Skipping 712 KB..
Full Log
ENERGY: 82 23281.9359 18596.7908 5764.2397 189.9463 -336325.0808 23318.6737 0.0000 0.0000 42895.4652 -222278.0292 156.0419 -265173.4944 -222383.3809 156.0419 -3616.8099 -2297.6228 921491.4634 -3616.8099 -2297.6228
ENERGY: 83 17463.4115 17611.3784 5761.4800 185.4557 -334548.5448 23165.5264 0.0000 0.0000 47631.4997 -222729.7930 173.2703 -270361.2928 -222380.7998 173.2703 -2245.6201 -2209.9239 921491.4634 -2245.6201 -2209.9239
ENERGY: 84 15692.0180 17521.7594 5761.2958 180.7102 -333070.6341 23043.3534 0.0000 0.0000 48072.9173 -222798.5799 174.8761 -270871.4973 -222420.9189 174.8761 -1264.6406 -2119.1646 921491.4634 -1264.6406 -2119.1646
ENERGY: 85 19034.4749 18377.7083 5761.3316 176.5397 -332350.3360 22972.2187 0.0000 0.0000 43641.9415 -222386.1214 158.7574 -266028.0629 -222396.4594 158.7574 -1101.4911 -2031.8233 921491.4634 -1101.4911 -2031.8233
ENERGY: 86 22361.2996 19720.3241 5758.5583 173.6091 -332514.8435 22921.5212 0.0000 0.0000 39480.2342 -222099.2970 143.6182 -261579.5312 -222396.4725 143.6182 -1408.4308 -1992.0456 921491.4634 -1408.4308 -1992.0456
ENERGY: 87 21898.5873 20858.8153 5750.7775 172.4431 -333299.4425 22859.7331 0.0000 0.0000 39513.3018 -222245.7844 143.7385 -261759.0862 -222398.3219 143.7385 -1739.2135 -2002.6067 921491.4634 -1739.2135 -2002.6067
ENERGY: 88 19807.2124 21236.1263 5737.2297 173.3188 -334313.4195 22793.0785 0.0000 0.0000 42007.3339 -222559.1199 152.8111 -264566.4538 -222408.9128 152.8111 -2036.3959 -2043.8955 921491.4634 -2036.3959 -2043.8955
ENERGY: 89 20138.2922 20745.5547 5719.3133 176.3160 -335202.8322 22743.6988 0.0000 0.0000 43113.7498 -222565.9075 156.8360 -265679.6573 -222389.0013 156.8360 -2409.8247 -2071.1686 921491.4634 -2409.8247 -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 22711.6049 19691.0677 5699.8921 181.1111 -335712.1132 22705.2746 0.0000 0.0000 42377.6758 -222345.4870 154.1583 -264723.1628 -222389.2092 154.1583 -2670.9832 -2080.5818 921491.4634 -2670.9832 -2080.5818
ENERGY: 91 23737.5989 18627.1146 5683.0577 187.2277 -335678.4158 22643.5818 0.0000 0.0000 42539.3830 -222260.4521 154.7466 -264799.8351 -222388.3580 154.7466 -2499.0954 -2078.8098 921491.4634 -2499.0954 -2078.8098
ENERGY: 92 21523.8221 18060.4537 5672.6738 194.0387 -335129.0785 22543.7115 0.0000 0.0000 44665.3079 -222469.0708 162.4801 -267134.3787 -222389.6058 162.4801 -1910.9683 -2078.9076 921491.4634 -1910.9683 -2078.9076
ENERGY: 93 18788.3597 18281.5995 5671.3717 200.9119 -334319.2923 22433.7892 0.0000 0.0000 46311.8834 -222631.3769 168.4699 -268943.2603 -222367.8860 168.4699 -1385.1718 -2068.2565 921491.4634 -1385.1718 -2068.2565
ENERGY: 94 18530.9328 19242.9915 5679.4418 207.1113 -333693.3060 22351.2077 0.0000 0.0000 45144.9171 -222536.7039 164.2248 -267681.6210 -222367.0863 164.2248 -1347.2600 -2063.4575 921491.4634 -1347.2600 -2063.4575
ENERGY: 95 20040.4586 20654.3436 5695.3527 212.0382 -333603.6976 22302.2586 0.0000 0.0000 42387.6997 -222311.5461 154.1948 -264699.2458 -222367.4632 154.1948 -1793.7081 -2083.6407 921491.4634 -1793.7081 -2083.6407
ENERGY: 96 20584.1064 22050.3788 5716.0483 215.1945 -334091.8989 22265.7316 0.0000 0.0000 40970.7076 -222289.7315 149.0402 -263260.4391 -222356.3659 149.0402 -2389.6989 -2142.8256 921491.4634 -2389.6989 -2142.8256
ENERGY: 97 19809.1309 22949.2011 5737.7476 216.2279 -334886.9638 22225.8322 0.0000 0.0000 41505.2398 -222443.5843 150.9847 -263948.8242 -222346.5814 150.9847 -2891.9374 -2214.1665 921491.4634 -2891.9374 -2214.1665
ENERGY: 98 19979.7556 22958.8353 5756.3117 214.8681 -335616.8429 22188.2114 0.0000 0.0000 41993.4227 -222525.4381 152.7605 -264518.8608 -222347.6396 152.7605 -3206.5490 -2272.3421 921491.4634 -3206.5490 -2272.3421
ENERGY: 99 22029.8952 22024.0795 5768.5777 211.0972 -336009.8227 22159.4701 0.0000 0.0000 41425.1769 -222391.5262 150.6934 -263816.7031 -222348.0703 150.6934 -3235.8098 -2296.7687 921491.4634 -3235.8098 -2296.7687
LDB: ============= START OF LOAD BALANCING ============== 54.2956
LDB: Largest compute 200 load 0.429292 is 1.2% of average load 36.769872
LDB: Average compute 0.051506 is 0.1% of average load 36.769872
LDB: Partitioning computes with target load 3.676987
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055737
LDB: ============== END OF LOAD BALANCING =============== 54.2976
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.2985
Info: Initial time: 4 CPUs 0.47434 s/step 5.49004 days/ns 3221.59 MB memory
TIMING: 100 CPU: 48.4072, 0.473398/step Wall: 48.4072, 0.473398/step, 0.0525998 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 23587.3021 20475.3729 5773.0376 205.1509 -335896.4622 22125.7987 0.0000 0.0000 41455.8050 -222273.9950 150.8048 -263729.8000 -222326.1726 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 43590.2955 -222393.4874 158.5695 -265983.7829 -222319.4707 158.5695 -1880.2674 -2262.6846 921491.4634 -1880.2674 -2262.6846
ENERGY: 102 19420.3335 17951.6561 5762.8059 188.8891 -334088.2232 21980.7895 0.0000 0.0000 46153.7217 -222630.0274 167.8946 -268783.7491 -222317.3982 167.8946 -924.5795 -2215.2271 921491.4634 -924.5795 -2215.2271
ENERGY: 103 18429.6588 17794.2510 5753.5002 180.0833 -332765.4444 21898.9792 0.0000 0.0000 46061.5884 -222647.3834 167.5594 -268708.9718 -222315.0115 167.5594 -521.9323 -2162.1475 921491.4634 -521.9323 -2162.1475
ENERGY: 104 20135.5161 18313.1191 5745.4365 171.9705 -331716.6190 21838.6802 0.0000 0.0000 43114.8219 -222397.0748 156.8399 -265511.8966 -222300.0342 156.8399 -904.7451 -2132.5694 921491.4634 -904.7451 -2132.5694
ENERGY: 105 21674.8147 19112.5119 5740.5773 165.3638 -331353.5903 21791.8563 0.0000 0.0000 40663.3131 -222205.1533 147.9220 -262868.4663 -222297.2861 147.9220 -1781.0302 -2140.0925 921491.4634 -1781.0302 -2140.0925
ENERGY: 106 20688.3526 19760.1603 5739.0355 160.9482 -331684.6911 21743.4748 0.0000 0.0000 41270.8908 -222321.8289 150.1322 -263592.7197 -222299.8102 150.1322 -2687.8655 -2192.8737 921491.4634 -2687.8655 -2192.8737
ENERGY: 107 18828.1851 20041.3660 5739.7936 159.1631 -332486.5660 21693.8616 0.0000 0.0000 43452.4231 -222571.7735 158.0680 -266024.1966 -222302.3923 158.0680 -3435.4056 -2264.9714 921491.4634 -3435.4056 -2264.9714
ENERGY: 108 19374.7527 19955.6335 5740.9974 160.1493 -333435.9265 21654.4582 0.0000 0.0000 43952.1729 -222597.7626 159.8859 -266549.9355 -222305.0565 159.8859 -3989.5484 -2325.7046 921491.4634 -3989.5484 -2325.7046
ENERGY: 109 22394.0521 19651.8556 5740.7059 163.7566 -334323.6680 21623.9120 0.0000 0.0000 42380.9038 -222368.4821 154.1701 -264749.3858 -222289.2484 154.1701 -4162.2878 -2354.5142 921491.4634 -4162.2878 -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 19315.3192 5736.8740 169.5643 -334907.1602 21583.6717 0.0000 0.0000 41568.0397 -222222.9600 151.2131 -263790.9997 -222288.3779 151.2131 -3608.1962 -2356.1915 921491.4634 -3608.1962 -2356.1915
ENERGY: 111 22660.5937 19186.3868 5728.6091 176.9885 -335028.8262 21518.8536 0.0000 0.0000 43385.4034 -222371.9911 157.8242 -265757.3945 -222286.8997 157.8242 -2331.3777 -2338.2311 921491.4634 -2331.3777 -2338.2311
ENERGY: 112 19381.8199 19463.5170 5716.4074 185.3624 -334677.6376 21440.9489 0.0000 0.0000 45860.8185 -222628.7636 166.8291 -268489.5821 -222302.4570 166.8291 -894.2293 -2309.1964 921491.4634 -894.2293 -2309.1964
ENERGY: 113 18216.1580 20180.8084 5702.4491 194.0323 -334046.4827 21376.2231 0.0000 0.0000 45761.5816 -222615.2302 166.4681 -268376.8118 -222273.7403 166.4681 -55.6424 -2273.8625 921491.4634 -55.6424 -2273.8625
ENERGY: 114 19843.9971 21062.4095 5689.3793 202.2945 -333472.4291 21337.7637 0.0000 0.0000 42964.6871 -222371.8979 156.2937 -265336.5850 -222272.2455 156.2937 -128.5963 -2261.6571 921491.4634 -128.5963 -2261.6571
ENERGY: 115 21448.4485 21679.6562 5680.2429 209.5308 -333239.9681 21316.4507 0.0000 0.0000 40710.1056 -222195.5334 148.0922 -262905.6390 -222272.7009 148.0922 -905.3247 -2296.5621 921491.4634 -905.3247 -2296.5621
ENERGY: 116 20838.2583 21694.4196 5677.2615 215.2237 -333429.0368 21301.4964 0.0000 0.0000 41385.0931 -222317.2843 150.5476 -263702.3774 -222276.5257 150.5476 -2000.5239 -2380.1424 921491.4634 -2000.5239 -2380.1424
ENERGY: 117 19309.7303 21105.1712 5681.4214 219.0426 -333858.2254 21295.0741 0.0000 0.0000 43733.0003 -222514.7854 159.0886 -266247.7857 -222254.7025 159.0886 -3196.9894 -2479.5443 921491.4634 -3196.9894 -2479.5443
ENERGY: 118 19488.7485 20180.1711 5691.5867 220.7069 -334305.8418 21303.6951 0.0000 0.0000 44852.5145 -222568.4190 163.1611 -267420.9335 -222257.5958 163.1611 -4287.8519 -2560.8627 921491.4634 -4287.8519 -2560.8627
ENERGY: 119 21608.8170 19327.4369 5705.7183 220.1523 -334582.5767 21318.6507 0.0000 0.0000 43971.5397 -222430.2617 159.9564 -266401.8015 -222258.7219 159.9564 -4948.0952 -2603.4635 921491.4634 -4948.0952 -2603.4635
LDB: ============= START OF LOAD BALANCING ============== 63.7462
LDB: ============== END OF LOAD BALANCING =============== 63.7463
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.7467
TIMING: 120 CPU: 57.8546, 0.472371/step Wall: 57.8546, 0.472371/step, 0.0498614 hours remaining, 3221.789062 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 18843.5008 5721.1112 217.5091 -334559.3220 21317.8986 0.0000 0.0000 42838.0029 -222342.5511 155.8329 -265180.5540 -222260.9694 155.8329 -4802.3839 -2609.8233 921491.4634 -4802.3839 -2609.8233
ENERGY: 121 22753.8286 18833.9840 5735.1155 213.1885 -334109.3887 21287.1663 0.0000 0.0000 42902.9081 -222383.1977 156.0690 -265286.1058 -222238.8457 156.0690 -3789.7329 -2573.0323 921491.4634 -3789.7329 -2573.0323
ENERGY: 122 20911.3203 19183.7910 5744.9150 207.6394 -333246.0910 21235.0875 0.0000 0.0000 43471.2678 -222492.0699 158.1365 -265963.3377 -222236.2049 158.1365 -2259.2350 -2503.9465 921491.4634 -2259.2350 -2503.9465
ENERGY: 123 19716.6565 19702.2261 5748.9495 201.5075 -332195.6664 21181.3172 0.0000 0.0000 43159.1487 -222485.8611 157.0011 -265645.0098 -222233.3017 157.0011 -827.7756 -2423.1751 921491.4634 -827.7756 -2423.1751
ENERGY: 124 19701.7329 20151.8501 5747.1965 195.4812 -331340.9823 21138.0467 0.0000 0.0000 42008.6529 -222398.0218 152.8159 -264406.6748 -222234.8509 152.8159 8.3517 -2371.2952 921491.4634 8.3517 -2371.2952
ENERGY: 125 19961.8490 20319.7042 5741.5018 190.2907 -331002.3874 21106.9631 0.0000 0.0000 41347.6159 -222334.4628 150.4113 -263682.0788 -222218.5352 150.4113 16.1240 -2370.5229 921491.4634 16.1240 -2370.5229
ENERGY: 126 19913.8781 20060.3740 5734.4101 186.3237 -331257.3387 21089.4917 0.0000 0.0000 41888.6055 -222384.2556 152.3792 -264272.8612 -222220.0404 152.3792 -757.3346 -2430.8872 921491.4634 -757.3346 -2430.8872
ENERGY: 127 20034.1247 19457.5519 5728.8730 183.8512 -331985.2681 21088.4979 0.0000 0.0000 43047.2721 -222445.0973 156.5941 -265492.3693 -222223.2518 156.5941 -2122.5055 -2533.3235 921491.4634 -2122.5055 -2533.3235
ENERGY: 128 20681.9268 18818.3078 5727.0308 182.9174 -332977.2828 21101.0436 0.0000 0.0000 44006.3125 -222459.7439 160.0829 -266466.0564 -222232.5708 160.0829 -3698.9566 -2655.1908 921491.4634 -3698.9566 -2655.1908
ENERGY: 129 21368.2886 18554.7976 5729.8505 183.4688 -333997.8251 21115.0501 0.0000 0.0000 44607.0893 -222439.2803 162.2683 -267046.3695 -222215.2567 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 21553.6088 18898.7762 5736.4508 185.0194 -334776.0138 21118.0422 0.0000 0.0000 44811.1496 -222472.9668 163.0106 -267284.1164 -222216.5365 163.0106 -5536.0556 -2842.3154 921491.4634 -5536.0556 -2842.3154
ENERGY: 131 21530.9956 19804.6628 5745.0872 187.0957 -335083.2644 21105.7069 0.0000 0.0000 44221.5102 -222488.2060 160.8657 -266709.7162 -222215.1806 160.8657 -5164.7863 -2872.9597 921491.4634 -5164.7863 -2872.9597
ENERGY: 132 21696.5183 20951.9797 5753.4447 189.2233 -334841.7368 21081.3851 0.0000 0.0000 42732.1267 -222437.0591 155.4477 -265169.1858 -222222.8147 155.4477 -4015.6410 -2856.5553 921491.4634 -4015.6410 -2856.5553
ENERGY: 133 21569.7009 21939.4305 5759.4053 191.1377 -334187.7138 21049.8506 0.0000 0.0000 41346.5716 -222331.6173 150.4075 -263678.1889 -222209.0243 150.4075 -2436.6192 -2806.2333 921491.4634 -2436.6192 -2806.2333
ENERGY: 134 20380.1718 22407.7421 5761.0449 192.4922 -333420.8524 21018.0949 0.0000 0.0000 41320.1609 -222341.1456 150.3114 -263661.3065 -222206.0449 150.3114 -846.9779 -2759.4267 921491.4634 -846.9779 -2759.4267
ENERGY: 135 18735.1492 22221.9400 5757.7067 193.2251 -332860.3439 20999.0422 0.0000 0.0000 42497.1276 -222456.1531 154.5929 -264953.2807 -222204.4871 154.5929 191.9084 -2745.1432 921491.4634 191.9084 -2745.1432
ENERGY: 136 18381.4539 21453.0791 5750.0867 193.4037 -332655.7485 21006.3294 0.0000 0.0000 43348.3540 -222523.0417 157.6894 -265871.3957 -222211.0693 157.6894 198.1851 -2776.3542 921491.4634 198.1851 -2776.3542
ENERGY: 137 19975.5715 20347.8313 5740.3098 193.2572 -332832.5916 21040.1066 0.0000 0.0000 43092.4469 -222443.0682 156.7585 -265535.5152 -222209.8937 156.7585 -927.2503 -2841.0685 921491.4634 -927.2503 -2841.0685
ENERGY: 138 21874.8525 19195.4801 5730.8549 192.8766 -333203.4342 21083.5324 0.0000 0.0000 42784.9639 -222340.8738 155.6399 -265125.8377 -222213.1814 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
ENERGY: 139 22116.0297 18330.1125 5724.2506 192.4679 -333575.3361 21115.6333 0.0000 0.0000 43705.6788 -222391.1635 158.9892 -266096.8422 -222217.3488 158.9892 -4443.4109 -3015.1528 921491.4634 -4443.4109 -3015.1528
TIMING: 140 CPU: 67.2977, 0.472151/step Wall: 67.2977, 0.472151/step, 0.0472151 hours remaining, 3221.960938 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 20992.5978 17997.1578 5722.1741 192.2140 -333726.9441 21127.4061 0.0000 0.0000 45144.2512 -222551.1433 164.2224 -267695.3945 -222224.0361 164.2224 -5617.7628 -3080.3638 921491.4634 -5617.7628 -3080.3638
ENERGY: 141 20605.2148 18251.9195 5725.3083 192.2642 -333525.1323 21120.3060 0.0000 0.0000 45039.8863 -222590.2331 163.8427 -267630.1195 -222215.3920 163.8427 -6017.5038 -3087.0005 921491.4634 -6017.5038 -3087.0005
ENERGY: 142 21702.7399 18860.4298 5732.9228 192.6003 -332879.0279 21093.2714 0.0000 0.0000 42868.0674 -222428.9963 155.9422 -265297.0637 -222213.3920 155.9422 -5532.0375 -3029.5546 921491.4634 -5532.0375 -3029.5546
ENERGY: 143 22457.6178 19468.7636 5743.5741 193.1827 -331957.5931 21040.0377 0.0000 0.0000 40797.9948 -222256.4224 148.4119 -263054.4172 -222209.6223 148.4119 -4179.8276 -2928.5086 921491.4634 -4179.8276 -2928.5086
ENERGY: 144 21007.3339 19787.0058 5755.2166 193.9151 -331097.8394 20965.2215 0.0000 0.0000 41087.3102 -222301.8364 149.4643 -263389.1466 -222194.0940 149.4643 -2265.2406 -2825.3503 921491.4634 -2265.2406 -2825.3503
ENERGY: 145 18390.7600 19760.7602 5765.7577 194.6436 -330692.1921 20892.9233 0.0000 0.0000 43191.0817 -222496.2655 157.1173 -265687.3472 -222180.9591 157.1173 -495.5028 -2742.5238 921491.4634 -495.5028 -2742.5238
ENERGY: 146 17494.3905 19517.0964 5773.0763 195.1974 -330883.4474 20850.7305 0.0000 0.0000 44468.0626 -222584.8936 161.7626 -267052.9562 -222180.0852 161.7626 380.5832 -2698.3695 921491.4634 380.5832 -2698.3695
ENERGY: 147 19349.0815 19284.4053 5776.1299 195.3841 -331633.2791 20843.7952 0.0000 0.0000 43729.9298 -222454.5533 159.0775 -266184.4831 -222180.7855 159.0775 12.4495 -2697.6200 921491.4634 12.4495 -2697.6200
ENERGY: 148 21731.1609 19240.1452 5775.1361 195.0156 -332748.3463 20852.0477 0.0000 0.0000 42647.1434 -222307.6973 155.1386 -264954.8407 -222173.9043 155.1386 -1313.5163 -2742.2255 921491.4634 -1313.5163 -2742.2255
ENERGY: 149 22154.0983 19476.6233 5771.6403 193.9272 -333952.9659 20853.5364 0.0000 0.0000 43165.2619 -222337.8786 157.0234 -265503.1405 -222149.8014 157.0234 -2998.4813 -2814.2281 921491.4634 -2998.4813 -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 21015.8994 19956.3835 5767.3089 192.0924 -334899.3757 20845.5771 0.0000 0.0000 44606.5896 -222515.5247 162.2665 -267122.1143 -222153.2668 162.2665 -4472.9375 -2881.9211 921491.4634 -4472.9375 -2881.9211
ENERGY: 151 20656.1100 20586.9276 5763.7530 189.5631 -335303.4340 20835.7247 0.0000 0.0000 44710.6379 -222560.7178 162.6450 -267271.3557 -222155.1382 162.6450 -5407.8407 -2907.6331 921491.4634 -5407.8407 -2907.6331
ENERGY: 152 21757.0222 21203.4202 5761.8055 186.4838 -335072.1086 20820.7501 0.0000 0.0000 42914.6706 -222427.9562 156.1118 -265342.6268 -222175.0514 156.1118 -5552.0271 -2878.0875 921491.4634 -5552.0271 -2878.0875
ENERGY: 153 22396.4536 21618.6021 5761.5688 183.0547 -334307.6857 20787.1624 0.0000 0.0000 41296.2811 -222264.5630 150.2245 -263560.8441 -222152.0202 150.2245 -4765.4776 -2800.4121 921491.4634 -4765.4776 -2800.4121
ENERGY: 154 20952.1343 21640.3345 5761.9239 179.5647 -333344.9132 20735.3659 0.0000 0.0000 41746.1291 -222329.4607 151.8609 -264075.5898 -222148.7914 151.8609 -3178.1873 -2707.3605 921491.4634 -3178.1873 -2707.3605
ENERGY: 155 18734.5492 21249.5939 5761.4993 176.3183 -332564.0952 20691.4724 0.0000 0.0000 43448.4573 -222502.2050 158.0535 -265950.6623 -222145.9853 158.0535 -1408.3063 -2623.9032 921491.4634 -1408.3063 -2623.9032
ENERGY: 156 18312.4483 20599.9072 5758.8570 173.6449 -332218.9146 20684.3829 0.0000 0.0000 44137.5522 -222552.1219 160.5603 -266689.6741 -222166.8048 160.5603 -219.5095 -2571.5313 921491.4634 -219.5095 -2571.5313
ENERGY: 157 20043.0836 19943.2665 5753.0947 171.8900 -332363.0658 20715.7865 0.0000 0.0000 43325.6934 -222410.2511 157.6070 -265735.9446 -222155.5010 157.6070 -38.8544 -2554.7665 921491.4634 -38.8544 -2554.7665
ENERGY: 158 21695.0846 19425.3238 5743.5667 171.3409 -332829.8101 20761.5805 0.0000 0.0000 42713.6820 -222319.2316 155.3806 -265032.9136 -222157.3221 155.3806 -715.5936 -2586.7969 921491.4634 -715.5936 -2586.7969
ENERGY: 159 21695.6537 19084.6409 5730.9315 172.1899 -333376.4007 20800.7930 0.0000 0.0000 43483.6004 -222408.5913 158.1814 -265892.1917 -222160.0970 158.1814 -1882.1013 -2660.7875 921491.4634 -1882.1013 -2660.7875
TIMING: 160 CPU: 76.7274, 0.471484/step Wall: 76.7274, 0.471484/step, 0.0445291 hours remaining, 3222.101562 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 21093.2845 18859.3045 5717.0749 174.4916 -333735.9155 20833.5471 0.0000 0.0000 44515.8595 -222542.3534 161.9365 -267058.2129 -222175.6787 161.9365 -3202.8706 -2752.7604 921491.4634 -3202.8706 -2752.7604
ENERGY: 161 21561.6002 18685.5959 5704.9782 178.2042 -333710.7598 20865.7132 0.0000 0.0000 44220.7113 -222493.9567 160.8628 -266714.6681 -222160.9739 160.8628 -4385.1102 -2823.4851 921491.4634 -4385.1102 -2823.4851
ENERGY: 162 22512.8124 18508.1493 5697.2826 183.0024 -333202.6497 20887.8857 0.0000 0.0000 43070.6068 -222342.9105 156.6790 -265413.5173 -222161.4907 156.6790 -5004.1553 -2859.8870 921491.4634 -5004.1553 -2859.8870
ENERGY: 163 21937.9851 18346.8657 5696.1509 188.4544 -332368.8224 20884.6196 0.0000 0.0000 43005.6962 -222309.0506 156.4429 -265314.7468 -222160.7802 156.4429 -4776.8219 -2868.7270 921491.4634 -4776.8219 -2868.7270
ENERGY: 164 19652.8065 18261.0401 5702.5306 194.0206 -331567.4468 20861.9109 0.0000 0.0000 44426.5343 -222468.6038 161.6115 -266895.1381 -222170.9033 161.6115 -3836.1731 -2870.4448 921491.4634 -3836.1731 -2870.4448
ENERGY: 165 18074.0952 18343.8151 5716.1638 199.2019 -331183.0465 20849.6743 0.0000 0.0000 45425.8563 -222574.2400 165.2468 -268000.0962 -222153.1697 165.2468 -2737.5185 -2867.1446 921491.4634 -2737.5185 -2867.1446
ENERGY: 166 18979.7069 18650.1655 5734.9735 203.3281 -331407.1001 20870.8939 0.0000 0.0000 44483.6889 -222484.3434 161.8194 -266968.0323 -222151.2326 161.8194 -1964.3635 -2870.3839 921491.4634 -1964.3635 -2870.3839
ENERGY: 167 21026.8305 19216.2868 5755.9248 205.8794 -332212.1860 20917.6388 0.0000 0.0000 42775.8062 -222313.8194 155.6066 -265089.6257 -222150.5297 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 42492.3350 -222325.8217 154.5754 -264818.1567 -222149.7708 154.5754 -1735.9905 -2933.5976 921491.4634 -1735.9905 -2933.5976
ENERGY: 169 20648.4666 20870.4069 5789.9166 204.9287 -334596.5071 20994.5723 0.0000 0.0000 43600.1909 -222488.0252 158.6055 -266088.2161 -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 20485.0015 21574.3800 5797.0542 201.1981 -335480.2502 21017.8094 0.0000 0.0000 43834.2688 -222570.5383 159.4570 -266404.8070 -222135.2421 159.4570 -2696.1968 -3030.4961 921491.4634 -2696.1968 -3030.4961
ENERGY: 171 22225.3641 21884.1725 5796.1347 195.5169 -335757.0015 21036.7488 0.0000 0.0000 42205.8540 -222413.2105 153.5333 -264619.0644 -222135.5893 153.5333 -3373.1626 -3035.3578 921491.4634 -3373.1626 -3035.3578
ENERGY: 172 23612.5240 21689.2903 5788.4217 188.3823 -335345.7507 21036.2039 0.0000 0.0000 40787.7258 -222243.2027 148.3745 -263030.9285 -222132.3043 148.3745 -3754.4378 -3004.4812 921491.4634 -3754.4378 -3004.4812
ENERGY: 173 22089.5491 21081.4670 5776.7002 180.5475 -334414.6776 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 -333314.9340 20954.5022 0.0000 0.0000 44924.4952 -222548.9279 163.4230 -267473.4231 -222120.6680 163.4230 -3086.0086 -2871.4630 921491.4634 -3086.0086 -2871.4630
ENERGY: 175 17219.9375 19455.5735 5752.1494 165.6559 -332464.6995 20928.3118 0.0000 0.0000 46291.0143 -222652.0570 168.3940 -268943.0714 -222120.1887 168.3940 -2676.4054 -2794.4451 921491.4634 -2676.4054 -2794.4451
ENERGY: 176 19195.1038 18891.7629 5743.5896 160.0071 -332124.2127 20943.2095 0.0000 0.0000 44722.5120 -222468.0278 162.6882 -267190.5398 -222127.3369 162.6882 -2658.3220 -2727.5044 921491.4634 -2658.3220 -2727.5044
ENERGY: 177 21863.3195 18664.1735 5738.9484 156.2659 -332371.2411 20981.6518 0.0000 0.0000 42714.2625 -222252.6195 155.3827 -264966.8820 -222125.5136 155.3827 -2870.6846 -2681.8089 921491.4634 -2870.6846 -2681.8089
ENERGY: 178 21917.7900 18733.9559 5737.6245 154.5770 -332975.2975 21015.2133 0.0000 0.0000 43101.1545 -222314.9824 156.7902 -265416.1369 -222126.1321 156.7902 -2936.2257 -2665.7683 921491.4634 -2936.2257 -2665.7683
ENERGY: 179 20058.5721 19018.0839 5738.2698 154.9022 -333648.1819 21038.3004 0.0000 0.0000 45070.9164 -222569.1371 163.9556 -267640.0535 -222127.1793 163.9556 -2805.2709 -2668.3444 921491.4634 -2805.2709 -2668.3444
TIMING: 180 CPU: 86.1455, 0.470906/step Wall: 86.1455, 0.470906/step, 0.0418583 hours remaining, 3222.242188 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 19770.2944 19384.7963 5738.8341 156.9935 -334084.3525 21065.2916 0.0000 0.0000 45324.2214 -222643.9211 164.8771 -267968.1425 -222142.6344 164.8771 -2684.8630 -2671.3561 921491.4634 -2684.8630 -2671.3561
ENERGY: 181 22122.8094 19693.8082 5737.3498 160.4696 -334134.1968 21097.1422 0.0000 0.0000 42906.0430 -222416.5746 156.0804 -265322.6176 -222134.4682 156.0804 -2655.0378 -2656.7563 921491.4634 -2655.0378 -2656.7563
ENERGY: 182 23922.3455 19800.0772 5732.0748 164.8150 -333691.2983 21109.5294 0.0000 0.0000 40770.0180 -222192.4384 148.3101 -262962.4564 -222132.7634 148.3101 -2461.5986 -2635.7203 921491.4634 -2461.5986 -2635.7203
ENERGY: 183 22149.3486 19677.1534 5722.7616 169.5349 -332921.8736 21084.4911 0.0000 0.0000 41834.8234 -222283.7607 152.1836 -264118.5841 -222131.2590 152.1836 -1990.8045 -2626.5158 921491.4634 -1990.8045 -2626.5158
ENERGY: 184 18376.8756 19424.9916 5710.5469 174.1844 -332181.9080 21042.4479 0.0000 0.0000 44880.5526 -222572.3091 163.2631 -267452.8617 -222144.6143 163.2631 -1576.6175 -2645.2274 921491.4634 -1576.6175 -2645.2274
ENERGY: 185 16957.7744 19234.6874 5697.7241 178.4155 -331895.6962 21023.9443 0.0000 0.0000 46149.4987 -222653.6519 167.8792 -268803.1505 -222128.1656 167.8792 -1752.9882 -2679.2077 921491.4634 -1752.9882 -2679.2077
ENERGY: 186 19266.0405 19234.9571 5686.4352 181.9571 -332240.0938 21043.7459 0.0000 0.0000 44391.5887 -222435.3692 161.4844 -266826.9579 -222129.2888 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2967 19471.4304 5678.7398 184.6336 -333156.1128 21076.9265 0.0000 0.0000 42449.0056 -222222.0802 154.4178 -264671.0858 -222130.9080 154.4178 -3641.8537 -2802.0867 921491.4634 -3641.8537 -2802.0867
ENERGY: 188 22101.1831 19886.6773 5676.0120 186.3502 -334382.7613 21093.9044 0.0000 0.0000 43113.1615 -222325.4728 156.8338 -265438.6343 -222135.3910 156.8338 -4316.2656 -2887.0591 921491.4634 -4316.2656 -2887.0591
ENERGY: 189 20394.2464 20391.8601 5678.8863 187.1154 -335558.5042 21096.5840 0.0000 0.0000 45245.6387 -222564.1734 164.5912 -267809.8120 -222116.4326 164.5912 -4451.6371 -2950.0786 921491.4634 -4451.6371 -2950.0786
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 190 20342.0727 20848.4447 5686.3597 187.0164 -336318.7433 21106.5487 0.0000 0.0000 45533.2634 -222615.0377 165.6375 -268148.3011 -222116.1593 165.6375 -4141.9211 -2962.8210 921491.4634 -4141.9211 -2962.8210
ENERGY: 191 22534.8505 21157.2824 5696.5257 186.2614 -336419.5250 21124.8644 0.0000 0.0000 43330.7337 -222389.0069 157.6253 -265719.7406 -222114.1143 157.6253 -3471.5977 -2915.5481 921491.4634 -3471.5977 -2915.5481
ENERGY: 192 23768.4829 21244.3746 5706.8010 185.1520 -335814.4789 21125.1404 0.0000 0.0000 41560.2538 -222224.2743 151.1848 -263784.5281 -222108.6420 151.1848 -2412.4655 -2830.7903 921491.4634 -2412.4655 -2830.7903
ENERGY: 193 21710.8594 21097.1071 5714.9848 184.0569 -334711.3256 21092.9042 0.0000 0.0000 42578.8348 -222332.5784 154.8901 -264911.4132 -222093.8904 154.8901 -1181.4694 -2735.1546 921491.4634 -1181.4694 -2735.1546
ENERGY: 194 18383.3649 20711.5281 5719.3482 183.2863 -333492.4630 21054.1040 0.0000 0.0000 44867.8134 -222573.0181 163.2168 -267440.8315 -222092.1690 163.2168 -314.8315 -2651.4482 921491.4634 -314.8315 -2651.4482
ENERGY: 195 17581.7011 20169.9815 5719.7968 183.0839 -332603.8307 21048.2209 0.0000 0.0000 45307.7484 -222593.2982 164.8171 -267901.0465 -222091.6063 164.8171 -398.0877 -2592.7756 921491.4634 -398.0877 -2592.7756
ENERGY: 196 19755.8661 19594.9319 5717.4229 183.5644 -332319.6952 21082.8579 0.0000 0.0000 43603.6155 -222381.4364 158.6180 -265985.0519 -222096.3130 158.6180 -1480.5940 -2574.8092 921491.4634 -1480.5940 -2574.8092
ENERGY: 197 21700.3670 19122.7580 5714.1451 184.7200 -332668.2733 21129.4588 0.0000 0.0000 42574.3654 -222242.4590 154.8738 -264816.8245 -222086.7183 154.8738 -3040.7437 -2596.5494 921491.4634 -3040.7437 -2596.5494
ENERGY: 198 21224.0062 18800.3005 5711.3574 186.3640 -333385.5000 21161.1533 0.0000 0.0000 43911.2863 -222391.0323 159.7372 -266302.3186 -222090.4395 159.7372 -4381.6809 -2646.7680 921491.4634 -4381.6809 -2646.7680
ENERGY: 199 20113.4050 18634.4039 5710.3429 188.2374 -334151.8590 21182.1777 0.0000 0.0000 45722.9588 -222600.3333 166.3276 -268323.2921 -222093.2754 166.3276 -5152.2286 -2691.5412 921491.4634 -5152.2286 -2691.5412
LDB: ============= START OF LOAD BALANCING ============== 101.458
LDB: Largest compute 200 load 0.424257 is 1.2% of average load 36.590187
LDB: Average compute 0.051252 is 0.1% of average load 36.590187
LDB: TIME 101.46 LOAD: AVG 36.5902 MAX 37.7116 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.58 MB
LDB: TIME 101.462 LOAD: AVG 36.5902 MAX 37.5222 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.58 MB
LDB: ============== END OF LOAD BALANCING =============== 101.464
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.467
Info: Initial time: 4 CPUs 0.47152 s/step 5.4574 days/ns 3223.6 MB memory
TIMING: 200 CPU: 95.5689, 0.471171/step Wall: 95.5689, 0.471171/step, 0.0392642 hours remaining, 3223.597656 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 21073.6837 18595.6349 5711.8747 190.0258 -334670.2814 21209.9247 0.0000 0.0000 45319.1601 -222569.9774 164.8586 -267889.1375 -222114.5247 164.8586 -5241.8526 -2703.6813 921491.4634 -5241.8526 -2703.6813
ENERGY: 201 23380.1029 18674.3333 5716.2802 191.4189 -334751.7134 21239.1340 0.0000 0.0000 43222.4696 -222327.9745 157.2315 -265550.4441 -222100.1081 157.2315 -4546.2005 -2661.1901 921491.4634 -4546.2005 -2661.1901
ENERGY: 202 23622.8116 18850.8450 5722.5980 192.1474 -334305.3009 21243.2751 0.0000 0.0000 42432.5588 -222241.0649 154.3580 -264673.6238 -222096.8293 154.3580 -3005.0518 -2588.0014 921491.4634 -3005.0518 -2588.0014
ENERGY: 203 20743.8945 19130.0390 5729.2400 192.0764 -333501.9375 21215.8254 0.0000 0.0000 44059.6985 -222431.1636 160.2771 -266490.8622 -222093.6429 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
ENERGY: 204 17862.6125 19486.9557 5734.1463 191.2124 -332722.2196 21188.8402 0.0000 0.0000 45629.4718 -222628.9807 165.9875 -268258.4525 -222116.7000 165.9875 452.9934 -2462.2928 921491.4634 452.9934 -2462.2928
ENERGY: 205 18189.0790 19868.9414 5735.7153 189.6741 -332398.2548 21197.9185 0.0000 0.0000 44690.7149 -222526.2115 162.5725 -267216.9263 -222099.8058 162.5725 731.8536 -2447.6352 921491.4634 731.8536 -2447.6352
ENERGY: 206 20668.8901 20170.9986 5732.9811 187.6404 -332716.3431 21241.8391 0.0000 0.0000 42439.0585 -222274.9354 154.3816 -264713.9939 -222100.3395 154.3816 -230.6567 -2488.2936 921491.4634 -230.6567 -2488.2936
ENERGY: 207 21693.8032 20338.2890 5726.5434 185.3060 -333603.9788 21289.9001 0.0000 0.0000 42143.6914 -222226.4457 153.3072 -264370.1371 -222103.0930 153.3072 -1896.3478 -2585.9682 921491.4634 -1896.3478 -2585.9682
ENERGY: 208 20293.2704 20371.8902 5718.1572 182.8654 -334789.2379 21322.2410 0.0000 0.0000 44428.6270 -222472.1867 161.6191 -266900.8137 -222122.6316 161.6191 -3669.0643 -2719.7952 921491.4634 -3669.0643 -2719.7952
ENERGY: 209 19428.8172 20325.0057 5710.3389 180.5135 -335910.2415 21349.5044 0.0000 0.0000 46273.6800 -222642.3817 168.3309 -268916.0618 -222106.7903 168.3309 -5197.7275 -2836.6306 921491.4634 -5197.7275 -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 21385.1735 20194.2567 5705.3139 178.4614 -336615.7769 21385.1096 0.0000 0.0000 45251.4335 -222516.0284 164.6123 -267767.4618 -222108.2018 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
ENERGY: 211 24099.1927 19985.8630 5704.9373 176.9105 -336667.8928 21415.1477 0.0000 0.0000 43031.7286 -222254.1130 156.5376 -265285.8416 -222106.8543 156.5376 -5900.2977 -2885.1010 921491.4634 -5900.2977 -2885.1010
ENERGY: 212 23739.2709 19730.8221 5710.0295 176.0352 -336013.6225 21412.5983 0.0000 0.0000 42995.1638 -222249.7026 156.4046 -265244.8664 -222104.2319 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2160 19524.5248 5720.1722 175.9508 -334874.6441 21380.5552 0.0000 0.0000 45418.7804 -222504.4447 165.2210 -267923.2251 -222097.3835 165.2210 -2174.3116 -2725.0840 921491.4634 -2174.3116 -2725.0840
ENERGY: 214 17315.5529 19421.7448 5733.3059 176.6827 -333645.3934 21358.4485 0.0000 0.0000 46958.4701 -222681.1885 170.8220 -269639.6586 -222093.7407 170.8220 -143.6684 -2626.0578 921491.4634 -143.6684 -2626.0578
ENERGY: 215 18210.5055 19441.9743 5746.5772 178.1492 -332787.3320 21379.5596 0.0000 0.0000 45302.6745 -222527.8917 164.7987 -267830.5662 -222091.0447 164.7987 784.0016 -2554.0367 921491.4634 784.0016 -2554.0367
ENERGY: 216 20973.4716 19522.5061 5756.9571 180.1770 -332560.1060 21436.4836 0.0000 0.0000 42442.1788 -222248.3318 154.3930 -264690.5106 -222073.6156 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3868 19581.4820 5762.2416 182.5517 -333010.6758 21497.2706 0.0000 0.0000 41983.6750 -222225.0682 152.7251 -264208.7432 -222064.4464 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9159 19540.0890 5761.2415 184.9927 -333856.1147 21546.6561 0.0000 0.0000 44178.6835 -222478.5360 160.7099 -266657.2196 -222068.8155 160.7099 -2628.0653 -2703.9746 921491.4634 -2628.0653 -2703.9746
ENERGY: 219 19429.8641 19413.3931 5754.3577 187.2447 -334778.0709 21596.8809 0.0000 0.0000 45751.9297 -222644.4007 166.4329 -268396.3304 -222073.1720 166.4329 -4457.7332 -2810.5236 921491.4634 -4457.7332 -2810.5236
TIMING: 220 CPU: 104.985, 0.470816/step Wall: 104.985, 0.470816/step, 0.036619 hours remaining, 3223.597656 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 19260.1136 5743.1672 189.1021 -335473.8432 21655.3184 0.0000 0.0000 44539.5739 -222505.6535 162.0227 -267045.2275 -222092.6289 162.0227 -5898.3511 -2876.6576 921491.4634 -5898.3511 -2876.6576
ENERGY: 221 24234.7390 19146.8278 5730.1601 190.4777 -335718.7274 21699.4244 0.0000 0.0000 42467.0189 -222250.0793 154.4833 -264717.0983 -222077.7835 154.4833 -6342.7096 -2884.3551 921491.4634 -6342.7096 -2884.3551
ENERGY: 222 23735.1223 19085.7308 5717.7679 191.2893 -335388.9912 21700.3077 0.0000 0.0000 42702.0389 -222256.7343 155.3383 -264958.7732 -222075.6638 155.3383 -5368.7277 -2838.7015 921491.4634 -5368.7277 -2838.7015
ENERGY: 223 20286.4336 19110.8426 5708.3528 191.5578 -334633.3911 21665.5242 0.0000 0.0000 45168.7531 -222501.9270 164.3115 -267670.6800 -222072.2457 164.3115 -3322.8074 -2753.9474 921491.4634 -3322.8074 -2753.9474
ENERGY: 224 17721.9817 19276.3017 5703.4616 191.3517 -333831.1557 21637.4893 0.0000 0.0000 46650.8780 -222649.6917 169.7031 -269300.5697 -222098.2847 169.7031 -1151.0968 -2650.6854 921491.4634 -1151.0968 -2650.6854
ENERGY: 225 18451.5607 19639.7348 5703.5482 190.8346 -333424.4646 21647.4588 0.0000 0.0000 45301.5806 -222489.7468 164.7947 -267791.3274 -222079.9379 164.7947 226.2574 -2563.9720 921491.4634 226.2574 -2563.9720
ENERGY: 226 20569.7732 20147.6374 5707.2430 190.0457 -333606.5694 21686.9380 0.0000 0.0000 43034.1678 -222270.7643 156.5465 -265304.9321 -222078.6804 156.5465 530.9033 -2526.3323 921491.4634 530.9033 -2526.3323
ENERGY: 227 21011.1677 20670.4532 5712.3895 189.0769 -334317.7220 21728.2284 0.0000 0.0000 42721.7944 -222284.6119 155.4101 -265006.4063 -222080.2097 155.4101 -104.6490 -2553.6074 921491.4634 -104.6490 -2553.6074
ENERGY: 228 19866.2930 21035.8343 5716.6482 188.0080 -335312.4267 21761.2923 0.0000 0.0000 44242.5384 -222501.8123 160.9422 -266744.3507 -222102.7892 160.9422 -1440.0183 -2625.9673 921491.4634 -1440.0183 -2625.9673
ENERGY: 229 19874.0814 21137.5587 5718.5477 187.0043 -336264.4468 21796.8120 0.0000 0.0000 44976.5835 -222573.8591 163.6124 -267550.4426 -222086.0490 163.6124 -3234.4609 -2710.7215 921491.4634 -3234.4609 -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 21999.2456 20926.2538 5717.1889 185.9786 -336838.6564 21834.6450 0.0000 0.0000 43751.0551 -222424.2894 159.1543 -266175.3445 -222088.6909 159.1543 -4902.3780 -2766.0557 921491.4634 -4902.3780 -2766.0557
ENERGY: 231 23806.6618 20470.3273 5713.0793 184.9073 -336794.0751 21849.7233 0.0000 0.0000 42506.4014 -222262.9747 154.6266 -264769.3761 -222089.4822 154.6266 -5730.6842 -2773.7615 921491.4634 -5730.6842 -2773.7615
ENERGY: 232 22812.6531 19886.6602 5707.7133 183.7520 -336072.1014 21820.0135 0.0000 0.0000 43315.5692 -222345.7401 157.5701 -265661.3093 -222098.2755 157.5701 -5301.5936 -2731.4986 921491.4634 -5301.5936 -2731.4986
ENERGY: 233 20035.6404 19318.2043 5703.4910 182.6157 -334889.2829 21760.7376 0.0000 0.0000 45350.0986 -222538.4953 164.9712 -267888.5939 -222089.6822 164.9712 -3899.2116 -2646.7386 921491.4634 -3899.2116 -2646.7386
ENERGY: 234 18553.6065 18856.0076 5702.3325 181.3395 -333642.4870 21712.9298 0.0000 0.0000 46049.0872 -222587.1839 167.5139 -268636.2712 -222086.3330 167.5139 -2187.7191 -2534.9736 921491.4634 -2187.7191 -2534.9736
ENERGY: 235 19419.0963 18603.4160 5705.8180 179.9133 -332789.1747 21702.6095 0.0000 0.0000 44750.4958 -222427.8257 162.7900 -267178.3215 -222083.1203 162.7900 -820.1735 -2429.4348 921491.4634 -820.1735 -2429.4348
ENERGY: 236 20566.0776 18629.1000 5714.2865 178.3391 -332585.8845 21721.5011 0.0000 0.0000 43477.4014 -222299.1787 158.1588 -265776.5801 -222073.0119 158.1588 -108.6481 -2371.7043 921491.4634 -108.6481 -2371.7043
ENERGY: 237 20196.0058 18940.2030 5726.8243 176.7459 -333068.3184 21749.0156 0.0000 0.0000 43898.3779 -222381.1459 159.6902 -266279.5238 -222063.3605 159.6902 -172.1588 -2373.2011 921491.4634 -172.1588 -2373.2011
ENERGY: 238 19419.4414 19404.0884 5740.6977 175.0128 -333964.3151 21778.9043 0.0000 0.0000 44901.2437 -222544.9270 163.3384 -267446.1706 -222065.9778 163.3384 -987.6014 -2425.5309 921491.4634 -987.6014 -2425.5309
ENERGY: 239 20428.8617 19846.5440 5752.8836 173.1946 -334966.8378 21816.7508 0.0000 0.0000 44416.4634 -222532.1397 161.5749 -266948.6031 -222068.9825 161.5749 -2385.1782 -2499.0796 921491.4634 -2385.1782 -2499.0796
TIMING: 240 CPU: 114.396, 0.470527/step Wall: 114.396, 0.470527/step, 0.0339825 hours remaining, 3223.597656 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 22861.0421 20119.9135 5760.6910 171.4213 -335766.3625 21854.4252 0.0000 0.0000 42641.4776 -222357.3919 155.1180 -264998.8695 -222074.0952 155.1180 -3844.9086 -2568.3896 921491.4634 -3844.9086 -2568.3896
ENERGY: 241 23920.0053 20195.4873 5762.7124 169.9828 -336129.3251 21865.1031 0.0000 0.0000 41957.8935 -222258.1407 152.6313 -264216.0342 -222063.9158 152.6313 -4724.4492 -2616.3453 921491.4634 -4724.4492 -2616.3453
ENERGY: 242 22110.7716 20111.8209 5758.5348 169.0441 -335904.8195 21831.0567 0.0000 0.0000 43526.8719 -222396.7195 158.3388 -265923.5914 -222063.5736 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
ENERGY: 243 19462.3620 19969.6446 5749.3614 168.8705 -335233.7066 21770.4747 0.0000 0.0000 45537.0689 -222575.9245 165.6513 -268112.9934 -222061.6674 165.6513 -3760.4504 -2614.6992 921491.4634 -3760.4504 -2614.6992
ENERGY: 244 18822.2463 19849.3934 5737.4544 169.6534 -334482.6007 21720.5675 0.0000 0.0000 45629.1663 -222554.1193 165.9864 -268183.2856 -222078.7770 165.9864 -2667.7297 -2573.2150 921491.4634 -2667.7297 -2573.2150
ENERGY: 245 20148.2367 19811.7599 5725.7785 171.4559 -334087.5944 21701.2469 0.0000 0.0000 44168.5249 -222360.5916 160.6730 -266529.1165 -222068.6364 160.6730 -1771.6900 -2533.5455 921491.4634 -1771.6900 -2533.5455
ENERGY: 246 20878.5481 19853.7024 5716.8932 174.1558 -334213.1204 21705.0850 0.0000 0.0000 43600.4183 -222284.3177 158.6063 -265884.7360 -222067.4294 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5288 19979.6440 5712.7400 177.5412 -334802.1841 21719.8454 0.0000 0.0000 44912.1912 -222431.6936 163.3782 -267343.8848 -222068.1393 163.3782 -983.0001 -2552.5931 921491.4634 -983.0001 -2552.5931
ENERGY: 248 19035.4926 20164.4296 5713.8450 181.3144 -335623.1355 21746.4310 0.0000 0.0000 46185.9362 -222595.6866 168.0117 -268781.6229 -222090.3128 168.0117 -1359.1248 -2608.3066 921491.4634 -1359.1248 -2608.3066
ENERGY: 249 20484.3306 20353.6193 5719.1623 185.0800 -336433.0068 21788.9033 0.0000 0.0000 45370.8153 -222531.0960 165.0466 -267901.9113 -222082.9712 165.0466 -2308.0287 -2671.2386 921491.4634 -2308.0287 -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 23155.2057 20422.5257 5726.1009 188.5682 -336907.4410 21832.9288 0.0000 0.0000 43252.1659 -222329.9459 157.3395 -265582.1118 -222084.2880 157.3395 -3365.2096 -2722.3880 921491.4634 -3365.2096 -2722.3880
ENERGY: 251 24002.1398 20302.5996 5731.6573 191.5295 -336816.8448 21849.8672 0.0000 0.0000 42475.2391 -222263.8122 154.5132 -264739.0513 -222084.8991 154.5132 -3958.0339 -2753.0724 921491.4634 -3958.0339 -2753.0724
ENERGY: 252 21994.9042 20013.1599 5733.2541 193.8023 -336093.2673 21826.9295 0.0000 0.0000 43905.3719 -222425.8455 159.7157 -266331.2173 -222091.3304 159.7157 -3843.4681 -2758.0338 921491.4634 -3843.4681 -2758.0338
ENERGY: 253 19499.8637 19667.1122 5729.5496 195.2411 -334977.1802 21784.0536 0.0000 0.0000 45520.0191 -222581.3410 165.5893 -268101.3601 -222082.7203 165.5893 -3300.1272 -2735.8131 921491.4634 -3300.1272 -2735.8131
ENERGY: 254 19073.0880 19348.2295 5720.5008 195.9622 -333839.8793 21752.6523 0.0000 0.0000 45220.9195 -222528.5270 164.5013 -267749.4465 -222080.4684 164.5013 -2707.1335 -2696.1701 921491.4634 -2707.1335 -2696.1701
ENERGY: 255 20324.2310 19109.4101 5707.6062 196.0620 -333099.9228 21746.1515 0.0000 0.0000 43667.4212 -222349.0409 158.8501 -266016.4620 -222078.3974 158.8501 -2282.5423 -2662.7814 921491.4634 -2282.5423 -2662.7814
ENERGY: 256 20899.4410 18950.9577 5693.4518 195.6570 -332975.5971 21757.6847 0.0000 0.0000 43181.1611 -222297.2438 157.0812 -265478.4050 -222071.2740 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5655 18878.1873 5681.1759 194.7976 -333481.0039 21780.2419 0.0000 0.0000 44488.5467 -222428.4891 161.8371 -266917.0358 -222060.1684 161.8371 -2035.5363 -2692.1442 921491.4634 -2035.5363 -2692.1442
ENERGY: 258 19453.5868 18882.0666 5673.2911 193.6684 -334373.1545 21817.5077 0.0000 0.0000 45796.2577 -222556.7763 166.5942 -268353.0340 -222062.0609 166.5942 -2331.2329 -2737.1920 921491.4634 -2331.2329 -2737.1920
ENERGY: 259 20717.7709 18984.1029 5671.3007 192.3773 -335369.5278 21871.0066 0.0000 0.0000 45431.1555 -222501.8139 165.2661 -267932.9694 -222063.7307 165.2661 -2890.3671 -2780.4961 921491.4634 -2890.3671 -2780.4961
TIMING: 260 CPU: 123.793, 0.469877/step Wall: 123.793, 0.469877/step, 0.0313251 hours remaining, 3223.902344 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 22744.9543 19188.2462 5675.1876 191.0393 -336169.7730 21924.7893 0.0000 0.0000 44083.4305 -222362.1258 160.3634 -266445.5563 -222069.6814 160.3634 -3407.4794 -2810.9878 921491.4634 -3407.4794 -2810.9878
ENERGY: 261 23215.5574 19485.4655 5683.6413 189.7700 -336523.9801 21953.3902 0.0000 0.0000 43676.0232 -222320.1325 158.8814 -265996.1557 -222052.8238 158.8814 -3555.3695 -2822.8648 921491.4634 -3555.3695 -2822.8648
ENERGY: 262 21606.2725 19814.6777 5694.0656 188.7122 -336291.7860 21947.6074 0.0000 0.0000 44601.6345 -222438.8162 162.2485 -267040.4506 -222052.4325 162.2485 -3214.7561 -2810.4637 921491.4634 -3214.7561 -2810.4637
ENERGY: 263 19781.1228 20140.5622 5703.8103 187.9445 -335614.9714 21924.4740 0.0000 0.0000 45349.7771 -222527.2806 164.9700 -267877.0577 -222051.1549 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2258 20436.4305 5710.6950 187.5052 -334855.9510 21907.7772 0.0000 0.0000 44751.4785 -222476.8388 162.7936 -267228.3173 -222069.1982 162.7936 -2191.1926 -2723.5294 921491.4634 -2191.1926 -2723.5294
ENERGY: 265 19946.8414 20681.9925 5713.6241 187.4392 -334395.6631 21906.0163 0.0000 0.0000 43607.6376 -222352.1120 158.6326 -265959.7495 -222054.3371 158.6326 -2038.0572 -2683.6035 921491.4634 -2038.0572 -2683.6035
ENERGY: 266 20048.7900 20788.8700 5712.1327 187.6137 -334399.4577 21914.4805 0.0000 0.0000 43399.3797 -222348.1911 157.8750 -265747.5708 -222054.3633 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0907 20691.2678 5707.0583 187.8501 -334831.4857 21930.8374 0.0000 0.0000 44220.2169 -222446.1645 160.8610 -266666.3814 -222055.6583 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9162 20375.7516 5700.1930 187.9286 -335513.7453 21959.1257 0.0000 0.0000 44823.5378 -222504.2924 163.0557 -267327.8302 -222075.9875 163.0557 -2903.2126 -2658.6181 921491.4634 -2903.2126 -2658.6181
ENERGY: 269 21396.7813 19927.1703 5694.0390 187.7639 -336221.0665 21997.2160 0.0000 0.0000 44586.5100 -222431.5859 162.1935 -267018.0959 -222066.1974 162.1935 -3401.4130 -2647.2950 921491.4634 -3401.4130 -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 22620.1933 19450.9169 5690.3173 187.1618 -336650.6777 22028.8070 0.0000 0.0000 44308.0076 -222365.2738 161.1804 -266673.2814 -222067.0435 161.1804 -3583.3634 -2617.7583 921491.4634 -3583.3634 -2617.7583
ENERGY: 271 22345.5823 19078.8067 5690.0209 186.1610 -336571.7894 22035.2501 0.0000 0.0000 44829.4472 -222406.5212 163.0772 -267235.9684 -222066.8386 163.0772 -3261.2175 -2569.2622 921491.4634 -3261.2175 -2569.2622
ENERGY: 272 21021.5584 18896.0663 5692.8269 184.9335 -335921.4615 22015.0579 0.0000 0.0000 45607.7076 -222503.3109 165.9083 -268111.0185 -222081.1571 165.9083 -2551.9683 -2501.8805 921491.4634 -2551.9683 -2501.8805
ENERGY: 273 20123.2135 18932.9081 5697.5118 183.8526 -334925.7011 21985.5296 0.0000 0.0000 45502.7161 -222499.9694 165.5264 -268002.6855 -222069.0458 165.5264 -1837.1974 -2434.6760 921491.4634 -1837.1974 -2434.6760
ENERGY: 274 20074.7415 19121.4862 5701.6806 183.0070 -333931.6256 21965.2976 0.0000 0.0000 44478.5176 -222406.8951 161.8006 -266885.4126 -222066.8027 161.8006 -1366.5212 -2384.6634 921491.4634 -1366.5212 -2384.6634
ENERGY: 275 20005.4317 19374.0680 5703.3424 182.5376 -333318.5601 21960.8299 0.0000 0.0000 43741.9682 -222350.3823 159.1213 -266092.3506 -222065.7691 159.1213 -1269.7930 -2374.8869 921491.4634 -1269.7930 -2374.8869
ENERGY: 276 19401.8502 19594.7507 5701.2547 182.4904 -333292.1280 21971.0409 0.0000 0.0000 44028.5270 -222412.2140 160.1637 -266440.7411 -222072.9395 160.1637 -1580.1300 -2417.6040 921491.4634 -1580.1300 -2417.6040
ENERGY: 277 19149.2973 19724.7159 5695.5210 182.9396 -333864.3452 21997.2387 0.0000 0.0000 44632.8110 -222481.8218 162.3619 -267114.6327 -222061.0988 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4577 19713.7759 5686.9122 183.6585 -334821.1002 22041.3359 0.0000 0.0000 44532.2539 -222463.7061 161.9961 -266995.9600 -222063.4131 161.9961 -3254.8157 -2593.7696 921491.4634 -3254.8157 -2593.7696
ENERGY: 279 21984.3650 19593.9430 5677.5176 184.5187 -335888.5799 22096.4199 0.0000 0.0000 43975.0878 -222376.7279 159.9693 -266351.8158 -222065.2024 159.9693 -4044.3214 -2682.8389 921491.4634 -4044.3214 -2682.8389
TIMING: 280 CPU: 133.18, 0.469326/step Wall: 133.18, 0.469326/step, 0.0286811 hours remaining, 3223.902344 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 22859.3231 19458.4366 5670.0026 185.3899 -336752.6629 22145.1354 0.0000 0.0000 44066.7336 -222367.6417 160.3027 -266434.3753 -222073.4245 160.3027 -4286.3894 -2748.0546 921491.4634 -4286.3894 -2748.0546
ENERGY: 281 22172.5960 19445.1182 5667.0588 186.2206 -337154.6799 22172.1192 0.0000 0.0000 45063.2420 -222448.3251 163.9277 -267511.5671 -222064.8517 163.9277 -3881.2951 -2782.5902 921491.4634 -3881.2951 -2782.5902
ENERGY: 282 20943.7899 19615.5378 5669.9796 186.8360 -336942.5031 22176.7654 0.0000 0.0000 45823.3368 -222526.2576 166.6927 -268349.5943 -222063.3314 166.6927 -2992.3271 -2779.3668 921491.4634 -2992.3271 -2779.3668
ENERGY: 283 20432.1060 19966.6614 5678.8137 187.1634 -336251.9197 22171.0648 0.0000 0.0000 45328.8518 -222487.2585 164.8939 -267816.1104 -222060.8458 164.8939 -2008.7735 -2748.2306 921491.4634 -2008.7735 -2748.2306
ENERGY: 284 20506.3998 20401.8822 5692.0830 187.1346 -335412.6298 22166.2910 0.0000 0.0000 44071.4479 -222387.3913 160.3198 -266458.8393 -222061.5539 160.3198 -1267.2790 -2712.3901 921491.4634 -1267.2790 -2712.3901
ENERGY: 285 20203.3288 20789.9629 5707.3564 186.7145 -334827.1965 22167.0166 0.0000 0.0000 43418.2630 -222354.5544 157.9437 -265772.8173 -222053.5965 157.9437 -1010.8437 -2700.0820 921491.4634 -1010.8437 -2700.0820
ENERGY: 286 19396.6310 20966.5622 5721.5031 185.8229 -334658.1148 22176.6863 0.0000 0.0000 43785.6881 -222425.2211 159.2803 -266210.9091 -222054.0581 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1191 20856.7823 5731.9346 184.4714 -334918.1481 22200.2911 0.0000 0.0000 44282.9437 -222485.6058 161.0892 -266768.5495 -222055.7252 161.0892 -2148.9613 -2753.3344 921491.4634 -2148.9613 -2753.3344
ENERGY: 288 20263.2089 20475.2852 5736.9557 182.7335 -335468.3150 22237.9038 0.0000 0.0000 44116.9904 -222455.2374 160.4855 -266572.2279 -222066.9052 160.4855 -3310.5880 -2790.1554 921491.4634 -3310.5880 -2790.1554
ENERGY: 289 21886.4835 19928.6979 5736.1905 180.7560 -336126.9124 22279.0691 0.0000 0.0000 43733.4513 -222382.2641 159.0903 -266115.7154 -222062.2723 159.0903 -4368.9815 -2809.8750 921491.4634 -4368.9815 -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 22615.9845 19325.5266 5730.3279 178.6973 -336571.4575 22308.2175 0.0000 0.0000 44027.4234 -222385.2802 160.1597 -266412.7036 -222063.4683 160.1597 -4815.3287 -2796.0390 921491.4634 -4815.3287 -2796.0390
ENERGY: 291 22115.7704 18802.2909 5721.4122 176.7646 -336554.3558 22315.5631 0.0000 0.0000 44963.0865 -222459.4682 163.5634 -267422.5547 -222063.1774 163.5634 -4450.6674 -2738.1108 921491.4634 -4450.6674 -2738.1108
ENERGY: 292 21262.5910 18472.4015 5712.2431 175.1750 -335987.2702 22302.8785 0.0000 0.0000 45560.3454 -222501.6356 165.7360 -268061.9810 -222072.5162 165.7360 -3435.4156 -2639.3512 921491.4634 -3435.4156 -2639.3512
ENERGY: 293 20783.4661 18411.7342 5705.7252 174.1484 -335092.9708 22279.1182 0.0000 0.0000 45283.4161 -222455.3626 164.7286 -267738.7787 -222061.5456 164.7286 -2166.7336 -2517.2544 921491.4634 -2166.7336 -2517.2544
ENERGY: 294 20398.6128 18589.6436 5703.5791 173.8101 -334179.1788 22254.0800 0.0000 0.0000 44662.2339 -222397.2194 162.4689 -267059.4532 -222058.8852 162.4689 -1006.6041 -2405.5593 921491.4634 -1006.6041 -2405.5593
ENERGY: 295 19706.6743 18924.3582 5706.2255 174.2141 -333602.5017 22236.6569 0.0000 0.0000 44449.5912 -222404.7815 161.6954 -266854.3727 -222057.5862 161.6954 -311.5565 -2335.1538 921491.4634 -311.5565 -2335.1538
ENERGY: 296 19122.8993 19301.4532 5712.5929 175.3096 -333576.4724 22236.1190 0.0000 0.0000 44573.6028 -222454.4957 162.1465 -267028.0985 -222067.3936 162.1465 -347.2083 -2322.9740 921491.4634 -347.2083 -2322.9740
ENERGY: 297 19439.7491 19641.8018 5720.7182 176.9777 -334148.9753 22258.2525 0.0000 0.0000 44466.2677 -222445.2084 161.7561 -266911.4761 -222050.8185 161.7561 -1189.5387 -2359.0875 921491.4634 -1189.5387 -2359.0875
ENERGY: 298 20578.5047 19886.6665 5727.8935 178.9488 -335137.5239 22299.1411 0.0000 0.0000 44067.5343 -222398.8349 160.3056 -266466.3692 -222053.6273 160.3056 -2519.0814 -2427.9309 921491.4634 -2519.0814 -2427.9309
ENERGY: 299 21598.9657 20050.9661 5731.9440 180.9390 -336266.8204 22346.0658 0.0000 0.0000 43977.6322 -222380.3076 159.9785 -266357.9398 -222056.3726 159.9785 -3820.1264 -2506.2687 921491.4634 -3820.1264 -2506.2687
LDB: ============= START OF LOAD BALANCING ============== 148.481
LDB: Largest compute 200 load 0.520611 is 1.1% of average load 45.714765
LDB: Average compute 0.064030 is 0.1% of average load 45.714765
LDB: TIME 148.483 LOAD: AVG 45.7148 MAX 47.0081 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.26 MB
LDB: TIME 148.483 LOAD: AVG 45.7148 MAX 47.0081 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.26 MB
LDB: TIME 148.498 LOAD: AVG 45.7148 MAX 46.2364 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.26 MB
LDB: ============== END OF LOAD BALANCING =============== 148.499
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.501
Info: Initial time: 4 CPUs 0.469866 s/step 5.43826 days/ns 3224.26 MB memory
TIMING: 300 CPU: 142.576, 0.469799/step Wall: 142.576, 0.469799/step, 0.0261 hours remaining, 3224.257812 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 21869.9884 20174.1890 5731.6694 182.6816 -337209.9032 22385.4780 0.0000 0.0000 44423.7996 -222442.0972 161.6016 -266865.8969 -222076.5868 161.6016 -4600.9409 -2563.6019 921491.4634 -4600.9409 -2563.6019
ENERGY: 301 21754.7700 20299.7852 5727.3852 184.0330 -337665.1002 22409.6627 0.0000 0.0000 44817.7467 -222471.7174 163.0346 -267289.4641 -222059.2468 163.0346 -4657.8464 -2584.2293 921491.4634 -4657.8464 -2584.2293
ENERGY: 302 21723.0648 20395.7908 5720.2599 184.8676 -337483.0154 22416.9292 0.0000 0.0000 44599.2671 -222442.8360 162.2399 -267042.1031 -222057.3399 162.2399 -3958.8649 -2554.2736 921491.4634 -3958.8649 -2554.2736
ENERGY: 303 21512.5328 20430.0801 5712.5286 185.2198 -336784.9551 22409.2049 0.0000 0.0000 44154.6912 -222380.6979 160.6226 -266535.3890 -222054.2088 160.6226 -2717.2718 -2487.9822 921491.4634 -2717.2718 -2487.9822
ENERGY: 304 20579.5056 20379.6044 5706.6112 185.2163 -335895.7345 22392.3087 0.0000 0.0000 44259.5534 -222392.9349 161.0041 -266652.4883 -222063.7236 161.0041 -1310.8209 -2411.5371 921491.4634 -1310.8209 -2411.5371
ENERGY: 305 19294.2489 20267.1926 5704.5649 185.0761 -335184.3678 22377.9875 0.0000 0.0000 44903.5553 -222451.7425 163.3468 -267355.2978 -222049.0629 163.3468 -285.4664 -2359.8439 921491.4634 -285.4664 -2359.8439
ENERGY: 306 18813.6235 20091.4462 5706.8791 184.8700 -334861.4716 22380.1170 0.0000 0.0000 45195.6070 -222488.9287 164.4092 -267684.5358 -222048.9453 164.4092 -34.4474 -2342.9901 921491.4634 -34.4474 -2342.9901
ENERGY: 307 19699.8292 19880.2871 5712.8835 184.6555 -334994.2782 22404.6079 0.0000 0.0000 44676.1364 -222435.8788 162.5195 -267112.0151 -222050.4563 162.5195 -686.7124 -2362.0196 921491.4634 -686.7124 -2362.0196
ENERGY: 308 21066.5789 19666.1169 5720.7563 184.4262 -335495.7179 22443.3090 0.0000 0.0000 44039.4395 -222375.0910 160.2034 -266414.5305 -222060.2280 160.2034 -1960.6041 -2406.6005 921491.4634 -1960.6041 -2406.6005
ENERGY: 309 21696.0235 19507.1879 5728.2464 184.2113 -336171.4698 22480.8021 0.0000 0.0000 44190.3410 -222384.6577 160.7523 -266574.9986 -222050.0294 160.7523 -3383.0055 -2467.8898 921491.4634 -3383.0055 -2467.8898
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 310 21508.7276 19421.0238 5732.7586 183.9063 -336693.8610 22505.8456 0.0000 0.0000 44871.0068 -222470.5923 163.2284 -267341.5990 -222052.4937 163.2284 -4424.6314 -2515.2222 921491.4634 -4424.6314 -2515.2222
ENERGY: 311 21459.6725 19421.2606 5732.5580 183.4896 -336798.7865 22515.0559 0.0000 0.0000 44986.9608 -222499.7891 163.6502 -267486.7499 -222053.3067 163.6502 -4795.7695 -2523.0992 921491.4634 -4795.7695 -2523.0992
ENERGY: 312 21894.2739 19475.0867 5727.0397 182.9545 -336390.8678 22507.7149 0.0000 0.0000 44171.5550 -222432.2431 160.6840 -266603.7981 -222064.5093 160.6840 -4390.5735 -2479.7746 921491.4634 -4390.5735 -2479.7746
ENERGY: 313 21935.6983 19529.7470 5717.1322 182.3602 -335633.4775 22483.0130 0.0000 0.0000 43439.9890 -222345.5377 158.0227 -265785.5267 -222050.9854 158.0227 -3324.4413 -2406.1159 921491.4634 -3324.4413 -2406.1159
ENERGY: 314 20774.0372 19507.1855 5704.6248 181.6523 -334801.1005 22445.5164 0.0000 0.0000 43813.5137 -222374.5705 159.3815 -266188.0842 -222048.2691 159.3815 -1862.2381 -2326.9766 921491.4634 -1862.2381 -2326.9766
ENERGY: 315 19161.1204 19408.2595 5692.2116 180.8666 -334233.4702 22410.8358 0.0000 0.0000 44907.4427 -222472.7336 163.3609 -267380.1763 -222046.1397 163.3609 -549.3940 -2270.2359 921491.4634 -549.3940 -2270.2359
ENERGY: 316 18669.4294 19303.6207 5682.5270 180.0732 -334172.3645 22398.3990 0.0000 0.0000 45428.4346 -222509.8806 165.2562 -267938.3152 -222062.0710 165.2562 64.5863 -2251.8059 921491.4634 64.5863 -2251.8059
ENERGY: 317 19739.5967 19309.4452 5677.5265 179.4130 -334705.9339 22416.0670 0.0000 0.0000 44959.2152 -222424.6702 163.5493 -267383.8855 -222046.6270 163.5493 -296.1488 -2282.4173 921491.4634 -296.1488 -2282.4173
ENERGY: 318 21109.3876 19471.3043 5677.4840 178.9393 -335675.6978 22454.1810 0.0000 0.0000 44425.4199 -222358.9818 161.6075 -266784.4016 -222048.7805 161.6075 -1378.4200 -2356.1401 921491.4634 -1378.4200 -2356.1401
ENERGY: 319 21567.4385 19787.0342 5681.4413 178.7485 -336801.6070 22496.5475 0.0000 0.0000 44691.1807 -222399.2163 162.5742 -267090.3970 -222051.9251 162.5742 -2725.8798 -2457.2025 921491.4634 -2725.8798 -2457.2025
TIMING: 320 CPU: 151.788, 0.460587/step Wall: 151.788, 0.460587/step, 0.0230293 hours remaining, 3224.257812 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 21393.3838 20196.2690 5687.3971 178.9168 -337738.1161 22532.5476 0.0000 0.0000 45250.4875 -222499.1144 164.6088 -267749.6020 -222076.2071 164.6088 -3895.6023 -2553.5002 921491.4634 -3895.6023 -2553.5002
ENERGY: 321 21615.1674 20628.0217 5693.0806 179.5146 -338181.7105 22557.3346 0.0000 0.0000 45018.7805 -222489.8110 163.7660 -267508.5915 -222064.2788 163.7660 -4609.2360 -2621.5363 921491.4634 -4609.2360 -2621.5363
ENERGY: 322 22179.0069 20957.0456 5696.1855 180.4970 -337965.9630 22565.0704 0.0000 0.0000 43989.5239 -222398.6337 160.0218 -266388.1576 -222063.6576 160.0218 -4596.8829 -2640.5013 921491.4634 -4596.8829 -2640.5013
ENERGY: 323 21976.7004 21085.8080 5695.4506 181.8003 -337194.0745 22550.8104 0.0000 0.0000 43361.4903 -222342.0146 157.7372 -265703.5049 -222061.4465 157.7372 -3808.3605 -2616.6944 921491.4634 -3808.3605 -2616.6944
ENERGY: 324 20558.5068 20952.0214 5690.8582 183.3007 -336170.3976 22520.5742 0.0000 0.0000 43857.2500 -222407.8864 159.5406 -266265.1364 -222068.7483 159.5406 -2506.6899 -2573.6930 921491.4634 -2506.6899 -2573.6930
ENERGY: 325 19096.1753 20584.7378 5683.7433 184.8441 -335297.0514 22494.0545 0.0000 0.0000 44763.3953 -222490.1012 162.8369 -267253.4964 -222060.9514 162.8369 -1264.0244 -2529.6546 921491.4634 -1264.0244 -2529.6546
ENERGY: 326 18959.6362 20052.8005 5675.9627 186.2078 -334820.0106 22490.4170 0.0000 0.0000 44971.8221 -222483.1643 163.5951 -267454.9865 -222059.6110 163.5951 -572.2141 -2503.0558 921491.4634 -572.2141 -2503.0558
ENERGY: 327 20020.7821 19506.2795 5669.7116 187.2139 -334851.2533 22513.0146 0.0000 0.0000 44550.7425 -222403.5091 162.0634 -266954.2516 -222059.8762 162.0634 -657.4991 -2506.5014 921491.4634 -657.4991 -2506.5014
ENERGY: 328 20934.1979 19092.0092 5666.7484 187.7399 -335303.4713 22549.7454 0.0000 0.0000 44493.2356 -222379.7949 161.8542 -266873.0305 -222061.7260 161.8542 -1393.2038 -2547.3518 921491.4634 -1393.2038 -2547.3518
ENERGY: 329 21066.6665 18910.0876 5668.0553 187.7546 -335996.4130 22586.9567 0.0000 0.0000 45124.3166 -222452.5756 164.1499 -267576.8922 -222059.3367 164.1499 -2499.2291 -2610.9952 921491.4634 -2499.2291 -2610.9952
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 330 21142.6836 18933.5042 5673.1988 187.2569 -336566.3120 22617.7581 0.0000 0.0000 45495.0147 -222516.8958 165.4984 -268011.9105 -222062.1151 165.4984 -3602.9590 -2673.3212 921491.4634 -3602.9590 -2673.3212
ENERGY: 331 21864.6856 19091.0590 5680.9136 186.3262 -336735.1754 22637.2716 0.0000 0.0000 44806.2164 -222468.7030 162.9927 -267274.9194 -222063.3973 162.9927 -4373.7648 -2707.8811 921491.4634 -4373.7648 -2707.8811
ENERGY: 332 22513.8607 19292.8539 5689.3391 185.0892 -336383.5022 22636.4045 0.0000 0.0000 43697.6287 -222368.3260 158.9600 -266065.9547 -222061.8460 158.9600 -4514.5070 -2704.7030 921491.4634 -4514.5070 -2704.7030
ENERGY: 333 21854.9975 19482.7896 5696.6505 183.7309 -335681.4583 22608.9731 0.0000 0.0000 43501.2420 -222353.0747 158.2456 -265854.3167 -222052.0751 158.2456 -3943.3086 -2666.2161 921491.4634 -3943.3086 -2666.2161
ENERGY: 334 20023.4850 19603.2613 5701.0454 182.3864 -334880.5302 22564.8644 0.0000 0.0000 44357.3053 -222448.1824 161.3597 -266805.4877 -222049.6959 161.3597 -2855.3037 -2607.1876 921491.4634 -2855.3037 -2607.1876
ENERGY: 335 18726.9585 19647.0448 5701.6424 181.1975 -334325.9456 22528.7347 0.0000 0.0000 45026.6265 -222513.7413 163.7945 -267540.3678 -222047.5431 163.7945 -1753.1268 -2542.6964 921491.4634 -1753.1268 -2542.6964
ENERGY: 336 19127.9135 19639.0993 5698.6022 180.2744 -334271.7856 22519.6999 0.0000 0.0000 44649.6649 -222456.5314 162.4232 -267106.1963 -222055.6200 162.4232 -1093.5004 -2488.8701 921491.4634 -1093.5004 -2488.8701
ENERGY: 337 20420.1634 19649.7062 5693.3319 179.7347 -334824.3559 22536.4224 0.0000 0.0000 43995.5998 -222349.3975 160.0439 -266344.9973 -222040.1024 160.0439 -1064.7182 -2460.5859 921491.4634 -1064.7182 -2460.5859
ENERGY: 338 21007.5745 19722.4642 5687.5590 179.5437 -335808.8621 22564.1945 0.0000 0.0000 44285.9174 -222361.6087 161.1000 -266647.5261 -222041.5957 161.1000 -1500.9498 -2462.8575 921491.4634 -1500.9498 -2462.8575
ENERGY: 339 20742.6010 19892.4864 5683.2969 179.6501 -336924.5161 22593.0219 0.0000 0.0000 45359.3480 -222474.1118 165.0048 -267833.4599 -222043.8628 165.0048 -2199.9375 -2485.1214 921491.4634 -2199.9375 -2485.1214
TIMING: 340 CPU: 160.995, 0.460366/step Wall: 160.995, 0.460366/step, 0.0204607 hours remaining, 3224.257812 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 20898.6069 20139.5372 5681.9995 179.9655 -337821.3682 22621.7137 0.0000 0.0000 45758.5730 -222540.9724 166.4571 -268299.5454 -222070.3952 166.4571 -2966.9708 -2503.9484 921491.4634 -2966.9708 -2503.9484
ENERGY: 341 22051.8628 20407.8963 5684.3134 180.4786 -338209.1666 22646.3199 0.0000 0.0000 44797.5820 -222440.7136 162.9613 -267238.2956 -222054.5346 162.9613 -3585.3813 -2498.5442 921491.4634 -3585.3813 -2498.5442
ENERGY: 342 22895.9215 20582.1012 5689.2420 181.0293 -337942.4474 22653.2572 0.0000 0.0000 43612.4989 -222328.3974 158.6503 -265940.8964 -222054.3601 158.6503 -3711.7546 -2460.9855 921491.4634 -3711.7546 -2460.9855
ENERGY: 343 21993.5595 20596.8907 5695.1198 181.5548 -337132.3418 22633.1273 0.0000 0.0000 43686.5575 -222345.5321 158.9197 -266032.0896 -222053.2447 158.9197 -3217.8263 -2399.3475 921491.4634 -3217.8263 -2399.3475
ENERGY: 344 19898.5079 20447.2068 5699.9573 182.0106 -336095.2676 22596.5929 0.0000 0.0000 44790.9363 -222480.0559 162.9371 -267270.9922 -222071.3577 162.9371 -2338.1160 -2329.7492 921491.4634 -2338.1160 -2329.7492
ENERGY: 345 18694.7359 20199.0882 5702.3270 182.4513 -335224.1274 22568.7537 0.0000 0.0000 45351.4658 -222525.3055 164.9762 -267876.7713 -222058.0554 164.9762 -1576.2390 -2261.7960 921491.4634 -1576.2390 -2261.7960
ENERGY: 346 19350.9890 19892.9542 5701.0894 182.7368 -334783.0720 22565.1337 0.0000 0.0000 44652.5017 -222437.6672 162.4335 -267090.1689 -222056.8255 162.4335 -1239.3022 -2211.7781 921491.4634 -1239.3022 -2211.7781
ENERGY: 347 20669.8295 19583.9410 5696.3949 182.8447 -334881.4384 22581.1982 0.0000 0.0000 43831.1326 -222336.0975 159.4456 -266167.2301 -222056.9473 159.4456 -1358.8145 -2194.9212 921491.4634 -1358.8145 -2194.9212
ENERGY: 348 21062.2471 19315.9902 5689.3479 182.7918 -335425.6668 22604.2200 0.0000 0.0000 44195.9876 -222375.0822 160.7729 -266571.0698 -222064.0950 160.7729 -1766.2767 -2218.9158 921491.4634 -1766.2767 -2218.9158
ENERGY: 349 20718.9515 19143.3230 5681.9008 182.6959 -336197.3783 22630.4374 0.0000 0.0000 45349.6294 -222490.4403 164.9695 -267840.0697 -222056.3111 164.9695 -2336.6408 -2270.6250 921491.4634 -2336.6408 -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 -336836.8356 22661.9754 0.0000 0.0000 45710.0735 -222530.3108 166.2807 -268240.3843 -222058.0879 166.2807 -2896.5510 -2326.8868 921491.4634 -2896.5510 -2326.8868
ENERGY: 351 22235.3182 19085.8714 5672.3994 182.3761 -337072.3448 22693.2956 0.0000 0.0000 44770.4134 -222432.6706 162.8625 -267203.0841 -222058.6358 162.8625 -3254.0187 -2369.0508 921491.4634 -3254.0187 -2369.0508
ENERGY: 352 22912.9250 19180.1282 5672.7329 182.2243 -336794.7853 22708.6919 0.0000 0.0000 43795.3991 -222342.6840 159.3156 -266138.0830 -222059.3896 159.3156 -3190.0137 -2394.0290 921491.4634 -3190.0137 -2394.0290
ENERGY: 353 21825.9775 19344.0937 5676.6445 182.1014 -336147.6546 22699.4231 0.0000 0.0000 44043.1855 -222376.2289 160.2170 -266419.4144 -222047.6760 160.2170 -2709.1541 -2407.4664 921491.4634 -2709.1541 -2407.4664
ENERGY: 354 19814.0381 19544.5091 5682.7361 181.9868 -335375.1819 22676.8665 0.0000 0.0000 44983.0757 -222491.9697 163.6361 -267475.0453 -222046.2240 163.6361 -2040.9898 -2415.4742 921491.4634 -2040.9898 -2415.4742
ENERGY: 355 18879.8418 19773.7508 5689.2466 181.9196 -334823.9952 22664.4418 0.0000 0.0000 45120.2678 -222514.5268 164.1351 -267634.7946 -222044.8380 164.1351 -1600.3168 -2424.6827 921491.4634 -1600.3168 -2424.6827
ENERGY: 356 19622.4371 20015.8108 5694.4280 181.9402 -334758.7691 22674.4077 0.0000 0.0000 44153.0886 -222416.6567 160.6168 -266569.7452 -222053.0963 160.6168 -1622.0263 -2446.8267 921491.4634 -1622.0263 -2446.8267
ENERGY: 357 20687.2712 20255.1055 5697.1708 182.0215 -335288.0646 22700.2946 0.0000 0.0000 43438.0179 -222328.1832 158.0156 -265766.2011 -222042.2331 158.0156 -2061.3608 -2486.6664 921491.4634 -2061.3608 -2486.6664
ENERGY: 358 20785.4066 20424.8429 5696.9833 182.1295 -336225.9480 22730.2416 0.0000 0.0000 44019.5824 -222386.7617 160.1311 -266406.3441 -222043.9946 160.1311 -2636.8582 -2541.3594 921491.4634 -2636.8582 -2541.3594
ENERGY: 359 20493.6442 20484.4985 5694.4425 182.1894 -337270.5930 22762.0665 0.0000 0.0000 45152.8979 -222500.8541 164.2538 -267653.7520 -222046.1003 164.2538 -3161.2179 -2593.4282 921491.4634 -3161.2179 -2593.4282
TIMING: 360 CPU: 170.195, 0.460029/step Wall: 170.195, 0.460029/step, 0.01789 hours remaining, 3224.257812 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 21112.5813 20418.0334 5690.9152 182.1442 -338077.5507 22797.1675 0.0000 0.0000 45362.4569 -222514.2522 165.0162 -267876.7090 -222065.3874 165.0162 -3505.9504 -2622.8572 921491.4634 -3505.9504 -2622.8572
ENERGY: 361 22462.8276 20259.6927 5688.3192 181.9496 -338397.1524 22827.2218 0.0000 0.0000 44580.8521 -222396.2895 162.1729 -266977.1416 -222052.4538 162.1729 -3542.5442 -2618.5019 921491.4634 -3542.5442 -2618.5019
ENERGY: 362 22808.6002 20031.2790 5688.3204 181.6679 -338079.7610 22835.7524 0.0000 0.0000 44200.9553 -222333.1859 160.7909 -266534.1412 -222051.2754 160.7909 -3087.0695 -2583.1905 921491.4634 -3087.0695 -2583.1905
ENERGY: 363 21303.6020 19794.1188 5692.1162 181.3427 -337235.0086 22818.0649 0.0000 0.0000 45033.6628 -222412.1012 163.8201 -267445.7640 -222049.5298 163.8201 -2242.6817 -2529.7064 921491.4634 -2242.6817 -2529.7064
ENERGY: 364 19323.8975 19612.6013 5699.8913 181.0103 -336175.1995 22790.5191 0.0000 0.0000 46034.3490 -222532.9310 167.4603 -268567.2800 -222068.5916 167.4603 -1420.0424 -2476.3756 921491.4634 -1420.0424 -2476.3756
ENERGY: 365 18830.5839 19548.3418 5710.7559 180.6857 -335316.0965 22775.7828 0.0000 0.0000 45760.0889 -222509.8575 166.4626 -268269.9464 -222057.4400 166.4626 -1100.2605 -2433.4822 921491.4634 -1100.2605 -2433.4822
ENERGY: 366 19854.2638 19578.5646 5722.5903 180.3919 -334923.1924 22780.3500 0.0000 0.0000 44422.2473 -222384.7846 161.5959 -266807.0320 -222057.2775 161.5959 -1392.6925 -2417.6862 921491.4634 -1392.6925 -2417.6862
ENERGY: 367 20741.0596 19662.8832 5732.9484 180.1165 -335098.3154 22794.3492 0.0000 0.0000 43662.6187 -222324.3398 158.8326 -265986.9585 -222058.3711 158.8326 -2104.1273 -2437.9268 921491.4634 -2104.1273 -2437.9268
ENERGY: 368 20561.5938 19748.2118 5739.6691 179.8275 -335728.0872 22808.6650 0.0000 0.0000 44272.8408 -222417.2792 161.0524 -266690.1200 -222068.2911 161.0524 -2928.4887 -2487.3070 921491.4634 -2928.4887 -2487.3070
ENERGY: 369 20346.9680 19812.6205 5741.6370 179.5048 -336580.3307 22825.3356 0.0000 0.0000 45155.6309 -222518.6339 164.2638 -267674.2648 -222061.1000 164.2638 -3666.9892 -2542.4574 921491.4634 -3666.9892 -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 21302.3708 19815.7283 5738.6028 179.1429 -337296.0554 22846.3047 0.0000 0.0000 44920.4943 -222493.4115 163.4084 -267413.9058 -222062.2625 163.4084 -4081.4437 -2576.8190 921491.4634 -4081.4437 -2576.8190
ENERGY: 371 22799.2773 19758.4809 5731.5881 178.8004 -337606.4370 22861.3508 0.0000 0.0000 43904.8962 -222372.0432 159.7139 -266276.9394 -222061.9337 159.7139 -3956.1481 -2578.2818 921491.4634 -3956.1481 -2578.2818
ENERGY: 372 22964.3597 19665.2851 5722.4284 178.5955 -337391.7868 22854.0834 0.0000 0.0000 43672.6557 -222334.3790 158.8691 -266007.0347 -222060.3193 158.8691 -3189.3381 -2552.6172 921491.4634 -3189.3381 -2552.6172
ENERGY: 373 21253.1597 19603.3417 5713.4759 178.7080 -336784.3111 22822.4878 0.0000 0.0000 44782.9953 -222430.1426 162.9082 -267213.1380 -222050.3112 162.9082 -2037.0648 -2511.6656 921491.4634 -2037.0648 -2511.6656
ENERGY: 374 19285.9365 19613.0720 5706.5680 179.1985 -336019.1231 22785.5045 0.0000 0.0000 45912.3283 -222536.5153 167.0164 -268448.8436 -222048.2688 167.0164 -983.4304 -2469.0310 921491.4634 -983.4304 -2469.0310
ENERGY: 375 18893.7028 19735.2393 5703.0316 180.0533 -335443.7683 22766.6830 0.0000 0.0000 45660.9724 -222504.0859 166.1021 -268165.0583 -222047.0942 166.1021 -539.4859 -2439.8661 921491.4634 -539.4859 -2439.8661
ENERGY: 376 19884.0273 19962.1762 5703.2010 181.1433 -335321.8630 22772.8697 0.0000 0.0000 44434.3280 -222384.1174 161.6399 -266818.4454 -222050.5528 161.6399 -874.6222 -2439.6904 921491.4634 -874.6222 -2439.6904
ENERGY: 377 20646.4609 20251.1592 5706.5521 182.3248 -335763.5800 22794.3770 0.0000 0.0000 43848.2759 -222334.4301 159.5080 -266182.7060 -222041.4011 159.5080 -1819.5858 -2472.4987 921491.4634 -1819.5858 -2472.4987
ENERGY: 378 20473.8100 20495.6594 5711.4639 183.2952 -336584.2278 22821.5833 0.0000 0.0000 44474.7541 -222423.6620 161.7869 -266898.4160 -222044.3966 161.7869 -2972.9875 -2523.3500 921491.4634 -2972.9875 -2523.3500
ENERGY: 379 20419.4578 20623.8791 5716.2160 183.8420 -337495.6096 22854.5149 0.0000 0.0000 45185.6417 -222512.0581 164.3729 -267697.6998 -222047.0128 164.3729 -3997.4174 -2563.3074 921491.4634 -3997.4174 -2563.3074
TIMING: 380 CPU: 179.392, 0.45984/step Wall: 179.392, 0.45984/step, 0.015328 hours remaining, 3224.257812 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 21458.1133 20605.4120 5719.3306 183.8284 -338176.3457 22892.6525 0.0000 0.0000 44833.7905 -222483.2184 163.0930 -267317.0089 -222063.6483 163.0930 -4580.2707 -2564.2105 921491.4634 -4580.2707 -2564.2105
ENERGY: 381 22824.3128 20467.0311 5720.1164 183.2929 -338395.2417 22923.6565 0.0000 0.0000 43906.3008 -222370.5311 159.7191 -266276.8319 -222053.0350 159.7191 -4470.7200 -2514.6125 921491.4634 -4470.7200 -2514.6125
ENERGY: 382 22844.1905 20220.4986 5718.3197 182.2157 -338010.6538 22930.5468 0.0000 0.0000 43766.5303 -222348.3522 159.2106 -266114.8825 -222051.0366 159.2106 -3524.7153 -2418.5492 921491.4634 -3524.7153 -2418.5492
ENERGY: 383 21263.6993 19910.9246 5714.6670 180.7420 -337128.0232 22911.2840 0.0000 0.0000 44707.9449 -222438.7614 162.6352 -267146.7063 -222048.1883 162.6352 -2023.0806 -2294.0135 921491.4634 -2023.0806 -2294.0135
ENERGY: 384 19625.4114 19596.0353 5710.5349 179.0647 -336052.0486 22884.2529 0.0000 0.0000 45539.1837 -222517.5656 165.6590 -268056.7493 -222062.0923 165.6590 -569.2380 -2166.9359 921491.4634 -569.2380 -2166.9359
ENERGY: 385 19327.8182 19356.8911 5707.7751 177.4354 -335210.6400 22871.6139 0.0000 0.0000 45299.7175 -222469.3887 164.7879 -267769.1062 -222051.0991 164.7879 215.3514 -2064.3637 921491.4634 215.3514 -2064.3637
ENERGY: 386 19981.2275 19220.9464 5707.6637 175.9384 -334865.1816 22880.7953 0.0000 0.0000 44519.8590 -222378.7513 161.9510 -266898.6103 -222051.0435 161.9510 122.6669 -2011.2429 921491.4634 122.6669 -2011.2429
ENERGY: 387 20367.2861 19202.4845 5710.9354 174.6759 -335109.8724 22905.2739 0.0000 0.0000 44377.1819 -222372.0347 161.4320 -266749.2166 -222053.0048 161.4320 -738.9586 -2019.1690 921491.4634 -738.9586 -2019.1690
ENERGY: 388 20282.3988 19280.0169 5717.2934 173.7038 -335824.1518 22938.2895 0.0000 0.0000 44972.7764 -222459.6731 163.5986 -267432.4494 -222067.4817 163.5986 -2063.8556 -2076.2823 921491.4634 -2063.8556 -2076.2823
ENERGY: 389 20685.9715 19431.2566 5725.6291 173.0778 -336772.2803 22978.5914 0.0000 0.0000 45279.3794 -222498.3745 164.7139 -267777.7539 -222059.2965 164.7139 -3501.7342 -2158.1994 921491.4634 -3501.7342 -2158.1994
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 390 21929.5053 19598.7450 5733.9032 172.7580 -337596.2511 23021.3357 0.0000 0.0000 44698.9837 -222441.0202 162.6026 -267140.0039 -222061.4795 162.6026 -4540.4926 -2229.7776 921491.4634 -4540.4926 -2229.7776
ENERGY: 391 22937.3145 19764.3497 5740.3107 172.7562 -338017.7275 23051.7294 0.0000 0.0000 43987.0071 -222364.2597 160.0126 -266351.2669 -222061.6921 160.0126 -4746.5209 -2270.9350 921491.4634 -4746.5209 -2270.9350
ENERGY: 392 22488.0359 19924.0529 5743.6080 173.0775 -337898.4684 23055.0068 0.0000 0.0000 44125.3369 -222389.3504 160.5158 -266514.6873 -222067.3167 160.5158 -3965.0289 -2276.9603 921491.4634 -3965.0289 -2276.9603
ENERGY: 393 20924.3595 20087.8868 5743.5041 173.6901 -337346.1124 23032.5721 0.0000 0.0000 44913.3820 -222470.7178 163.3825 -267384.0998 -222058.1709 163.3825 -2525.7427 -2257.0111 921491.4634 -2525.7427 -2257.0111
ENERGY: 394 19713.0844 20210.4902 5740.1181 174.4904 -336587.4362 23002.1138 0.0000 0.0000 45247.1174 -222500.0219 164.5966 -267747.1392 -222054.8628 164.5966 -988.4118 -2227.7234 921491.4634 -988.4118 -2227.7234
ENERGY: 395 19644.4019 20265.5067 5734.3763 175.3161 -335972.1477 22982.1015 0.0000 0.0000 44739.8937 -222430.5514 162.7514 -267170.4452 -222052.2372 162.7514 57.9321 -2215.1748 921491.4634 57.9321 -2215.1748
ENERGY: 396 20000.9211 20248.4506 5727.6303 175.9620 -335765.9666 22978.8834 0.0000 0.0000 44270.3050 -222363.8141 161.0432 -266634.1191 -222050.8948 161.0432 285.8964 -2246.0849 921491.4634 285.8964 -2246.0849
ENERGY: 397 19906.7784 20200.7711 5721.4919 176.2273 -336102.8172 22990.0371 0.0000 0.0000 44712.8673 -222394.6441 162.6531 -267107.5114 -222042.6599 162.6531 -376.0863 -2327.2103 921491.4634 -376.0863 -2327.2103
ENERGY: 398 19692.8116 20133.3593 5716.9814 176.0456 -336812.3376 23014.0582 0.0000 0.0000 45592.7320 -222486.3496 165.8538 -268079.0816 -222045.7222 165.8538 -1710.2238 -2443.6966 921491.4634 -1710.2238 -2443.6966
ENERGY: 399 20395.5108 20061.2893 5714.6368 175.4775 -337634.0282 23050.4583 0.0000 0.0000 45731.2025 -222505.4531 166.3575 -268236.6555 -222049.1602 166.3575 -3349.4394 -2564.3620 921491.4634 -3349.4394 -2564.3620
LDB: ============= START OF LOAD BALANCING ============== 194.521
LDB: Largest compute 230 load 0.523789 is 1.1% of average load 45.596365
LDB: Average compute 0.063844 is 0.1% of average load 45.596365
LDB: TIME 194.523 LOAD: AVG 45.5964 MAX 46.0205 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.26 MB
LDB: TIME 194.524 LOAD: AVG 45.5964 MAX 46.0205 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.26 MB
LDB: TIME 194.524 LOAD: AVG 45.5964 MAX 46.0205 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.26 MB
LDB: ============== END OF LOAD BALANCING =============== 194.524
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.525
Info: Benchmark time: 4 CPUs 0.460137 s/step 5.32565 days/ns 3224.26 MB memory
TIMING: 400 CPU: 188.593, 0.460054/step Wall: 188.593, 0.460054/step, 0.0127793 hours remaining, 3224.257812 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 19981.4883 5714.2278 174.7230 -338264.6723 23090.3525 0.0000 0.0000 44890.2680 -222429.6569 163.2985 -267319.9249 -222060.6829 163.2985 -4748.6079 -2656.9998 921491.4634 -4748.6079 -2656.9998
ENERGY: 401 23053.7073 19909.1478 5715.0562 174.0724 -338477.1019 23114.9564 0.0000 0.0000 44157.6676 -222352.4941 160.6335 -266510.1617 -222050.1988 160.6335 -5384.8816 -2700.1794 921491.4634 -5384.8816 -2700.1794
ENERGY: 402 22444.0480 19835.9108 5715.8942 173.8391 -338107.6283 23109.6376 0.0000 0.0000 44436.8097 -222391.4888 161.6489 -266828.2985 -222049.2224 161.6489 -4939.3795 -2681.7025 921491.4634 -4939.3795 -2681.7025
ENERGY: 403 20784.9695 19778.4828 5715.7218 174.2695 -337239.9781 23077.8401 0.0000 0.0000 45225.5963 -222483.0982 164.5183 -267708.6945 -222046.6852 164.5183 -3613.5977 -2605.7428 921491.4634 -3613.5977 -2605.7428
ENERGY: 404 19687.5954 19735.4028 5713.8114 175.5084 -336169.1143 23038.2899 0.0000 0.0000 45313.8393 -222504.6672 164.8393 -267818.5065 -222060.2374 164.8393 -1967.0748 -2494.0441 921491.4634 -1967.0748 -2494.0441
ENERGY: 405 19798.8802 19696.7724 5710.0281 177.6161 -335317.9351 23008.3947 0.0000 0.0000 44511.4435 -222414.8000 161.9204 -266926.2436 -222047.5592 161.9204 -627.4749 -2380.7865 921491.4634 -627.4749 -2380.7865
ENERGY: 406 20210.3504 19614.0443 5704.4965 180.4779 -334953.8242 22994.4763 0.0000 0.0000 43902.7664 -222347.2123 159.7062 -266249.9788 -222046.2407 159.7062 66.0352 -2300.4798 921491.4634 66.0352 -2300.4798
ENERGY: 407 20044.4888 19493.9065 5698.1032 183.8794 -335181.5239 22996.8162 0.0000 0.0000 44376.0636 -222388.2662 161.4279 -266764.3298 -222047.0773 161.4279 -41.3221 -2272.9971 921491.4634 -41.3221 -2272.9971
ENERGY: 408 19735.8471 19387.6645 5692.2152 187.5226 -335902.8224 23017.8175 0.0000 0.0000 45394.4122 -222487.3432 165.1324 -267881.7555 -222063.5312 165.1324 -920.8282 -2294.1556 921491.4634 -920.8282 -2294.1556
ENERGY: 409 20350.1190 19376.4609 5688.4775 191.1593 -336896.6853 23057.9924 0.0000 0.0000 45733.6059 -222498.8704 166.3663 -268232.4763 -222051.6705 166.3663 -2367.4921 -2346.9325 921491.4634 -2367.4921 -2346.9325
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 410 21850.5214 19470.1803 5687.6650 194.4179 -337813.1853 23106.2031 0.0000 0.0000 45077.0716 -222427.1260 163.9780 -267504.1976 -222054.6427 163.9780 -3838.6213 -2402.0240 921491.4634 -3838.6213 -2402.0240
ENERGY: 411 22931.8004 19651.0977 5689.8741 197.0388 -338354.2253 23140.9048 0.0000 0.0000 44380.5350 -222362.9746 161.4442 -266743.5096 -222056.2115 161.4442 -4745.1592 -2436.8801 921491.4634 -4745.1592 -2436.8801
ENERGY: 412 22535.8952 19878.8221 5694.3234 198.8205 -338356.4982 23146.2938 0.0000 0.0000 44499.5089 -222402.8343 161.8770 -266902.3432 -222068.4599 161.8770 -4717.2140 -2436.3028 921491.4634 -4717.2140 -2436.3028
ENERGY: 413 21130.1418 20138.5248 5699.9334 199.7191 -337872.5326 23125.1119 0.0000 0.0000 45113.2146 -222465.8870 164.1095 -267579.1016 -222055.3454 164.1095 -3850.6269 -2398.9549 921491.4634 -3850.6269 -2398.9549
ENERGY: 414 19987.3857 20381.5506 5705.1135 199.5118 -337122.7804 23094.4560 0.0000 0.0000 45271.6530 -222483.1098 164.6858 -267754.7628 -222052.1624 164.6858 -2501.3241 -2333.9464 921491.4634 -2501.3241 -2333.9464
ENERGY: 415 19745.2667 20572.1259 5708.7452 198.1487 -336456.1979 23071.1994 0.0000 0.0000 44733.2275 -222427.4845 162.7272 -267160.7120 -222049.0347 162.7272 -1174.6451 -2266.5615 921491.4634 -1174.6451 -2266.5615
ENERGY: 416 19942.3170 20661.9896 5710.0857 195.6953 -336157.5865 23063.1718 0.0000 0.0000 44200.2852 -222384.0419 160.7885 -266584.3270 -222052.9642 160.7885 -282.7611 -2224.6896 921491.4634 -282.7611 -2224.6896
ENERGY: 417 20031.3750 20631.3210 5709.0494 192.4696 -336373.1079 23072.1101 0.0000 0.0000 44338.4621 -222398.3207 161.2911 -266736.7828 -222044.6991 161.2911 -112.4552 -2227.1698 921491.4634 -112.4552 -2227.1698
ENERGY: 418 20154.6649 20457.0910 5705.5847 188.6536 -336970.7872 23098.6729 0.0000 0.0000 44915.1424 -222450.9776 163.3889 -267366.1200 -222046.7091 163.3889 -671.8546 -2269.9920 921491.4634 -671.8546 -2269.9920
ENERGY: 419 20790.7634 20185.5524 5700.4811 184.6055 -337717.8762 23139.8026 0.0000 0.0000 45250.3102 -222466.3611 164.6082 -267716.6713 -222049.5948 164.6082 -1783.9422 -2336.6464 921491.4634 -1783.9422 -2336.6464
TIMING: 420 CPU: 197.762, 0.458448/step Wall: 197.762, 0.458448/step, 0.0101877 hours remaining, 3224.257812 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 21812.8762 19887.3911 5695.0415 180.6770 -338321.5519 23183.0577 0.0000 0.0000 45121.9779 -222440.5306 164.1414 -267562.5085 -222061.1149 164.1414 -3051.6032 -2402.9274 921491.4634 -3051.6032 -2402.9274
ENERGY: 421 22491.6107 19639.6135 5690.9238 177.2518 -338550.3542 23210.1386 0.0000 0.0000 44931.8964 -222408.9194 163.4499 -267340.8158 -222052.6020 163.4499 -4041.3727 -2452.8636 921491.4634 -4041.3727 -2452.8636
ENERGY: 422 22275.7615 19449.5349 5688.9976 174.4058 -338225.0321 23208.5477 0.0000 0.0000 45004.7087 -222423.0759 163.7148 -267427.7846 -222052.8451 163.7148 -4363.1153 -2465.6374 921491.4634 -4363.1153 -2465.6374
ENERGY: 423 21418.8985 19324.4273 5689.6736 172.2145 -337416.8962 23180.6041 0.0000 0.0000 45183.9716 -222447.1065 164.3669 -267631.0781 -222051.5234 164.3669 -3955.8307 -2434.9306 921491.4634 -3955.8307 -2434.9306
ENERGY: 424 20531.3310 19270.7816 5692.6543 170.6563 -336406.2767 23140.4647 0.0000 0.0000 45151.0459 -222449.3429 164.2471 -267600.3889 -222060.4126 164.2471 -3030.1606 -2370.2032 921491.4634 -3030.1606 -2370.2032
ENERGY: 425 19942.3361 19314.5609 5697.3263 169.6876 -335607.5209 23103.7921 0.0000 0.0000 44956.0482 -222423.7696 163.5377 -267379.8178 -222050.7962 163.5377 -1980.9651 -2297.0089 921491.4634 -1980.9651 -2297.0089
ENERGY: 426 19603.3347 19432.3070 5702.4947 169.0990 -335270.6879 23080.2893 0.0000 0.0000 44862.7386 -222420.4245 163.1983 -267283.1631 -222049.1088 163.1983 -1125.8048 -2237.7213 921491.4634 -1125.8048 -2237.7213
ENERGY: 427 19598.5317 19595.2899 5707.1504 168.7509 -335498.4323 23074.5008 0.0000 0.0000 44915.2777 -222438.9309 163.3894 -267354.2086 -222048.7337 163.3894 -741.9008 -2207.6353 921491.4634 -741.9008 -2207.6353
ENERGY: 428 20140.4230 19760.4171 5710.4628 168.5259 -336199.9857 23087.7678 0.0000 0.0000 44884.2596 -222448.1296 163.2766 -267332.3892 -222058.0548 163.2766 -935.5732 -2206.9583 921491.4634 -935.5732 -2206.9583
ENERGY: 429 21147.3678 19912.0618 5712.1358 168.3557 -337181.5911 23116.4521 0.0000 0.0000 44706.5245 -222418.6933 162.6300 -267125.2178 -222045.4880 162.6300 -1630.8085 -2233.4560 921491.4634 -1630.8085 -2233.4560
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9875 20024.3736 5712.1700 168.1897 -338096.9207 23149.4493 0.0000 0.0000 44626.3100 -222402.4405 162.3383 -267028.7505 -222047.3914 162.3383 -2472.2457 -2268.0464 921491.4634 -2472.2457 -2268.0464
ENERGY: 431 22204.1023 20111.4151 5711.2600 168.0704 -338644.7645 23172.3805 0.0000 0.0000 44858.4631 -222419.0731 163.1828 -267277.5362 -222048.7168 163.1828 -3116.2805 -2293.5590 921491.4634 -3116.2805 -2293.5590
ENERGY: 432 21768.3704 20188.6722 5710.3547 168.1086 -338651.2099 23176.0846 0.0000 0.0000 45177.9910 -222461.6284 164.3451 -267639.6195 -222065.9057 164.3451 -3350.2740 -2296.1496 921491.4634 -3350.2740 -2296.1496
ENERGY: 433 21200.9072 20275.9661 5710.3763 168.4633 -338164.0633 23162.2910 0.0000 0.0000 45192.9284 -222453.1310 164.3995 -267646.0594 -222052.5981 164.3995 -3187.3731 -2272.1274 921491.4634 -3187.3731 -2272.1274
ENERGY: 434 20730.3412 20338.1497 5711.6061 169.3247 -337394.2699 23140.7735 0.0000 0.0000 44883.0996 -222420.9751 163.2724 -267304.0747 -222051.1461 163.2724 -2694.3105 -2227.7883 921491.4634 -2694.3105 -2227.7883
ENERGY: 435 20235.2201 20362.4013 5714.0003 170.8455 -336680.6549 23123.4097 0.0000 0.0000 44675.9837 -222398.7943 162.5189 -267074.7780 -222049.5888 162.5189 -2061.3580 -2179.8949 921491.4634 -2061.3580 -2179.8949
ENERGY: 436 19670.9243 20349.9980 5717.2345 173.0864 -336303.8808 23119.9077 0.0000 0.0000 44847.0981 -222425.6317 163.1414 -267272.7298 -222059.6960 163.1414 -1520.6597 -2145.1616 921491.4634 -1520.6597 -2145.1616
ENERGY: 437 19434.5516 20329.5091 5720.9894 175.9827 -336411.9781 23136.3867 0.0000 0.0000 45159.2685 -222455.2901 164.2770 -267614.5586 -222050.7503 164.2770 -1319.1167 -2134.4847 921491.4634 -1319.1167 -2134.4847
ENERGY: 438 19935.1533 20278.6094 5724.6884 179.3848 -336899.4573 23173.5519 0.0000 0.0000 45148.1322 -222459.9374 164.2365 -267608.0696 -222051.5669 164.2365 -1493.0940 -2145.0880 921491.4634 -1493.0940 -2145.0880
ENERGY: 439 21052.7408 20184.4294 5727.7929 183.0561 -337561.7716 23224.7481 0.0000 0.0000 44760.8209 -222428.1833 162.8276 -267189.0042 -222052.7966 162.8276 -1936.1988 -2169.8746 921491.4634 -1936.1988 -2169.8746
TIMING: 440 CPU: 206.925, 0.458122/step Wall: 206.925, 0.458122/step, 0.00763537 hours remaining, 3224.257812 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 22071.5685 20036.2370 5729.7527 186.7201 -338123.1803 23276.2485 0.0000 0.0000 44417.5458 -222405.1078 161.5788 -266822.6535 -222059.4772 161.5788 -2408.4612 -2197.9670 921491.4634 -2408.4612 -2197.9670
ENERGY: 441 22355.5487 19860.0408 5730.3488 190.1145 -338361.1712 23313.2044 0.0000 0.0000 44502.6963 -222409.2178 161.8886 -266911.9141 -222050.0859 161.8886 -2716.1027 -2221.5313 921491.4634 -2716.1027 -2221.5313
ENERGY: 442 21853.6119 19664.5348 5729.4854 192.9411 -338090.1531 23327.1567 0.0000 0.0000 44880.6319 -222441.7912 163.2634 -267322.4231 -222049.7754 163.2634 -2710.5576 -2229.0696 921491.4634 -2710.5576 -2229.0696
ENERGY: 443 21064.3317 19487.0722 5727.6164 194.9329 -337369.3149 23320.0157 0.0000 0.0000 45118.1106 -222457.2353 164.1273 -267575.3459 -222048.5994 164.1273 -2448.1648 -2220.3530 921491.4634 -2448.1648 -2220.3530
ENERGY: 444 20449.3365 19357.2690 5725.4095 195.8735 -336464.1921 23301.5275 0.0000 0.0000 44987.7176 -222447.0587 163.6530 -267434.7762 -222057.9796 163.6530 -2090.2099 -2206.4398 921491.4634 -2090.2099 -2206.4398
ENERGY: 445 20125.5610 19307.2518 5723.6513 195.6942 -335759.3914 23283.8138 0.0000 0.0000 44708.7153 -222414.7040 162.6380 -267123.4193 -222046.5427 162.6380 -1846.9625 -2201.6924 921491.4634 -1846.9625 -2201.6924
ENERGY: 446 19947.6806 19324.9006 5722.5430 194.3235 -335494.5708 23276.0450 0.0000 0.0000 44620.2944 -222408.7837 162.3164 -267029.0781 -222046.1619 162.3164 -1800.7517 -2216.7292 921491.4634 -1800.7517 -2216.7292
ENERGY: 447 19914.2849 19416.0210 5722.2107 191.8641 -335769.4399 23282.7458 0.0000 0.0000 44816.5087 -222425.8048 163.0301 -267242.3135 -222046.8341 163.0301 -1993.3111 -2253.0602 921491.4634 -1993.3111 -2253.0602
ENERGY: 448 20187.5922 19583.6799 5722.5765 188.5554 -336503.1800 23303.8904 0.0000 0.0000 45065.6673 -222451.2184 163.9365 -267516.8857 -222059.3479 163.9365 -2372.1877 -2303.7897 921491.4634 -2372.1877 -2303.7897
ENERGY: 449 20877.4061 19832.6984 5723.5713 184.8596 -337500.9071 23334.5923 0.0000 0.0000 45101.1677 -222446.6117 164.0657 -267547.7794 -222047.7097 164.0657 -2827.1080 -2356.1406 921491.4634 -2827.1080 -2356.1406
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 20108.1298 5724.4776 181.0898 -338419.3248 23364.6243 0.0000 0.0000 44854.3094 -222432.2085 163.1676 -267286.5178 -222048.7859 163.1676 -3116.6755 -2394.3895 921491.4634 -3116.6755 -2394.3895
ENERGY: 451 22355.5903 20357.7253 5724.7144 177.6517 -338952.0906 23381.8008 0.0000 0.0000 44542.6983 -222411.9098 162.0341 -266954.6082 -222048.8244 162.0341 -3074.2531 -2405.7796 921491.4634 -3074.2531 -2405.7796
ENERGY: 452 22246.2015 20536.0133 5723.8953 174.8859 -338927.1536 23378.0944 0.0000 0.0000 44452.9192 -222415.1439 161.7075 -266868.0631 -222059.6370 161.7075 -2659.9605 -2384.7567 921491.4634 -2659.9605 -2384.7567
ENERGY: 453 21399.8726 20641.1310 5722.2879 173.1350 -338392.7931 23354.5909 0.0000 0.0000 44683.7028 -222418.0729 162.5470 -267101.7758 -222043.5371 162.5470 -2048.3338 -2342.4667 921491.4634 -2048.3338 -2342.4667
ENERGY: 454 20248.3381 20654.1373 5720.2217 172.3637 -337567.1411 23320.6903 0.0000 0.0000 45008.1459 -222443.2441 163.7273 -267451.3900 -222041.8390 163.7273 -1453.4578 -2293.1449 921491.4634 -1453.4578 -2293.1449
ENERGY: 455 19486.7907 20584.7120 5718.4844 172.5169 -336790.6449 23290.4025 0.0000 0.0000 45086.5781 -222451.1602 164.0126 -267537.7383 -222040.8569 164.0126 -1151.8823 -2255.8570 921491.4634 -1151.8823 -2255.8570
ENERGY: 456 19493.3722 20440.6801 5717.7556 173.4249 -336350.1071 23274.9633 0.0000 0.0000 44811.4717 -222438.4395 163.0118 -267249.9112 -222055.3485 163.0118 -1305.5003 -2245.5822 921491.4634 -1305.5003 -2245.5822
ENERGY: 457 20047.4929 20251.9435 5718.5580 174.9241 -336395.8160 23277.8276 0.0000 0.0000 44521.8697 -222403.2002 161.9583 -266925.0699 -222049.4132 161.9583 -1906.4164 -2263.5012 921491.4634 -1906.4164 -2263.5012
ENERGY: 458 20585.8434 20019.2723 5720.7061 176.6081 -336835.0954 23294.7174 0.0000 0.0000 44632.7883 -222405.1599 162.3618 -267037.9481 -222051.2822 162.3618 -2684.6987 -2301.0426 921491.4634 -2684.6987 -2301.0426
ENERGY: 459 20903.4946 19784.9689 5724.0021 178.1985 -337468.1639 23318.6984 0.0000 0.0000 45113.9362 -222444.8652 164.1121 -267558.8014 -222053.1411 164.1121 -3350.5831 -2341.5795 921491.4634 -3350.5831 -2341.5795
TIMING: 460 CPU: 216.085, 0.458015/step Wall: 216.085, 0.458015/step, 0.00508906 hours remaining, 3224.257812 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 19597.9063 5728.0972 179.4910 -338014.3765 23341.8002 0.0000 0.0000 45423.8560 -222480.6117 165.2395 -267904.4678 -222064.6837 165.2395 -3669.8202 -2365.2412 921491.4634 -3669.8202 -2365.2412
ENERGY: 461 21862.8764 19507.1076 5732.5753 180.4333 -338251.6215 23355.3936 0.0000 0.0000 45154.6133 -222458.6220 164.2601 -267613.2353 -222058.0508 164.2601 -3556.1667 -2361.1799 921491.4634 -3556.1667 -2361.1799
ENERGY: 462 22264.2257 19487.8110 5736.4823 180.9531 -337988.7169 23351.1086 0.0000 0.0000 44559.9287 -222408.2075 162.0968 -266968.1363 -222056.7215 162.0968 -2954.8201 -2323.4251 921491.4634 -2954.8201 -2323.4251
ENERGY: 463 21821.1792 19513.9017 5738.9361 181.1160 -337284.1028 23326.9477 0.0000 0.0000 44313.4567 -222388.5653 161.2002 -266702.0221 -222054.6243 161.2002 -2012.4424 -2264.0778 921491.4634 -2012.4424 -2264.0778
ENERGY: 464 20535.2461 19559.9275 5739.2518 181.0096 -336389.3838 23291.1941 0.0000 0.0000 44654.0264 -222428.7284 162.4391 -267082.7547 -222058.5728 162.4391 -1050.9227 -2205.5269 921491.4634 -1050.9227 -2205.5269
ENERGY: 465 19322.7828 19631.8857 5737.2899 180.7155 -335701.1532 23259.7390 0.0000 0.0000 45094.5685 -222474.1718 164.0416 -267568.7403 -222052.9387 164.0416 -512.3346 -2174.4009 921491.4634 -512.3346 -2174.4009
ENERGY: 466 19088.4511 19708.3584 5733.2107 180.2808 -335443.7724 23245.0603 0.0000 0.0000 45020.7906 -222467.6205 163.7733 -267488.4111 -222052.9784 163.7733 -630.3314 -2182.6711 921491.4634 -630.3314 -2182.6711
ENERGY: 467 19841.8070 19783.1745 5727.6704 179.7757 -335721.0950 23249.4528 0.0000 0.0000 44523.6665 -222415.5481 161.9649 -266939.2146 -222054.3494 161.9649 -1393.6030 -2232.5925 921491.4634 -1393.6030 -2232.5925
ENERGY: 468 20761.8482 19845.4944 5721.5089 179.2779 -336451.5669 23265.8124 0.0000 0.0000 44291.6587 -222385.9664 161.1209 -266677.6250 -222056.3591 161.1209 -2508.6716 -2314.1342 921491.4634 -2508.6716 -2314.1342
ENERGY: 469 21236.3017 19910.2022 5715.6824 178.8504 -337458.3205 23284.3960 0.0000 0.0000 44720.3205 -222412.5673 162.6802 -267132.8878 -222046.0751 162.6802 -3596.7409 -2405.7974 921491.4634 -3596.7409 -2405.7974
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1734 19972.8935 5710.9491 178.5947 -338383.2512 23297.0671 0.0000 0.0000 45346.4577 -222466.1157 164.9580 -267812.5734 -222047.6089 164.9580 -4259.6998 -2477.6833 921491.4634 -4259.6998 -2477.6833
ENERGY: 471 21732.8681 20054.6836 5707.9626 178.5890 -338913.2457 23297.5083 0.0000 0.0000 45471.3369 -222470.2971 165.4122 -267941.6340 -222047.5360 165.4122 -4290.5687 -2504.3178 921491.4634 -4290.5687 -2504.3178
ENERGY: 472 22081.2364 20161.5552 5707.0091 178.9047 -338870.6770 23279.4489 0.0000 0.0000 45028.5299 -222433.9928 163.8014 -267462.5227 -222059.5056 163.8014 -3659.7362 -2479.9185 921491.4634 -3659.7362 -2479.9185
ENERGY: 473 21866.1364 20289.3427 5707.9843 179.6165 -338307.7192 23240.7361 0.0000 0.0000 44634.5176 -222389.3857 162.3681 -267023.9034 -222043.8538 162.3681 -2556.3617 -2408.1659 921491.4634 -2556.3617 -2408.1659
ENERGY: 474 20842.9705 20372.0987 5710.2160 180.7466 -337438.4552 23189.2345 0.0000 0.0000 44733.2309 -222409.9580 162.7272 -267143.1889 -222041.2618 162.7272 -1295.5526 -2316.2729 921491.4634 -1295.5526 -2316.2729
ENERGY: 475 19674.2081 20371.7674 5712.9876 182.2512 -336604.2312 23142.3815 0.0000 0.0000 45070.2140 -222450.4214 163.9531 -267520.6354 -222039.4528 163.9531 -344.6450 -2232.2127 921491.4634 -344.6450 -2232.2127
ENERGY: 476 19235.7863 20282.0274 5715.7683 184.0125 -336100.0901 23115.8463 0.0000 0.0000 45106.0634 -222460.5859 164.0835 -267566.6493 -222053.6136 164.0835 -92.4050 -2183.0654 921491.4634 -92.4050 -2183.0654
ENERGY: 477 19704.7250 20145.9812 5718.4976 185.9230 -336101.8787 23114.2936 0.0000 0.0000 44812.3209 -222420.1373 163.0149 -267232.4582 -222044.8409 163.0149 -667.4947 -2171.8229 921491.4634 -667.4947 -2171.8229
ENERGY: 478 20493.4777 19974.7637 5721.0254 187.7262 -336537.4034 23131.2456 0.0000 0.0000 44627.0334 -222402.1313 162.3409 -267029.1647 -222047.4105 162.3409 -1807.1605 -2198.7957 921491.4634 -1807.1605 -2198.7957
ENERGY: 479 21125.3060 19793.3955 5723.3295 189.2099 -337215.5836 23156.6768 0.0000 0.0000 44802.1579 -222425.5081 162.9779 -267227.6660 -222050.5458 162.9779 -3089.8517 -2246.7919 921491.4634 -3089.8517 -2246.7919
TIMING: 480 CPU: 225.246, 0.458024/step Wall: 225.246, 0.458024/step, 0.00254458 hours remaining, 3224.257812 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 21624.0331 19623.1964 5725.3111 190.1900 -337854.6783 23181.5113 0.0000 0.0000 45051.6815 -222458.7549 163.8856 -267510.4363 -222064.6208 163.8856 -4077.7328 -2291.4893 921491.4634 -4077.7328 -2291.4893
ENERGY: 481 22092.4858 19510.0434 5727.0952 190.6351 -338199.2478 23196.7954 0.0000 0.0000 45041.3368 -222440.8562 163.8480 -267482.1930 -222052.5264 163.8480 -4466.2396 -2305.6734 921491.4634 -4466.2396 -2305.6734
ENERGY: 482 22186.3470 19466.6796 5728.4963 190.3598 -338044.5415 23192.7469 0.0000 0.0000 44865.8521 -222414.0599 163.2096 -267279.9120 -222051.4111 163.2096 -4059.3100 -2278.0617 921491.4634 -4059.3100 -2278.0617
ENERGY: 483 21553.1413 19511.5747 5729.5660 189.3227 -337426.2181 23165.8734 0.0000 0.0000 44861.8972 -222414.8428 163.1953 -267276.7400 -222048.7671 163.1953 -2964.1724 -2216.4118 921491.4634 -2964.1724 -2216.4118
ENERGY: 484 20460.8925 19631.1941 5730.2465 187.5455 -336590.8881 23126.1345 0.0000 0.0000 45003.6034 -222451.2716 163.7107 -267454.8750 -222059.8741 163.7107 -1565.2426 -2143.1851 921491.4634 -1565.2426 -2143.1851
ENERGY: 485 19688.7721 19800.2993 5730.5256 185.2458 -335902.5863 23092.8464 0.0000 0.0000 44955.5727 -222449.3245 163.5360 -267404.8972 -222045.9605 163.5360 -422.1570 -2086.8737 921491.4634 -422.1570 -2086.8737
ENERGY: 486 19602.5428 19954.8177 5729.7197 182.4662 -335612.3566 23080.3801 0.0000 0.0000 44645.9120 -222416.5181 162.4096 -267062.4301 -222044.6760 162.4096 87.3180 -2070.0983 921491.4634 87.3180 -2070.0983
ENERGY: 487 19881.0926 20072.0214 5727.4347 179.4360 -335846.4482 23091.0538 0.0000 0.0000 44503.3499 -222392.0599 161.8910 -266895.4097 -222045.2406 161.8910 -192.2348 -2106.8842 921491.4634 -192.2348 -2106.8842
ENERGY: 488 20125.2100 20156.1362 5723.5441 176.4338 -336552.5455 23118.8610 0.0000 0.0000 44827.0564 -222425.3040 163.0685 -267252.3603 -222057.1937 163.0685 -1145.7535 -2194.6682 921491.4634 -1145.7535 -2194.6682
ENERGY: 489 20526.8875 20236.4610 5718.5748 173.8639 -337540.4659 23156.7304 0.0000 0.0000 45266.1011 -222461.8471 164.6656 -267727.9482 -222045.6084 164.6656 -2511.2406 -2316.7068 921491.4634 -2511.2406 -2316.7068
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7495 20292.9023 5712.8912 171.8438 -338458.1365 23196.4872 0.0000 0.0000 45213.5634 -222459.6992 164.4745 -267673.2626 -222048.2206 164.4745 -3823.4041 -2437.4157 921491.4634 -3823.4041 -2437.4157
ENERGY: 491 22430.4645 20312.1362 5707.3795 170.5404 -338984.5797 23226.0932 0.0000 0.0000 44733.0093 -222404.9567 162.7264 -267137.9659 -222049.4636 162.7264 -4629.6937 -2524.6217 921491.4634 -4629.6937 -2524.6217
ENERGY: 492 22612.9550 20289.6813 5702.9944 170.0208 -338937.5818 23232.7200 0.0000 0.0000 44542.1953 -222387.0150 162.0323 -266929.2103 -222060.3859 162.0323 -4606.8527 -2557.4732 921491.4634 -4606.8527 -2557.4732
ENERGY: 493 21558.2189 20260.7376 5700.7779 170.3200 -338358.0632 23214.0532 0.0000 0.0000 45033.8231 -222420.1325 163.8207 -267453.9557 -222046.5900 163.8207 -3796.3822 -2540.0998 921491.4634 -3796.3822 -2540.0998
ENERGY: 494 20068.3365 20225.0263 5700.9805 171.2193 -337454.3831 23183.0791 0.0000 0.0000 45622.2475 -222483.4939 165.9612 -268105.7414 -222044.0867 165.9612 -2500.8994 -2482.1070 921491.4634 -2500.8994 -2482.1070
ENERGY: 495 19383.2462 20186.8302 5703.5926 172.5416 -336566.9879 23159.4621 0.0000 0.0000 45484.1229 -222477.1924 165.4587 -267961.3153 -222041.5563 165.4587 -1249.6838 -2407.3057 921491.4634 -1249.6838 -2407.3057
ENERGY: 496 19722.4832 20130.6472 5708.0350 174.0933 -335998.7145 23154.2632 0.0000 0.0000 44699.5267 -222409.6658 162.6046 -267109.1925 -222049.0668 162.6046 -478.8997 -2343.4752 921491.4634 -478.8997 -2343.4752
ENERGY: 497 20212.6667 20059.9175 5713.4613 175.7242 -335952.5031 23166.3543 0.0000 0.0000 44261.0285 -222363.3508 161.0095 -266624.3793 -222042.7498 161.0095 -421.0232 -2316.7929 921491.4634 -421.0232 -2316.7929
ENERGY: 498 20182.0165 19957.1214 5718.5597 177.2604 -336366.4923 23189.3583 0.0000 0.0000 44728.2529 -222413.9231 162.7091 -267142.1761 -222044.5217 162.7091 -993.4679 -2331.6473 921491.4634 -993.4679 -2331.6473
ENERGY: 499 20158.0681 19847.7307 5722.4090 178.6361 -337058.4814 23219.2402 0.0000 0.0000 45439.2637 -222493.1337 165.2956 -267932.3974 -222047.2060 165.2956 -2020.8688 -2376.3391 921491.4634 -2020.8688 -2376.3391
Info: Benchmark time: 4 CPUs 0.457361 s/step 5.29353 days/ns 3224.26 MB memory
TIMING: 500 CPU: 234.33, 0.454202/step Wall: 234.33, 0.454202/step, 0 hours remaining, 3224.257812 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 20974.8941 19756.6582 5724.4523 179.8271 -337741.4186 23251.1007 0.0000 0.0000 45359.0769 -222495.4092 165.0039 -267854.4861 -222061.0910 165.0039 -3197.5169 -2425.4143 921491.4634 -3197.5169 -2425.4143
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, 3229.551 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.551 MB of memory in use
====================================================
WallClock: 241.149277 CPUTime: 241.149277 Memory: 3229.550781 MB
[Partition 0][Node 0] End of program
Application 102322508 resources: utime ~948s, stime ~19s, Rss ~127176, inblocks ~67175, outblocks ~72238
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins6833877108663715425.sh
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/memory
Finished: SUCCESS
![[Jenkins]](/static/755cd4af/images/svgs/logo.svg){kind=logo}
