.4634 -2992.3272 -2779.3668
ENERGY: 283 20432.1062 19966.6614 5678.8137 187.1634 -336251.9201 22171.0647 0.0000 0.0000 45328.8519 -222487.2588 164.8939 -267816.1106 -222060.8461 164.8939 -2008.7737 -2748.2307 921491.4634 -2008.7737 -2748.2307
ENERGY: 284 20506.4000 20401.8822 5692.0830 187.1346 -335412.6300 22166.2909 0.0000 0.0000 44071.4479 -222387.3914 160.3198 -266458.8393 -222061.5540 160.3198 -1267.2792 -2712.3902 921491.4634 -1267.2792 -2712.3902
ENERGY: 285 20203.3288 20789.9629 5707.3565 186.7145 -334827.1965 22167.0165 0.0000 0.0000 43418.2630 -222354.5545 157.9437 -265772.8175 -222053.5967 157.9437 -1010.8439 -2700.0820 921491.4634 -1010.8439 -2700.0820
ENERGY: 286 19396.6309 20966.5622 5721.5031 185.8230 -334658.1148 22176.6862 0.0000 0.0000 43785.6882 -222425.2212 159.2803 -266210.9094 -222054.0582 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1190 20856.7823 5731.9346 184.4714 -334918.1478 22200.2909 0.0000 0.0000 44282.9437 -222485.6059 161.0892 -266768.5496 -222055.7253 161.0892 -2148.9613 -2753.3344 921491.4634 -2148.9613 -2753.3344
ENERGY: 288 20263.2088 20475.2851 5736.9557 182.7335 -335468.3147 22237.9036 0.0000 0.0000 44116.9903 -222455.2376 160.4855 -266572.2279 -222066.9054 160.4855 -3310.5879 -2790.1554 921491.4634 -3310.5879 -2790.1554
ENERGY: 289 21886.4834 19928.6978 5736.1905 180.7560 -336126.9120 22279.0689 0.0000 0.0000 43733.4512 -222382.2642 159.0903 -266115.7154 -222062.2725 159.0903 -4368.9814 -2809.8750 921491.4634 -4368.9814 -2809.8750
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 290 22615.9843 19325.5265 5730.3279 178.6973 -336571.4572 22308.2173 0.0000 0.0000 44027.4234 -222385.2803 160.1597 -266412.7038 -222063.4685 160.1597 -4815.3286 -2796.0390 921491.4634 -4815.3286 -2796.0390
ENERGY: 291 22115.7701 18802.2909 5721.4122 176.7646 -336554.3555 22315.5629 0.0000 0.0000 44963.0865 -222459.4684 163.5634 -267422.5549 -222063.1775 163.5634 -4450.6673 -2738.1108 921491.4634 -4450.6673 -2738.1108
ENERGY: 292 21262.5910 18472.4016 5712.2431 175.1751 -335987.2698 22302.8783 0.0000 0.0000 45560.3452 -222501.6356 165.7360 -268061.9809 -222072.5163 165.7360 -3435.4156 -2639.3512 921491.4634 -3435.4156 -2639.3512
ENERGY: 293 20783.4663 18411.7342 5705.7252 174.1484 -335092.9705 22279.1180 0.0000 0.0000 45283.4158 -222455.3626 164.7286 -267738.7784 -222061.5456 164.7286 -2166.7337 -2517.2545 921491.4634 -2166.7337 -2517.2545
ENERGY: 294 20398.6130 18589.6436 5703.5791 173.8101 -334179.1786 22254.0798 0.0000 0.0000 44662.2336 -222397.2194 162.4689 -267059.4531 -222058.8852 162.4689 -1006.6043 -2405.5593 921491.4634 -1006.6043 -2405.5593
ENERGY: 295 19706.6742 18924.3582 5706.2255 174.2141 -333602.5015 22236.6567 0.0000 0.0000 44449.5912 -222404.7816 161.6954 -266854.3728 -222057.5862 161.6954 -311.5567 -2335.1539 921491.4634 -311.5567 -2335.1539
ENERGY: 296 19122.8991 19301.4532 5712.5929 175.3096 -333576.4725 22236.1188 0.0000 0.0000 44573.6030 -222454.4960 162.1465 -267028.0990 -222067.3939 162.1465 -347.2084 -2322.9740 921491.4634 -347.2084 -2322.9740
ENERGY: 297 19439.7489 19641.8017 5720.7182 176.9777 -334148.9752 22258.2523 0.0000 0.0000 44466.2678 -222445.2087 161.7561 -266911.4765 -222050.8188 161.7561 -1189.5387 -2359.0875 921491.4634 -1189.5387 -2359.0875
ENERGY: 298 20578.5046 19886.6664 5727.8935 178.9488 -335137.5237 22299.1409 0.0000 0.0000 44067.5344 -222398.8351 160.3056 -266466.3695 -222053.6276 160.3056 -2519.0813 -2427.9309 921491.4634 -2519.0813 -2427.9309
ENERGY: 299 21598.9655 20050.9660 5731.9440 180.9390 -336266.8202 22346.0656 0.0000 0.0000 43977.6322 -222380.3079 159.9785 -266357.9401 -222056.3729 159.9785 -3820.1263 -2506.2688 921491.4634 -3820.1263 -2506.2688
LDB: ============= START OF LOAD BALANCING ============== 148.197
LDB: Largest compute 200 load 0.518682 is 1.1% of average load 45.765580
LDB: Average compute 0.064095 is 0.1% of average load 45.765580
LDB: TIME 148.199 LOAD: AVG 45.7656 MAX 46.9574 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.08 MB
LDB: TIME 148.199 LOAD: AVG 45.7656 MAX 46.9574 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.08 MB
LDB: TIME 148.215 LOAD: AVG 45.7656 MAX 46.2868 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.08 MB
LDB: ============== END OF LOAD BALANCING =============== 148.216
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.217
Info: Initial time: 4 CPUs 0.469311 s/step 5.43184 days/ns 3224.08 MB memory
TIMING: 300 CPU: 142.251, 0.469326/step Wall: 142.251, 0.469326/step, 0.0260737 hours remaining, 3224.082031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 300 21869.9881 20174.1889 5731.6694 182.6816 -337209.9029 22385.4778 0.0000 0.0000 44423.7998 -222442.0973 161.6016 -266865.8971 -222076.5869 161.6016 -4600.9408 -2563.6019 921491.4634 -4600.9408 -2563.6019
ENERGY: 301 21754.7697 20299.7852 5727.3852 184.0330 -337665.0999 22409.6625 0.0000 0.0000 44817.7468 -222471.7175 163.0346 -267289.4643 -222059.2469 163.0346 -4657.8464 -2584.2293 921491.4634 -4657.8464 -2584.2293
ENERGY: 302 21723.0648 20395.7908 5720.2599 184.8676 -337483.0152 22416.9290 0.0000 0.0000 44599.2670 -222442.8361 162.2399 -267042.1031 -222057.3400 162.2399 -3958.8649 -2554.2736 921491.4634 -3958.8649 -2554.2736
ENERGY: 303 21512.5330 20430.0801 5712.5286 185.2198 -336784.9550 22409.2047 0.0000 0.0000 44154.6909 -222380.6979 160.6226 -266535.3889 -222054.2088 160.6226 -2717.2720 -2487.9822 921491.4634 -2717.2720 -2487.9822
ENERGY: 304 20579.5057 20379.6045 5706.6112 185.2163 -335895.7345 22392.3086 0.0000 0.0000 44259.5532 -222392.9351 161.0041 -266652.4883 -222063.7238 161.0041 -1310.8211 -2411.5372 921491.4634 -1310.8211 -2411.5372
ENERGY: 305 19294.2488 20267.1926 5704.5649 185.0761 -335184.3677 22377.9874 0.0000 0.0000 44903.5552 -222451.7427 163.3468 -267355.2979 -222049.0630 163.3468 -285.4666 -2359.8440 921491.4634 -285.4666 -2359.8440
ENERGY: 306 18813.6233 20091.4461 5706.8791 184.8700 -334861.4713 22380.1168 0.0000 0.0000 45195.6070 -222488.9289 164.4092 -267684.5359 -222048.9454 164.4092 -34.4475 -2342.9901 921491.4634 -34.4475 -2342.9901
ENERGY: 307 19699.8290 19880.2870 5712.8835 184.6555 -334994.2778 22404.6077 0.0000 0.0000 44676.1362 -222435.8789 162.5195 -267112.0151 -222050.4565 162.5195 -686.7124 -2362.0196 921491.4634 -686.7124 -2362.0196
ENERGY: 308 21066.5787 19666.1168 5720.7564 184.4262 -335495.7176 22443.3088 0.0000 0.0000 44039.4393 -222375.0914 160.2034 -266414.5307 -222060.2284 160.2034 -1960.6041 -2406.6007 921491.4634 -1960.6041 -2406.6007
ENERGY: 309 21696.0233 19507.1879 5728.2464 184.2113 -336171.4695 22480.8019 0.0000 0.0000 44190.3408 -222384.6580 160.7523 -266574.9988 -222050.0297 160.7523 -3383.0055 -2467.8899 921491.4634 -3383.0055 -2467.8899
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 310 21508.7273 19421.0238 5732.7586 183.9063 -336693.8608 22505.8454 0.0000 0.0000 44871.0066 -222470.5927 163.2284 -267341.5993 -222052.4941 163.2284 -4424.6315 -2515.2223 921491.4634 -4424.6315 -2515.2223
ENERGY: 311 21459.6723 19421.2607 5732.5580 183.4896 -336798.7865 22515.0558 0.0000 0.0000 44986.9607 -222499.7895 163.6502 -267486.7502 -222053.3071 163.6502 -4795.7696 -2523.0993 921491.4634 -4795.7696 -2523.0993
ENERGY: 312 21894.2739 19475.0867 5727.0398 182.9545 -336390.8676 22507.7147 0.0000 0.0000 44171.5547 -222432.2432 160.6840 -266603.7980 -222064.5094 160.6840 -4390.5736 -2479.7746 921491.4634 -4390.5736 -2479.7746
ENERGY: 313 21935.6985 19529.7470 5717.1323 182.3602 -335633.4774 22483.0128 0.0000 0.0000 43439.9887 -222345.5379 158.0227 -265785.5266 -222050.9856 158.0227 -3324.4416 -2406.1160 921491.4634 -3324.4416 -2406.1160
ENERGY: 314 20774.0373 19507.1856 5704.6248 181.6523 -334801.1004 22445.5162 0.0000 0.0000 43813.5135 -222374.5707 159.3815 -266188.0842 -222048.2693 159.3815 -1862.2383 -2326.9767 921491.4634 -1862.2383 -2326.9767
ENERGY: 315 19161.1203 19408.2595 5692.2116 180.8666 -334233.4701 22410.8356 0.0000 0.0000 44907.4428 -222472.7338 163.3609 -267380.1765 -222046.1399 163.3609 -549.3942 -2270.2360 921491.4634 -549.3942 -2270.2360
ENERGY: 316 18669.4292 19303.6207 5682.5271 180.0732 -334172.3640 22398.3987 0.0000 0.0000 45428.4347 -222509.8805 165.2562 -267938.3152 -222062.0709 165.2562 64.5862 -2251.8059 921491.4634 64.5862 -2251.8059
ENERGY: 317 19739.5966 19309.4452 5677.5265 179.4130 -334705.9334 22416.0667 0.0000 0.0000 44959.2153 -222424.6701 163.5493 -267383.8854 -222046.6268 163.5493 -296.1488 -2282.4174 921491.4634 -296.1488 -2282.4174
ENERGY: 318 21109.3875 19471.3043 5677.4840 178.9393 -335675.6972 22454.1807 0.0000 0.0000 44425.4198 -222358.9816 161.6075 -266784.4015 -222048.7804 161.6075 -1378.4199 -2356.1402 921491.4634 -1378.4199 -2356.1402
ENERGY: 319 21567.4383 19787.0343 5681.4413 178.7485 -336801.6065 22496.5472 0.0000 0.0000 44691.1807 -222399.2161 162.5742 -267090.3969 -222051.9249 162.5742 -2725.8797 -2457.2026 921491.4634 -2725.8797 -2457.2026
TIMING: 320 CPU: 151.476, 0.461217/step Wall: 151.476, 0.461217/step, 0.0230609 hours remaining, 3224.082031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 320 21393.3835 20196.2691 5687.3971 178.9168 -337738.1157 22532.5473 0.0000 0.0000 45250.4877 -222499.1143 164.6088 -267749.6019 -222076.2069 164.6088 -3895.6022 -2553.5002 921491.4634 -3895.6022 -2553.5002
ENERGY: 321 21615.1674 20628.0218 5693.0806 179.5146 -338181.7101 22557.3344 0.0000 0.0000 45018.7806 -222489.8108 163.7660 -267508.5914 -222064.2786 163.7660 -4609.2360 -2621.5363 921491.4634 -4609.2360 -2621.5363
ENERGY: 322 22179.0070 20957.0456 5696.1855 180.4970 -337965.9627 22565.0701 0.0000 0.0000 43989.5240 -222398.6335 160.0218 -266388.1575 -222063.6574 160.0218 -4596.8831 -2640.5013 921491.4634 -4596.8831 -2640.5013
ENERGY: 323 21976.7007 21085.8079 5695.4506 181.8003 -337194.0743 22550.8101 0.0000 0.0000 43361.4904 -222342.0144 157.7372 -265703.5048 -222061.4463 157.7372 -3808.3607 -2616.6944 921491.4634 -3808.3607 -2616.6944
ENERGY: 324 20558.5069 20952.0213 5690.8582 183.3007 -336170.3975 22520.5739 0.0000 0.0000 43857.2502 -222407.8864 159.5406 -266265.1366 -222068.7483 159.5406 -2506.6901 -2573.6931 921491.4634 -2506.6901 -2573.6931
ENERGY: 325 19096.1752 20584.7377 5683.7433 184.8441 -335297.0512 22494.0542 0.0000 0.0000 44763.3956 -222490.1011 162.8369 -267253.4967 -222060.9513 162.8369 -1264.0245 -2529.6546 921491.4634 -1264.0245 -2529.6546
ENERGY: 326 18959.6361 20052.8003 5675.9627 186.2078 -334820.0102 22490.4167 0.0000 0.0000 44971.8224 -222483.1643 163.5951 -267454.9867 -222059.6110 163.5951 -572.2142 -2503.0559 921491.4634 -572.2142 -2503.0559
ENERGY: 327 20020.7820 19506.2794 5669.7116 187.2139 -334851.2528 22513.0143 0.0000 0.0000 44550.7426 -222403.5090 162.0634 -266954.2516 -222059.8761 162.0634 -657.4991 -2506.5014 921491.4634 -657.4991 -2506.5014
ENERGY: 328 20934.1978 19092.0091 5666.7484 187.7399 -335303.4711 22549.7451 0.0000 0.0000 44493.2357 -222379.7951 161.8542 -266873.0308 -222061.7262 161.8542 -1393.2039 -2547.3520 921491.4634 -1393.2039 -2547.3520
ENERGY: 329 21066.6664 18910.0876 5668.0552 187.7546 -335996.4128 22586.9564 0.0000 0.0000 45124.3166 -222452.5758 164.1499 -267576.8925 -222059.3370 164.1499 -2499.2291 -2610.9954 921491.4634 -2499.2291 -2610.9954
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 330 21142.6834 18933.5042 5673.1988 187.2569 -336566.3119 22617.7578 0.0000 0.0000 45495.0147 -222516.8961 165.4984 -268011.9108 -222062.1154 165.4984 -3602.9591 -2673.3214 921491.4634 -3602.9591 -2673.3214
ENERGY: 331 21864.6856 19091.0590 5680.9136 186.3262 -336735.1754 22637.2714 0.0000 0.0000 44806.2164 -222468.7032 162.9927 -267274.9197 -222063.3975 162.9927 -4373.7650 -2707.8813 921491.4634 -4373.7650 -2707.8813
ENERGY: 332 22513.8608 19292.8539 5689.3391 185.0892 -336383.5022 22636.4043 0.0000 0.0000 43697.6287 -222368.3262 158.9600 -266065.9549 -222061.8461 158.9600 -4514.5072 -2704.7031 921491.4634 -4514.5072 -2704.7031
ENERGY: 333 21854.9976 19482.7896 5696.6505 183.7309 -335681.4584 22608.9729 0.0000 0.0000 43501.2421 -222353.0749 158.2456 -265854.3170 -222052.0753 158.2456 -3943.3088 -2666.2162 921491.4634 -3943.3088 -2666.2162
ENERGY: 334 20023.4850 19603.2613 5701.0454 182.3864 -334880.5303 22564.8641 0.0000 0.0000 44357.3055 -222448.1826 161.3597 -266805.4881 -222049.6961 161.3597 -2855.3039 -2607.1877 921491.4634 -2855.3039 -2607.1877
ENERGY: 335 18726.9584 19647.0447 5701.6423 181.1975 -334325.9457 22528.7344 0.0000 0.0000 45026.6268 -222513.7415 163.7945 -267540.3683 -222047.5433 163.7945 -1753.1270 -2542.6965 921491.4634 -1753.1270 -2542.6965
ENERGY: 336 19127.9134 19639.0994 5698.6021 180.2744 -334271.7859 22519.6997 0.0000 0.0000 44649.6651 -222456.5317 162.4232 -267106.1968 -222055.6203 162.4232 -1093.5005 -2488.8703 921491.4634 -1093.5005 -2488.8703
ENERGY: 337 20420.1633 19649.7063 5693.3319 179.7347 -334824.3561 22536.4222 0.0000 0.0000 43995.6000 -222349.3978 160.0439 -266344.9978 -222040.1027 160.0439 -1064.7183 -2460.5860 921491.4634 -1064.7183 -2460.5860
ENERGY: 338 21007.5745 19722.4643 5687.5590 179.5437 -335808.8624 22564.1944 0.0000 0.0000 44285.9175 -222361.6090 161.1000 -266647.5265 -222041.5960 161.1000 -1500.9498 -2462.8576 921491.4634 -1500.9498 -2462.8576
ENERGY: 339 20742.6009 19892.4865 5683.2969 179.6501 -336924.5164 22593.0217 0.0000 0.0000 45359.3481 -222474.1121 165.0048 -267833.4603 -222043.8632 165.0048 -2199.9376 -2485.1216 921491.4634 -2199.9376 -2485.1216
TIMING: 340 CPU: 160.696, 0.461017/step Wall: 160.696, 0.461017/step, 0.0204896 hours remaining, 3224.082031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 340 20898.6068 20139.5373 5681.9995 179.9655 -337821.3684 22621.7136 0.0000 0.0000 45758.5731 -222540.9726 166.4571 -268299.5457 -222070.3954 166.4571 -2966.9710 -2503.9486 921491.4634 -2966.9710 -2503.9486
ENERGY: 341 22051.8628 20407.8963 5684.3134 180.4786 -338209.1669 22646.3198 0.0000 0.0000 44797.5822 -222440.7138 162.9613 -267238.2960 -222054.5349 162.9613 -3585.3815 -2498.5443 921491.4634 -3585.3815 -2498.5443
ENERGY: 342 22895.9216 20582.1011 5689.2420 181.0293 -337942.4478 22653.2571 0.0000 0.0000 43612.4992 -222328.3976 158.6503 -265940.8968 -222054.3603 158.6503 -3711.7549 -2460.9856 921491.4634 -3711.7549 -2460.9856
ENERGY: 343 21993.5596 20596.8906 5695.1198 181.5548 -337132.3422 22633.1272 0.0000 0.0000 43686.5578 -222345.5323 158.9197 -266032.0901 -222053.2449 158.9197 -3217.8265 -2399.3477 921491.4634 -3217.8265 -2399.3477
ENERGY: 344 19898.5080 20447.2067 5699.9573 182.0106 -336095.2679 22596.5928 0.0000 0.0000 44790.9367 -222480.0559 162.9371 -267270.9926 -222071.3577 162.9371 -2338.1161 -2329.7492 921491.4634 -2338.1161 -2329.7492
ENERGY: 345 18694.7358 20199.0882 5702.3270 182.4513 -335224.1276 22568.7536 0.0000 0.0000 45351.4662 -222525.3054 164.9762 -267876.7717 -222058.0554 164.9762 -1576.2390 -2261.7960 921491.4634 -1576.2390 -2261.7960
ENERGY: 346 19350.9889 19892.9542 5701.0894 182.7368 -334783.0721 22565.1336 0.0000 0.0000 44652.5020 -222437.6672 162.4335 -267090.1691 -222056.8255 162.4335 -1239.3021 -2211.7781 921491.4634 -1239.3021 -2211.7781
ENERGY: 347 20669.8294 19583.9410 5696.3950 182.8447 -334881.4384 22581.1981 0.0000 0.0000 43831.1328 -222336.0974 159.4456 -266167.2302 -222056.9472 159.4456 -1358.8145 -2194.9212 921491.4634 -1358.8145 -2194.9212
ENERGY: 348 21062.2470 19315.9903 5689.3479 182.7918 -335425.6669 22604.2200 0.0000 0.0000 44195.9877 -222375.0822 160.7729 -266571.0698 -222064.0949 160.7729 -1766.2766 -2218.9158 921491.4634 -1766.2766 -2218.9158
ENERGY: 349 20718.9514 19143.3231 5681.9008 182.6959 -336197.3784 22630.4374 0.0000 0.0000 45349.6296 -222490.4402 164.9695 -267840.0698 -222056.3111 164.9695 -2336.6407 -2270.6250 921491.4634 -2336.6407 -2270.6250
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 350 21009.3452 19066.8675 5675.7227 182.5405 -336836.8357 22661.9754 0.0000 0.0000 45710.0736 -222530.3108 166.2807 -268240.3844 -222058.0878 166.2807 -2896.5510 -2326.8868 921491.4634 -2896.5510 -2326.8868
ENERGY: 351 22235.3182 19085.8713 5672.3994 182.3761 -337072.3450 22693.2957 0.0000 0.0000 44770.4137 -222432.6706 162.8625 -267203.0843 -222058.6358 162.8625 -3254.0188 -2369.0508 921491.4634 -3254.0188 -2369.0508
ENERGY: 352 22912.9251 19180.1281 5672.7330 182.2243 -336794.7858 22708.6919 0.0000 0.0000 43795.3993 -222342.6841 159.3156 -266138.0834 -222059.3897 159.3156 -3190.0138 -2394.0290 921491.4634 -3190.0138 -2394.0290
ENERGY: 353 21825.9776 19344.0936 5676.6445 182.1014 -336147.6550 22699.4232 0.0000 0.0000 44043.1857 -222376.2290 160.2170 -266419.4147 -222047.6762 160.2170 -2709.1542 -2407.4663 921491.4634 -2709.1542 -2407.4663
ENERGY: 354 19814.0381 19544.5091 5682.7361 181.9868 -335375.1823 22676.8666 0.0000 0.0000 44983.0758 -222491.9698 163.6361 -267475.0456 -222046.2241 163.6361 -2040.9898 -2415.4741 921491.4634 -2040.9898 -2415.4741
ENERGY: 355 18879.8417 19773.7509 5689.2466 181.9196 -334823.9955 22664.4420 0.0000 0.0000 45120.2678 -222514.5270 164.1351 -267634.7947 -222044.8381 164.1351 -1600.3168 -2424.6826 921491.4634 -1600.3168 -2424.6826
ENERGY: 356 19622.4370 20015.8110 5694.4280 181.9402 -334758.7690 22674.4078 0.0000 0.0000 44153.0884 -222416.6565 160.6168 -266569.7449 -222053.0962 160.6168 -1622.0261 -2446.8265 921491.4634 -1622.0261 -2446.8265
ENERGY: 357 20687.2710 20255.1057 5697.1708 182.0215 -335288.0644 22700.2947 0.0000 0.0000 43438.0176 -222328.1830 158.0156 -265766.2006 -222042.2330 158.0156 -2061.3605 -2486.6662 921491.4634 -2061.3605 -2486.6662
ENERGY: 358 20785.4065 20424.8431 5696.9833 182.1295 -336225.9478 22730.2418 0.0000 0.0000 44019.5821 -222386.7616 160.1311 -266406.3437 -222043.9945 160.1311 -2636.8579 -2541.3592 921491.4634 -2636.8579 -2541.3592
ENERGY: 359 20493.6440 20484.4986 5694.4425 182.1894 -337270.5928 22762.0667 0.0000 0.0000 45152.8977 -222500.8540 164.2538 -267653.7517 -222046.1001 164.2538 -3161.2176 -2593.4281 921491.4634 -3161.2176 -2593.4281
TIMING: 360 CPU: 169.909, 0.460646/step Wall: 169.909, 0.460646/step, 0.017914 hours remaining, 3224.082031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 360 21112.5812 20418.0335 5690.9152 182.1442 -338077.5510 22797.1676 0.0000 0.0000 45362.4567 -222514.2525 165.0162 -267876.7093 -222065.3878 165.0162 -3505.9504 -2622.8572 921491.4634 -3505.9504 -2622.8572
ENERGY: 361 22462.8276 20259.6926 5688.3191 181.9496 -338397.1528 22827.2220 0.0000 0.0000 44580.8520 -222396.2899 162.1729 -266977.1419 -222052.4542 162.1729 -3542.5444 -2618.5020 921491.4634 -3542.5444 -2618.5020
ENERGY: 362 22808.6003 20031.2790 5688.3204 181.6679 -338079.7615 22835.7525 0.0000 0.0000 44200.9552 -222333.1863 160.7909 -266534.1415 -222051.2758 160.7909 -3087.0698 -2583.1906 921491.4634 -3087.0698 -2583.1906
ENERGY: 363 21303.6021 19794.1188 5692.1162 181.3427 -337235.0092 22818.0651 0.0000 0.0000 45033.6627 -222412.1016 163.8201 -267445.7643 -222049.5302 163.8201 -2242.6820 -2529.7065 921491.4634 -2242.6820 -2529.7065
ENERGY: 364 19323.8976 19612.6014 5699.8913 181.0103 -336175.1999 22790.5193 0.0000 0.0000 46034.3488 -222532.9313 167.4603 -268567.2801 -222068.5918 167.4603 -1420.0425 -2476.3756 921491.4634 -1420.0425 -2476.3756
ENERGY: 365 18830.5840 19548.3420 5710.7558 180.6857 -335316.0969 22775.7830 0.0000 0.0000 45760.0887 -222509.8577 166.4626 -268269.9464 -222057.4403 166.4626 -1100.2606 -2433.4822 921491.4634 -1100.2606 -2433.4822
ENERGY: 366 19854.2637 19578.5648 5722.5902 180.3919 -334923.1928 22780.3502 0.0000 0.0000 44422.2470 -222384.7849 161.5959 -266807.0319 -222057.2777 161.5959 -1392.6924 -2417.6862 921491.4634 -1392.6924 -2417.6862
ENERGY: 367 20741.0594 19662.8834 5732.9484 180.1165 -335098.3157 22794.3494 0.0000 0.0000 43662.6185 -222324.3401 158.8326 -265986.9585 -222058.3714 158.8326 -2104.1271 -2437.9268 921491.4634 -2104.1271 -2437.9268
ENERGY: 368 20561.5936 19748.2119 5739.6691 179.8275 -335728.0877 22808.6652 0.0000 0.0000 44272.8407 -222417.2796 161.0524 -266690.1203 -222068.2915 161.0524 -2928.4885 -2487.3070 921491.4634 -2928.4885 -2487.3070
ENERGY: 369 20346.9678 19812.6205 5741.6369 179.5048 -336580.3312 22825.3359 0.0000 0.0000 45155.6309 -222518.6343 164.2638 -267674.2652 -222061.1004 164.2638 -3666.9890 -2542.4574 921491.4634 -3666.9890 -2542.4574
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 370 21302.3707 19815.7282 5738.6028 179.1429 -337296.0561 22846.3050 0.0000 0.0000 44920.4945 -222493.4119 163.4084 -267413.9064 -222062.2629 163.4084 -4081.4436 -2576.8190 921491.4634 -4081.4436 -2576.8190
ENERGY: 371 22799.2773 19758.4807 5731.5881 178.8004 -337606.4378 22861.3511 0.0000 0.0000 43904.8964 -222372.0437 159.7139 -266276.9400 -222061.9342 159.7139 -3956.1481 -2578.2818 921491.4634 -3956.1481 -2578.2818
ENERGY: 372 22964.3598 19665.2850 5722.4283 178.5955 -337391.7877 22854.0838 0.0000 0.0000 43672.6559 -222334.3793 158.8691 -266007.0352 -222060.3197 158.8691 -3189.3382 -2552.6173 921491.4634 -3189.3382 -2552.6173
ENERGY: 373 21253.1598 19603.3417 5713.4759 178.7080 -336784.3121 22822.4882 0.0000 0.0000 44782.9954 -222430.1430 162.9082 -267213.1384 -222050.3116 162.9082 -2037.0650 -2511.6656 921491.4634 -2037.0650 -2511.6656
ENERGY: 374 19285.9367 19613.0721 5706.5680 179.1985 -336019.1241 22785.5049 0.0000 0.0000 45912.3282 -222536.5157 167.0164 -268448.8439 -222048.2692 167.0164 -983.4306 -2469.0310 921491.4634 -983.4306 -2469.0310
ENERGY: 375 18893.7029 19735.2396 5703.0316 180.0533 -335443.7692 22766.6833 0.0000 0.0000 45660.9722 -222504.0862 166.1021 -268165.0585 -222047.0945 166.1021 -539.4860 -2439.8661 921491.4634 -539.4860 -2439.8661
ENERGY: 376 19884.0272 19962.1766 5703.2010 181.1433 -335321.8637 22772.8701 0.0000 0.0000 44434.3278 -222384.1178 161.6399 -266818.4455 -222050.5531 161.6399 -874.6221 -2439.6903 921491.4634 -874.6221 -2439.6903
ENERGY: 377 20646.4607 20251.1595 5706.5521 182.3248 -335763.5806 22794.3773 0.0000 0.0000 43848.2757 -222334.4305 159.5080 -266182.7062 -222041.4015 159.5080 -1819.5856 -2472.4986 921491.4634 -1819.5856 -2472.4986
ENERGY: 378 20473.8098 20495.6596 5711.4639 183.2952 -336584.2283 22821.5837 0.0000 0.0000 44474.7539 -222423.6623 161.7869 -266898.4162 -222044.3970 161.7869 -2972.9872 -2523.3499 921491.4634 -2972.9872 -2523.3499
ENERGY: 379 20419.4576 20623.8792 5716.2160 183.8420 -337495.6100 22854.5153 0.0000 0.0000 45185.6416 -222512.0584 164.3729 -267697.7000 -222047.0131 164.3729 -3997.4171 -2563.3072 921491.4634 -3997.4171 -2563.3072
TIMING: 380 CPU: 179.118, 0.460471/step Wall: 179.118, 0.460471/step, 0.015349 hours remaining, 3224.082031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 380 21458.1132 20605.4120 5719.3306 183.8284 -338176.3457 22892.6529 0.0000 0.0000 44833.7903 -222483.2182 163.0930 -267317.0086 -222063.6481 163.0930 -4580.2701 -2564.2101 921491.4634 -4580.2701 -2564.2101
ENERGY: 381 22824.3128 20467.0310 5720.1164 183.2929 -338395.2416 22923.6569 0.0000 0.0000 43906.3007 -222370.5309 159.7191 -266276.8316 -222053.0348 159.7191 -4470.7196 -2514.6121 921491.4634 -4470.7196 -2514.6121
ENERGY: 382 22844.1904 20220.4985 5718.3197 182.2157 -338010.6537 22930.5473 0.0000 0.0000 43766.5300 -222348.3520 159.2106 -266114.8821 -222051.0364 159.2106 -3524.7150 -2418.5488 921491.4634 -3524.7150 -2418.5488
ENERGY: 383 21263.6993 19910.9245 5714.6670 180.7420 -337128.0230 22911.2845 0.0000 0.0000 44707.9445 -222438.7612 162.6352 -267146.7057 -222048.1881 162.6352 -2023.0804 -2294.0131 921491.4634 -2023.0804 -2294.0131
ENERGY: 384 19625.4114 19596.0353 5710.5349 179.0647 -336052.0487 22884.2534 0.0000 0.0000 45539.1832 -222517.5658 165.6590 -268056.7490 -222062.0926 165.6590 -569.2380 -2166.9357 921491.4634 -569.2380 -2166.9357
ENERGY: 385 19327.8182 19356.8911 5707.7751 177.4354 -335210.6400 22871.6143 0.0000 0.0000 45299.7169 -222469.3890 164.7879 -267769.1059 -222051.0993 164.7879 215.3514 -2064.3636 921491.4634 215.3514 -2064.3636
ENERGY: 386 19981.2273 19220.9464 5707.6637 175.9384 -334865.1816 22880.7957 0.0000 0.0000 44519.8584 -222378.7516 161.9510 -266898.6100 -222051.0438 161.9510 122.6671 -2011.2427 921491.4634 122.6671 -2011.2427
ENERGY: 387 20367.2858 19202.4843 5710.9354 174.6759 -335109.8724 22905.2744 0.0000 0.0000 44377.1815 -222372.0350 161.4320 -266749.2165 -222053.0050 161.4320 -738.9583 -2019.1688 921491.4634 -738.9583 -2019.1688
ENERGY: 388 20282.3985 19280.0167 5717.2934 173.7038 -335824.1519 22938.2900 0.0000 0.0000 44972.7760 -222459.6734 163.5986 -267432.4495 -222067.4821 163.5986 -2063.8553 -2076.2821 921491.4634 -2063.8553 -2076.2821
ENERGY: 389 20685.9712 19431.2564 5725.6291 173.0778 -336772.2805 22978.5920 0.0000 0.0000 45279.3792 -222498.3749 164.7139 -267777.7541 -222059.2969 164.7139 -3501.7338 -2158.1992 921491.4634 -3501.7338 -2158.1992
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 390 21929.5051 19598.7448 5733.9032 172.7580 -337596.2515 23021.3363 0.0000 0.0000 44698.9836 -222441.0205 162.6026 -267140.0041 -222061.4798 162.6026 -4540.4923 -2229.7774 921491.4634 -4540.4923 -2229.7774
ENERGY: 391 22937.3144 19764.3496 5740.3107 172.7562 -338017.7280 23051.7300 0.0000 0.0000 43987.0070 -222364.2601 160.0126 -266351.2671 -222061.6925 160.0126 -4746.5207 -2270.9349 921491.4634 -4746.5207 -2270.9349
ENERGY: 392 22488.0359 19924.0529 5743.6080 173.0775 -337898.4689 23055.0074 0.0000 0.0000 44125.3367 -222389.3505 160.5158 -266514.6873 -222067.3169 160.5158 -3965.0288 -2276.9602 921491.4634 -3965.0288 -2276.9602
ENERGY: 393 20924.3595 20087.8869 5743.5041 173.6901 -337346.1130 23032.5727 0.0000 0.0000 44913.3818 -222470.7179 163.3825 -267384.0996 -222058.1710 163.3825 -2525.7428 -2257.0110 921491.4634 -2525.7428 -2257.0110
ENERGY: 394 19713.0845 20210.4904 5740.1181 174.4904 -336587.4369 23002.1145 0.0000 0.0000 45247.1170 -222500.0220 164.5966 -267747.1390 -222054.8629 164.5966 -988.4119 -2227.7233 921491.4634 -988.4119 -2227.7233
ENERGY: 395 19644.4019 20265.5069 5734.3763 175.3161 -335972.1484 22982.1021 0.0000 0.0000 44739.8935 -222430.5515 162.7514 -267170.4450 -222052.2373 162.7514 57.9321 -2215.1747 921491.4634 57.9321 -2215.1747
ENERGY: 396 20000.9209 20248.4508 5727.6303 175.9620 -335765.9672 22978.8840 0.0000 0.0000 44270.3050 -222363.8143 161.0432 -266634.1192 -222050.8950 161.0432 285.8965 -2246.0849 921491.4634 285.8965 -2246.0849
ENERGY: 397 19906.7782 20200.7712 5721.4919 176.2273 -336102.8179 22990.0377 0.0000 0.0000 44712.8674 -222394.6442 162.6531 -267107.5116 -222042.6600 162.6531 -376.0862 -2327.2102 921491.4634 -376.0862 -2327.2102
ENERGY: 398 19692.8115 20133.3593 5716.9814 176.0456 -336812.3382 23014.0587 0.0000 0.0000 45592.7321 -222486.3497 165.8538 -268079.0817 -222045.7223 165.8538 -1710.2236 -2443.6965 921491.4634 -1710.2236 -2443.6965
ENERGY: 399 20395.5108 20061.2892 5714.6367 175.4775 -337634.0288 23050.4589 0.0000 0.0000 45731.2025 -222505.4532 166.3575 -268236.6556 -222049.1603 166.3575 -3349.4392 -2564.3620 921491.4634 -3349.4392 -2564.3620
LDB: ============= START OF LOAD BALANCING ============== 194.299
LDB: Largest compute 230 load 0.526835 is 1.2% of average load 45.662657
LDB: Average compute 0.063947 is 0.1% of average load 45.662657
LDB: TIME 194.301 LOAD: AVG 45.6627 MAX 46.0815 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.08 MB
LDB: TIME 194.301 LOAD: AVG 45.6627 MAX 46.0815 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.08 MB
LDB: TIME 194.301 LOAD: AVG 45.6627 MAX 46.0815 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.08 MB
LDB: ============== END OF LOAD BALANCING =============== 194.302
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.303
Info: Benchmark time: 4 CPUs 0.460753 s/step 5.33279 days/ns 3224.08 MB memory
TIMING: 400 CPU: 188.331, 0.460619/step Wall: 188.331, 0.460619/step, 0.012795 hours remaining, 3224.082031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 400 21983.9558 19981.4882 5714.2278 174.7230 -338264.6730 23090.3531 0.0000 0.0000 44890.2680 -222429.6572 163.2985 -267319.9251 -222060.6832 163.2985 -4748.6077 -2656.9998 921491.4634 -4748.6077 -2656.9998
ENERGY: 401 23053.7073 19909.1477 5715.0562 174.0724 -338477.1025 23114.9570 0.0000 0.0000 44157.6675 -222352.4944 160.6335 -266510.1619 -222050.1991 160.6335 -5384.8815 -2700.1793 921491.4634 -5384.8815 -2700.1793
ENERGY: 402 22444.0479 19835.9108 5715.8942 173.8391 -338107.6288 23109.6381 0.0000 0.0000 44436.8095 -222391.4891 161.6489 -266828.2986 -222049.2227 161.6489 -4939.3795 -2681.7024 921491.4634 -4939.3795 -2681.7024
ENERGY: 403 20784.9695 19778.4827 5715.7218 174.2695 -337239.9784 23077.8405 0.0000 0.0000 45225.5959 -222483.0985 164.5183 -267708.6944 -222046.6855 164.5183 -3613.5978 -2605.7427 921491.4634 -3613.5978 -2605.7427
ENERGY: 404 19687.5954 19735.4027 5713.8114 175.5084 -336169.1140 23038.2903 0.0000 0.0000 45313.8389 -222504.6669 164.8393 -267818.5058 -222060.2371 164.8393 -1967.0746 -2494.0437 921491.4634 -1967.0746 -2494.0437
ENERGY: 405 19798.8801 19696.7723 5710.0281 177.6161 -335317.9347 23008.3951 0.0000 0.0000 44511.4432 -222414.7998 161.9204 -266926.2430 -222047.5589 161.9204 -627.4746 -2380.7861 921491.4634 -627.4746 -2380.7861
ENERGY: 406 20210.3502 19614.0441 5704.4965 180.4779 -334953.8236 22994.4766 0.0000 0.0000 43902.7663 -222347.2121 159.7062 -266249.9784 -222046.2404 159.7062 66.0356 -2300.4794 921491.4634 66.0356 -2300.4794
ENERGY: 407 20044.4886 19493.9062 5698.1032 183.8794 -335181.5233 22996.8164 0.0000 0.0000 44376.0636 -222388.2660 161.4279 -266764.3295 -222047.0770 161.4279 -41.3216 -2272.9967 921491.4634 -41.3216 -2272.9967
ENERGY: 408 19735.8469 19387.6642 5692.2152 187.5226 -335902.8220 23017.8177 0.0000 0.0000 45394.4122 -222487.3433 165.1324 -267881.7555 -222063.5312 165.1324 -920.8279 -2294.1554 921491.4634 -920.8279 -2294.1554
ENERGY: 409 20350.1189 19376.4606 5688.4775 191.1592 -336896.6851 23057.9925 0.0000 0.0000 45733.6058 -222498.8704 166.3663 -268232.4763 -222051.6705 166.3663 -2367.4918 -2346.9324 921491.4634 -2367.4918 -2346.9324
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 410 21850.5213 19470.1802 5687.6649 194.4179 -337813.1851 23106.2032 0.0000 0.0000 45077.0715 -222427.1261 163.9780 -267504.1976 -222054.6428 163.9780 -3838.6211 -2402.0239 921491.4634 -3838.6211 -2402.0239
ENERGY: 411 22931.8003 19651.0977 5689.8741 197.0388 -338354.2251 23140.9048 0.0000 0.0000 44380.5349 -222362.9747 161.4442 -266743.5095 -222056.2115 161.4442 -4745.1591 -2436.8800 921491.4634 -4745.1591 -2436.8800
ENERGY: 412 22535.8952 19878.8222 5694.3233 198.8205 -338356.4982 23146.2938 0.0000 0.0000 44499.5087 -222402.8344 161.8770 -266902.3431 -222068.4600 161.8770 -4717.2140 -2436.3027 921491.4634 -4717.2140 -2436.3027
ENERGY: 413 21130.1418 20138.5250 5699.9334 199.7191 -337872.5326 23125.1118 0.0000 0.0000 45113.2145 -222465.8870 164.1095 -267579.1015 -222055.3454 164.1095 -3850.6270 -2398.9548 921491.4634 -3850.6270 -2398.9548
ENERGY: 414 19987.3857 20381.5508 5705.1135 199.5118 -337122.7804 23094.4559 0.0000 0.0000 45271.6529 -222483.1098 164.6858 -267754.7627 -222052.1625 164.6858 -2501.3242 -2333.9463 921491.4634 -2501.3242 -2333.9463
ENERGY: 415 19745.2666 20572.1261 5708.7452 198.1487 -336456.1978 23071.1992 0.0000 0.0000 44733.2275 -222427.4846 162.7272 -267160.7120 -222049.0347 162.7272 -1174.6451 -2266.5615 921491.4634 -1174.6451 -2266.5615
ENERGY: 416 19942.3168 20661.9897 5710.0857 195.6953 -336157.5863 23063.1715 0.0000 0.0000 44200.2852 -222384.0420 160.7885 -266584.3273 -222052.9643 160.7885 -282.7612 -2224.6897 921491.4634 -282.7612 -2224.6897
ENERGY: 417 20031.3747 20631.3210 5709.0494 192.4696 -336373.1076 23072.1098 0.0000 0.0000 44338.4621 -222398.3209 161.2911 -266736.7830 -222044.6993 161.2911 -112.4552 -2227.1699 921491.4634 -112.4552 -2227.1699
ENERGY: 418 20154.6647 20457.0910 5705.5847 188.6536 -336970.7867 23098.6725 0.0000 0.0000 44915.1423 -222450.9778 163.3889 -267366.1201 -222046.7092 163.3889 -671.8545 -2269.9921 921491.4634 -671.8545 -2269.9921
ENERGY: 419 20790.7632 20185.5524 5700.4810 184.6054 -337717.8754 23139.8022 0.0000 0.0000 45250.3099 -222466.3613 164.6082 -267716.6712 -222049.5950 164.6082 -1783.9422 -2336.6465 921491.4634 -1783.9422 -2336.6465
TIMING: 420 CPU: 197.511, 0.459009/step Wall: 197.511, 0.459009/step, 0.0102002 hours remaining, 3224.082031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 420 21812.8761 19887.3911 5695.0415 180.6770 -338321.5510 23183.0572 0.0000 0.0000 45121.9774 -222440.5307 164.1414 -267562.5082 -222061.1150 164.1414 -3051.6031 -2402.9274 921491.4634 -3051.6031 -2402.9274
ENERGY: 421 22491.6106 19639.6135 5690.9238 177.2518 -338550.3532 23210.1382 0.0000 0.0000 44931.8958 -222408.9195 163.4499 -267340.8153 -222052.6021 163.4499 -4041.3727 -2452.8636 921491.4634 -4041.3727 -2452.8636
ENERGY: 422 22275.7613 19449.5349 5688.9976 174.4058 -338225.0310 23208.5473 0.0000 0.0000 45004.7080 -222423.0760 163.7148 -267427.7840 -222052.8452 163.7148 -4363.1154 -2465.6373 921491.4634 -4363.1154 -2465.6373
ENERGY: 423 21418.8985 19324.4272 5689.6736 172.2145 -337416.8950 23180.6037 0.0000 0.0000 45183.9709 -222447.1066 164.3669 -267631.0775 -222051.5235 164.3669 -3955.8308 -2434.9306 921491.4634 -3955.8308 -2434.9306
ENERGY: 424 20531.3309 19270.7814 5692.6542 170.6563 -336406.2756 23140.4643 0.0000 0.0000 45151.0453 -222449.3433 164.2471 -267600.3885 -222060.4130 164.2471 -3030.1610 -2370.2034 921491.4634 -3030.1610 -2370.2034
ENERGY: 425 19942.3359 19314.5606 5697.3263 169.6876 -335607.5197 23103.7917 0.0000 0.0000 44956.0477 -222423.7700 163.5377 -267379.8177 -222050.7966 163.5377 -1980.9653 -2297.0091 921491.4634 -1980.9653 -2297.0091
ENERGY: 426 19603.3344 19432.3067 5702.4947 169.0990 -335270.6868 23080.2888 0.0000 0.0000 44862.7382 -222420.4249 163.1983 -267283.1631 -222049.1092 163.1983 -1125.8050 -2237.7216 921491.4634 -1125.8050 -2237.7216
ENERGY: 427 19598.5314 19595.2896 5707.1504 168.7509 -335498.4312 23074.5003 0.0000 0.0000 44915.2774 -222438.9313 163.3894 -267354.2086 -222048.7340 163.3894 -741.9009 -2207.6356 921491.4634 -741.9009 -2207.6356
ENERGY: 428 20140.4227 19760.4169 5710.4628 168.5259 -336199.9846 23087.7673 0.0000 0.0000 44884.2593 -222448.1297 163.2766 -267332.3890 -222058.0550 163.2766 -935.5732 -2206.9585 921491.4634 -935.5732 -2206.9585
ENERGY: 429 21147.3676 19912.0618 5712.1357 168.3557 -337181.5902 23116.4517 0.0000 0.0000 44706.5243 -222418.6934 162.6300 -267125.2177 -222045.4881 162.6300 -1630.8086 -2233.4562 921491.4634 -1630.8086 -2233.4562
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9873 20024.3738 5712.1700 168.1897 -338096.9202 23149.4489 0.0000 0.0000 44626.3099 -222402.4406 162.3383 -267028.7505 -222047.3915 162.3383 -2472.2458 -2268.0466 921491.4634 -2472.2458 -2268.0466
ENERGY: 431 22204.1022 20111.4154 5711.2600 168.0704 -338644.7643 23172.3801 0.0000 0.0000 44858.4630 -222419.0732 163.1828 -267277.5362 -222048.7169 163.1828 -3116.2808 -2293.5592 921491.4634 -3116.2808 -2293.5592
ENERGY: 432 21768.3704 20188.6726 5710.3547 168.1086 -338651.2102 23176.0842 0.0000 0.0000 45177.9910 -222461.6287 164.3451 -267639.6197 -222065.9060 164.3451 -3350.2744 -2296.1498 921491.4634 -3350.2744 -2296.1498
ENERGY: 433 21200.9072 20275.9666 5710.3763 168.4633 -338164.0639 23162.2907 0.0000 0.0000 45192.9285 -222453.1312 164.3995 -267646.0597 -222052.5983 164.3995 -3187.3735 -2272.1277 921491.4634 -3187.3735 -2272.1277
ENERGY: 434 20730.3412 20338.1502 5711.6061 169.3247 -337394.2705 23140.7732 0.0000 0.0000 44883.0999 -222420.9753 163.2724 -267304.0752 -222051.1463 163.2724 -2694.3109 -2227.7886 921491.4634 -2694.3109 -2227.7886
ENERGY: 435 20235.2200 20362.4017 5714.0003 170.8455 -336680.6556 23123.4094 0.0000 0.0000 44675.9842 -222398.7945 162.5190 -267074.7787 -222049.5890 162.5190 -2061.3582 -2179.8952 921491.4634 -2061.3582 -2179.8952
ENERGY: 436 19670.9241 20349.9984 5717.2345 173.0864 -336303.8810 23119.9074 0.0000 0.0000 44847.0986 -222425.6316 163.1414 -267272.7302 -222059.6958 163.1414 -1520.6597 -2145.1617 921491.4634 -1520.6597 -2145.1617
ENERGY: 437 19434.5515 20329.5094 5720.9893 175.9827 -336411.9782 23136.3864 0.0000 0.0000 45159.2690 -222455.2900 164.2770 -267614.5589 -222050.7502 164.2770 -1319.1168 -2134.4848 921491.4634 -1319.1168 -2134.4848
ENERGY: 438 19935.1532 20278.6096 5724.6884 179.3848 -336899.4574 23173.5516 0.0000 0.0000 45148.1326 -222459.9373 164.2365 -267608.0698 -222051.5667 164.2365 -1493.0940 -2145.0881 921491.4634 -1493.0940 -2145.0881
ENERGY: 439 21052.7407 20184.4296 5727.7929 183.0561 -337561.7716 23224.7479 0.0000 0.0000 44760.8213 -222428.1832 162.8276 -267189.0044 -222052.7964 162.8276 -1936.1988 -2169.8747 921491.4634 -1936.1988 -2169.8747
TIMING: 440 CPU: 206.689, 0.4589/step Wall: 206.689, 0.4589/step, 0.00764833 hours remaining, 3224.082031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5683 20036.2371 5729.7527 186.7201 -338123.1805 23276.2482 0.0000 0.0000 44417.5460 -222405.1079 161.5788 -266822.6540 -222059.4773 161.5788 -2408.4613 -2197.9671 921491.4634 -2408.4613 -2197.9671
ENERGY: 441 22355.5486 19860.0408 5730.3488 190.1145 -338361.1712 23313.2042 0.0000 0.0000 44502.6965 -222409.2179 161.8886 -266911.9144 -222050.0860 161.8886 -2716.1029 -2221.5314 921491.4634 -2716.1029 -2221.5314
ENERGY: 442 21853.6118 19664.5347 5729.4854 192.9411 -338090.1529 23327.1564 0.0000 0.0000 44880.6320 -222441.7914 163.2634 -267322.4234 -222049.7755 163.2634 -2710.5577 -2229.0696 921491.4634 -2710.5577 -2229.0696
ENERGY: 443 21064.3316 19487.0720 5727.6164 194.9329 -337369.3145 23320.0154 0.0000 0.0000 45118.1107 -222457.2354 164.1273 -267575.3462 -222048.5996 164.1273 -2448.1649 -2220.3531 921491.4634 -2448.1649 -2220.3531
ENERGY: 444 20449.3363 19357.2687 5725.4095 195.8735 -336464.1918 23301.5273 0.0000 0.0000 44987.7177 -222447.0589 163.6530 -267434.7766 -222057.9799 163.6530 -2090.2100 -2206.4399 921491.4634 -2090.2100 -2206.4399
ENERGY: 445 20125.5608 19307.2514 5723.6513 195.6942 -335759.3910 23283.8135 0.0000 0.0000 44708.7155 -222414.7043 162.6380 -267123.4198 -222046.5429 162.6380 -1846.9625 -2201.6925 921491.4634 -1846.9625 -2201.6925
ENERGY: 446 19947.6805 19324.9003 5722.5430 194.3235 -335494.5706 23276.0448 0.0000 0.0000 44620.2947 -222408.7840 162.3164 -267029.0787 -222046.1622 162.3164 -1800.7517 -2216.7293 921491.4634 -1800.7517 -2216.7293
ENERGY: 447 19914.2848 19416.0207 5722.2107 191.8641 -335769.4400 23282.7455 0.0000 0.0000 44816.5090 -222425.8051 163.0301 -267242.3141 -222046.8344 163.0301 -1993.3111 -2253.0603 921491.4634 -1993.3111 -2253.0603
ENERGY: 448 20187.5921 19583.6798 5722.5764 188.5554 -336503.1806 23303.8901 0.0000 0.0000 45065.6679 -222451.2189 163.9365 -267516.8868 -222059.3485 163.9365 -2372.1880 -2303.7901 921491.4634 -2372.1880 -2303.7901
ENERGY: 449 20877.4060 19832.6985 5723.5712 184.8596 -337500.9080 23334.5920 0.0000 0.0000 45101.1684 -222446.6123 164.0657 -267547.7807 -222047.7103 164.0657 -2827.1084 -2356.1410 921491.4634 -2827.1084 -2356.1410
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4855 20108.1299 5724.4776 181.0897 -338419.3261 23364.6241 0.0000 0.0000 44854.3103 -222432.2091 163.1677 -267286.5194 -222048.7865 163.1677 -3116.6760 -2394.3899 921491.4634 -3116.6760 -2394.3899
ENERGY: 451 22355.5904 20357.7255 5724.7144 177.6517 -338952.0922 23381.8005 0.0000 0.0000 44542.6993 -222411.9104 162.0341 -266954.6097 -222048.8250 162.0341 -3074.2537 -2405.7800 921491.4634 -3074.2537 -2405.7800
ENERGY: 452 22246.2017 20536.0134 5723.8953 174.8859 -338927.1547 23378.0942 0.0000 0.0000 44452.9203 -222415.1439 161.7075 -266868.0642 -222059.6370 161.7075 -2659.9608 -2384.7569 921491.4634 -2659.9608 -2384.7569
ENERGY: 453 21399.8728 20641.1311 5722.2878 173.1350 -338392.7944 23354.5906 0.0000 0.0000 44683.7040 -222418.0730 162.5470 -267101.7770 -222043.5371 162.5470 -2048.3341 -2342.4669 921491.4634 -2048.3341 -2342.4669
ENERGY: 454 20248.3382 20654.1374 5720.2217 172.3637 -337567.1424 23320.6901 0.0000 0.0000 45008.1472 -222443.2441 163.7273 -267451.3913 -222041.8391 163.7273 -1453.4580 -2293.1451 921491.4634 -1453.4580 -2293.1451
ENERGY: 455 19486.7907 20584.7121 5718.4844 172.5169 -336790.6460 23290.4023 0.0000 0.0000 45086.5793 -222451.1603 164.0126 -267537.7396 -222040.8569 164.0126 -1151.8824 -2255.8572 921491.4634 -1151.8824 -2255.8572
ENERGY: 456 19493.3722 20440.6801 5717.7556 173.4248 -336350.1084 23274.9631 0.0000 0.0000 44811.4729 -222438.4397 163.0118 -267249.9126 -222055.3488 163.0118 -1305.5004 -2245.5824 921491.4634 -1305.5004 -2245.5824
ENERGY: 457 20047.4929 20251.9435 5718.5580 174.9241 -336395.8171 23277.8274 0.0000 0.0000 44521.8707 -222403.2004 161.9583 -266925.0712 -222049.4135 161.9583 -1906.4165 -2263.5014 921491.4634 -1906.4165 -2263.5014
ENERGY: 458 20585.8435 20019.2722 5720.7061 176.6081 -336835.0964 23294.7173 0.0000 0.0000 44632.7891 -222405.1601 162.3618 -267037.9492 -222051.2824 162.3618 -2684.6987 -2301.0428 921491.4634 -2684.6987 -2301.0428
ENERGY: 459 20903.4946 19784.9689 5724.0021 178.1985 -337468.1647 23318.6983 0.0000 0.0000 45113.9368 -222444.8654 164.1121 -267558.8023 -222053.1413 164.1121 -3350.5833 -2341.5797 921491.4634 -3350.5833 -2341.5797
TIMING: 460 CPU: 215.864, 0.458752/step Wall: 215.864, 0.458752/step, 0.00509724 hours remaining, 3224.082031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6140 19597.9062 5728.0972 179.4910 -338014.3768 23341.8002 0.0000 0.0000 45423.8565 -222480.6117 165.2395 -267904.4682 -222064.6837 165.2395 -3669.8204 -2365.2413 921491.4634 -3669.8204 -2365.2413
ENERGY: 461 21862.8765 19507.1073 5732.5753 180.4333 -338251.6214 23355.3936 0.0000 0.0000 45154.6135 -222458.6220 164.2601 -267613.2355 -222058.0508 164.2601 -3556.1668 -2361.1800 921491.4634 -3556.1668 -2361.1800
ENERGY: 462 22264.2257 19487.8106 5736.4823 180.9531 -337988.7167 23351.1087 0.0000 0.0000 44559.9288 -222408.2075 162.0968 -266968.1363 -222056.7215 162.0968 -2954.8202 -2323.4251 921491.4634 -2954.8202 -2323.4251
ENERGY: 463 21821.1790 19513.9013 5738.9361 181.1160 -337284.1024 23326.9479 0.0000 0.0000 44313.4568 -222388.5653 161.2002 -266702.0221 -222054.6243 161.2002 -2012.4425 -2264.0778 921491.4634 -2012.4425 -2264.0778
ENERGY: 464 20535.2458 19559.9270 5739.2518 181.0096 -336389.3834 23291.1943 0.0000 0.0000 44654.0264 -222428.7284 162.4391 -267082.7549 -222058.5729 162.4391 -1050.9225 -2205.5267 921491.4634 -1050.9225 -2205.5267
ENERGY: 465 19322.7825 19631.8852 5737.2899 180.7155 -335701.1528 23259.7393 0.0000 0.0000 45094.5685 -222474.1719 164.0416 -267568.7405 -222052.9388 164.0416 -512.3344 -2174.4007 921491.4634 -512.3344 -2174.4007
ENERGY: 466 19088.4510 19708.3579 5733.2107 180.2808 -335443.7722 23245.0606 0.0000 0.0000 45020.7906 -222467.6206 163.7733 -267488.4112 -222052.9785 163.7733 -630.3311 -2182.6709 921491.4634 -630.3311 -2182.6709
ENERGY: 467 19841.8070 19783.1741 5727.6704 179.7757 -335721.0951 23249.4533 0.0000 0.0000 44523.6664 -222415.5482 161.9649 -266939.2146 -222054.3495 161.9649 -1393.6027 -2232.5922 921491.4634 -1393.6027 -2232.5922
ENERGY: 468 20761.8483 19845.4941 5721.5090 179.2779 -336451.5670 23265.8129 0.0000 0.0000 44291.6586 -222385.9663 161.1209 -266677.6249 -222056.3591 161.1209 -2508.6713 -2314.1339 921491.4634 -2508.6713 -2314.1339
ENERGY: 469 21236.3017 19910.2021 5715.6824 178.8504 -337458.3210 23284.3966 0.0000 0.0000 44720.3206 -222412.5672 162.6802 -267132.8878 -222046.0750 162.6802 -3596.7406 -2405.7972 921491.4634 -3596.7406 -2405.7972
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1733 19972.8935 5710.9491 178.5947 -338383.2519 23297.0677 0.0000 0.0000 45346.4579 -222466.1156 164.9580 -267812.5735 -222047.6089 164.9580 -4259.6997 -2477.6831 921491.4634 -4259.6997 -2477.6831
ENERGY: 471 21732.8681 20054.6837 5707.9626 178.5890 -338913.2466 23297.5090 0.0000 0.0000 45471.3371 -222470.2970 165.4122 -267941.6342 -222047.5359 165.4122 -4290.5685 -2504.3175 921491.4634 -4290.5685 -2504.3175
ENERGY: 472 22081.2364 20161.5554 5707.0091 178.9047 -338870.6785 23279.4497 0.0000 0.0000 45028.5301 -222433.9930 163.8014 -267462.5232 -222059.5059 163.8014 -3659.7362 -2479.9184 921491.4634 -3659.7362 -2479.9184
ENERGY: 473 21866.1365 20289.3430 5707.9843 179.6165 -338307.7210 23240.7370 0.0000 0.0000 44634.5179 -222389.3860 162.3681 -267023.9039 -222043.8540 162.3681 -2556.3616 -2408.1657 921491.4634 -2556.3616 -2408.1657
ENERGY: 474 20842.9706 20372.0990 5710.2160 180.7466 -337438.4572 23189.2355 0.0000 0.0000 44733.2312 -222409.9582 162.7272 -267143.1895 -222041.2621 162.7272 -1295.5524 -2316.2728 921491.4634 -1295.5524 -2316.2728
ENERGY: 475 19674.2082 20371.7677 5712.9876 182.2512 -336604.2332 23142.3825 0.0000 0.0000 45070.2144 -222450.4217 163.9531 -267520.6362 -222039.4531 163.9531 -344.6447 -2232.2125 921491.4634 -344.6447 -2232.2125
ENERGY: 476 19235.7863 20282.0276 5715.7683 184.0125 -336100.0920 23115.8473 0.0000 0.0000 45106.0639 -222460.5860 164.0835 -267566.6500 -222053.6137 164.0835 -92.4047 -2183.0651 921491.4634 -92.4047 -2183.0651
ENERGY: 477 19704.7250 20145.9813 5718.4976 185.9230 -336101.8805 23114.2946 0.0000 0.0000 44812.3215 -222420.1374 163.0149 -267232.4589 -222044.8411 163.0149 -667.4943 -2171.8227 921491.4634 -667.4943 -2171.8227
ENERGY: 478 20493.4776 19974.7637 5721.0254 187.7262 -336537.4050 23131.2467 0.0000 0.0000 44627.0340 -222402.1314 162.3409 -267029.1654 -222047.4106 162.3409 -1807.1602 -2198.7955 921491.4634 -1807.1602 -2198.7955
ENERGY: 479 21125.3058 19793.3954 5723.3295 189.2099 -337215.5851 23156.6778 0.0000 0.0000 44802.1585 -222425.5082 162.9779 -267227.6667 -222050.5459 162.9779 -3089.8514 -2246.7916 921491.4634 -3089.8514 -2246.7916
TIMING: 480 CPU: 225.035, 0.458532/step Wall: 225.035, 0.458532/step, 0.0025474 hours remaining, 3224.082031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0329 19623.1962 5725.3111 190.1900 -337854.6797 23181.5124 0.0000 0.0000 45051.6820 -222458.7551 163.8856 -267510.4371 -222064.6211 163.8856 -4077.7327 -2291.4892 921491.4634 -4077.7327 -2291.4892
ENERGY: 481 22092.4857 19510.0430 5727.0952 190.6351 -338199.2491 23196.7965 0.0000 0.0000 45041.3371 -222440.8564 163.8480 -267482.1936 -222052.5267 163.8480 -4466.2396 -2305.6733 921491.4634 -4466.2396 -2305.6733
ENERGY: 482 22186.3471 19466.6791 5728.4964 190.3598 -338044.5427 23192.7480 0.0000 0.0000 44865.8522 -222414.0602 163.2096 -267279.9124 -222051.4114 163.2096 -4059.3100 -2278.0616 921491.4634 -4059.3100 -2278.0616
ENERGY: 483 21553.1415 19511.5743 5729.5660 189.3226 -337426.2193 23165.8745 0.0000 0.0000 44861.8971 -222414.8431 163.1953 -267276.7402 -222048.7673 163.1953 -2964.1724 -2216.4117 921491.4634 -2964.1724 -2216.4117
ENERGY: 484 20460.8928 19631.1937 5730.2465 187.5455 -336590.8890 23126.1356 0.0000 0.0000 45003.6032 -222451.2717 163.7107 -267454.8749 -222059.8742 163.7107 -1565.2425 -2143.1850 921491.4634 -1565.2425 -2143.1850
ENERGY: 485 19688.7724 19800.2990 5730.5256 185.2458 -335902.5871 23092.8474 0.0000 0.0000 44955.5723 -222449.3246 163.5360 -267404.8969 -222045.9606 163.5360 -422.1570 -2086.8737 921491.4634 -422.1570 -2086.8737
ENERGY: 486 19602.5430 19954.8175 5729.7198 182.4662 -335612.3571 23080.3811 0.0000 0.0000 44645.9113 -222416.5182 162.4096 -267062.4295 -222044.6761 162.4096 87.3181 -2070.0983 921491.4634 87.3181 -2070.0983
ENERGY: 487 19881.0927 20072.0212 5727.4347 179.4360 -335846.4483 23091.0547 0.0000 0.0000 44503.3490 -222392.0600 161.8910 -266895.4090 -222045.2407 161.8910 -192.2346 -2106.8841 921491.4634 -192.2346 -2106.8841
ENERGY: 488 20125.2098 20156.1362 5723.5441 176.4338 -336552.5451 23118.8618 0.0000 0.0000 44827.0554 -222425.3040 163.0685 -267252.3594 -222057.1938 163.0685 -1145.7534 -2194.6680 921491.4634 -1145.7534 -2194.6680
ENERGY: 489 20526.8871 20236.4610 5718.5749 173.8639 -337540.4652 23156.7312 0.0000 0.0000 45266.1000 -222461.8472 164.6656 -267727.9472 -222045.6085 164.6656 -2511.2405 -2316.7067 921491.4634 -2511.2405 -2316.7067
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7490 20292.9024 5712.8912 171.8438 -338458.1357 23196.4878 0.0000 0.0000 45213.5623 -222459.6992 164.4745 -267673.2615 -222048.2207 164.4745 -3823.4040 -2437.4155 921491.4634 -3823.4040 -2437.4155
ENERGY: 491 22430.4641 20312.1363 5707.3795 170.5404 -338984.5790 23226.0938 0.0000 0.0000 44733.0083 -222404.9567 162.7264 -267137.9650 -222049.4637 162.7264 -4629.6936 -2524.6215 921491.4634 -4629.6936 -2524.6215
ENERGY: 492 22612.9547 20289.6814 5702.9944 170.0208 -338937.5815 23232.7205 0.0000 0.0000 44542.1945 -222387.0152 162.0323 -266929.2097 -222060.3861 162.0323 -4606.8526 -2557.4731 921491.4634 -4606.8526 -2557.4731
ENERGY: 493 21558.2187 20260.7378 5700.7779 170.3200 -338358.0634 23214.0537 0.0000 0.0000 45033.8225 -222420.1327 163.8207 -267453.9553 -222046.5902 163.8207 -3796.3820 -2540.0997 921491.4634 -3796.3820 -2540.0997
ENERGY: 494 20068.3366 20225.0265 5700.9806 171.2193 -337454.3836 23183.0795 0.0000 0.0000 45622.2471 -222483.4940 165.9612 -268105.7411 -222044.0869 165.9612 -2500.8993 -2482.1070 921491.4634 -2500.8993 -2482.1070
ENERGY: 495 19383.2465 20186.8304 5703.5926 172.5416 -336566.9888 23159.4625 0.0000 0.0000 45484.1226 -222477.1926 165.4587 -267961.3152 -222041.5565 165.4587 -1249.6838 -2407.3057 921491.4634 -1249.6838 -2407.3057
ENERGY: 496 19722.4836 20130.6475 5708.0350 174.0933 -335998.7156 23154.2636 0.0000 0.0000 44699.5267 -222409.6659 162.6046 -267109.1926 -222049.0670 162.6046 -478.8996 -2343.4751 921491.4634 -478.8996 -2343.4751
ENERGY: 497 20212.6668 20059.9177 5713.4613 175.7242 -335952.5043 23166.3546 0.0000 0.0000 44261.0288 -222363.3510 161.0095 -266624.3798 -222042.7500 161.0095 -421.0231 -2316.7928 921491.4634 -421.0231 -2316.7928
ENERGY: 498 20182.0164 19957.1215 5718.5597 177.2604 -336366.4935 23189.3586 0.0000 0.0000 44728.2537 -222413.9233 162.7091 -267142.1771 -222044.5219 162.7091 -993.4678 -2331.6472 921491.4634 -993.4678 -2331.6472
ENERGY: 499 20158.0679 19847.7307 5722.4090 178.6361 -337058.4828 23219.2405 0.0000 0.0000 45439.2648 -222493.1339 165.2956 -267932.3987 -222047.2062 165.2956 -2020.8687 -2376.3390 921491.4634 -2020.8687 -2376.3390
Info: Benchmark time: 4 CPUs 0.457978 s/step 5.30067 days/ns 3224.08 MB memory
TIMING: 500 CPU: 234.129, 0.454706/step Wall: 234.129, 0.454706/step, 0 hours remaining, 3224.082031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8939 19756.6581 5724.4523 179.8271 -337741.4200 23251.1010 0.0000 0.0000 45359.0782 -222495.4094 165.0039 -267854.4876 -222061.0912 165.0039 -3197.5169 -2425.4142 921491.4634 -3197.5169 -2425.4142
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.379 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.379 MB of memory in use
====================================================
WallClock: 240.990738 CPUTime: 240.990738 Memory: 3229.378906 MB
[Partition 0][Node 0] End of program
Application 109307541 resources: utime ~947s, stime ~18s, Rss ~126908, inblocks ~67012, outblocks ~72238
Displaying status file:
verified
WALL=240.990738
CPU=240.990738
MEM=3229.378906
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins17053780658017786318.sh
+ rm -rf /var/lib/jenkins/jobs/NAMD-BW/workspace/cputime /var/lib/jenkins/jobs/NAMD-BW/workspace/memory /var/lib/jenkins/jobs/NAMD-BW/workspace/namd /var/lib/jenkins/jobs/NAMD-BW/workspace/wallclock
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-BW/workspace
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-BW/workspace
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD-BW/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/memory
Finished: SUCCESS
![[Jenkins]](/static/755cd4af/images/svgs/logo.svg){kind=logo}
