Skipping 718 KB..
Full Log
ENERGY: 86 22361.2996 19720.3242 5758.5583 173.6091 -332514.8437 22921.5212 0.0000 0.0000 39480.2342 -222099.2972 143.6182 -261579.5314 -222396.4727 143.6182 -1408.4308 -1992.0456 921491.4634 -1408.4308 -1992.0456
ENERGY: 87 21898.5873 20858.8153 5750.7775 172.4431 -333299.4427 22859.7331 0.0000 0.0000 39513.3019 -222245.7845 143.7385 -261759.0864 -222398.3221 143.7385 -1739.2135 -2002.6067 921491.4634 -1739.2135 -2002.6067
ENERGY: 88 19807.2124 21236.1263 5737.2297 173.3188 -334313.4194 22793.0785 0.0000 0.0000 42007.3339 -222559.1198 152.8111 -264566.4538 -222408.9127 152.8111 -2036.3958 -2043.8954 921491.4634 -2036.3958 -2043.8954
ENERGY: 89 20138.2921 20745.5546 5719.3133 176.3160 -335202.8321 22743.6988 0.0000 0.0000 43113.7497 -222565.9074 156.8360 -265679.6572 -222389.0013 156.8360 -2409.8246 -2071.1686 921491.4634 -2409.8246 -2071.1686
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 90 22711.6048 19691.0676 5699.8921 181.1111 -335712.1129 22705.2745 0.0000 0.0000 42377.6758 -222345.4869 154.1583 -264723.1627 -222389.2092 154.1583 -2670.9832 -2080.5817 921491.4634 -2670.9832 -2080.5817
ENERGY: 91 23737.5989 18627.1144 5683.0577 187.2277 -335678.4155 22643.5818 0.0000 0.0000 42539.3829 -222260.4520 154.7466 -264799.8350 -222388.3579 154.7466 -2499.0954 -2078.8098 921491.4634 -2499.0954 -2078.8098
ENERGY: 92 21523.8221 18060.4535 5672.6738 194.0387 -335129.0783 22543.7115 0.0000 0.0000 44665.3078 -222469.0708 162.4801 -267134.3787 -222389.6058 162.4801 -1910.9683 -2078.9076 921491.4634 -1910.9683 -2078.9076
ENERGY: 93 18788.3598 18281.5994 5671.3717 200.9119 -334319.2922 22433.7892 0.0000 0.0000 46311.8833 -222631.3770 168.4699 -268943.2603 -222367.8860 168.4699 -1385.1718 -2068.2565 921491.4634 -1385.1718 -2068.2565
ENERGY: 94 18530.9328 19242.9913 5679.4418 207.1113 -333693.3059 22351.2077 0.0000 0.0000 45144.9171 -222536.7039 164.2248 -267681.6210 -222367.0864 164.2248 -1347.2600 -2063.4575 921491.4634 -1347.2600 -2063.4575
ENERGY: 95 20040.4586 20654.3435 5695.3527 212.0382 -333603.6975 22302.2586 0.0000 0.0000 42387.6997 -222311.5462 154.1948 -264699.2459 -222367.4633 154.1948 -1793.7082 -2083.6407 921491.4634 -1793.7082 -2083.6407
ENERGY: 96 20584.1064 22050.3787 5716.0483 215.1945 -334091.8990 22265.7316 0.0000 0.0000 40970.7076 -222289.7317 149.0402 -263260.4393 -222356.3661 149.0402 -2389.6990 -2142.8256 921491.4634 -2389.6990 -2142.8256
ENERGY: 97 19809.1309 22949.2011 5737.7476 216.2279 -334886.9639 22225.8322 0.0000 0.0000 41505.2398 -222443.5845 150.9847 -263948.8243 -222346.5815 150.9847 -2891.9374 -2214.1665 921491.4634 -2891.9374 -2214.1665
ENERGY: 98 19979.7556 22958.8353 5756.3117 214.8681 -335616.8430 22188.2114 0.0000 0.0000 41993.4227 -222525.4382 152.7605 -264518.8609 -222347.6398 152.7605 -3206.5490 -2272.3421 921491.4634 -3206.5490 -2272.3421
ENERGY: 99 22029.8952 22024.0796 5768.5777 211.0972 -336009.8229 22159.4701 0.0000 0.0000 41425.1769 -222391.5263 150.6934 -263816.7032 -222348.0705 150.6934 -3235.8098 -2296.7687 921491.4634 -3235.8098 -2296.7687
LDB: ============= START OF LOAD BALANCING ============== 54.6092
LDB: Largest compute 200 load 0.430926 is 1.2% of average load 36.846162
LDB: Average compute 0.051621 is 0.1% of average load 36.846162
LDB: Partitioning computes with target load 3.684616
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055118
LDB: ============== END OF LOAD BALANCING =============== 54.6114
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.6122
Info: Initial time: 4 CPUs 0.474709 s/step 5.49432 days/ns 3221.53 MB memory
TIMING: 100 CPU: 48.4458, 0.473706/step Wall: 48.4458, 0.473706/step, 0.052634 hours remaining, 3221.527344 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 100 23587.3020 20475.3730 5773.0376 205.1509 -335896.4624 22125.7987 0.0000 0.0000 41455.8050 -222273.9951 150.8048 -263729.8001 -222326.1726 150.8048 -2788.3920 -2294.3880 921491.4634 -2788.3920 -2294.3880
ENERGY: 101 22287.3000 18933.8503 5770.3900 197.5201 -335238.2414 22065.3980 0.0000 0.0000 43590.2956 -222393.4875 158.5695 -265983.7831 -222319.4707 158.5695 -1880.2673 -2262.6846 921491.4634 -1880.2673 -2262.6846
ENERGY: 102 19420.3335 17951.6562 5762.8059 188.8891 -334088.2235 21980.7895 0.0000 0.0000 46153.7218 -222630.0275 167.8946 -268783.7492 -222317.3982 167.8946 -924.5795 -2215.2271 921491.4634 -924.5795 -2215.2271
ENERGY: 103 18429.6589 17794.2511 5753.5002 180.0834 -332765.4447 21898.9792 0.0000 0.0000 46061.5884 -222647.3835 167.5594 -268708.9719 -222315.0116 167.5594 -521.9323 -2162.1475 921491.4634 -521.9323 -2162.1475
ENERGY: 104 20135.5162 18313.1193 5745.4365 171.9705 -331716.6193 21838.6802 0.0000 0.0000 43114.8219 -222397.0748 156.8399 -265511.8967 -222300.0342 156.8399 -904.7452 -2132.5694 921491.4634 -904.7452 -2132.5694
ENERGY: 105 21674.8148 19112.5119 5740.5773 165.3638 -331353.5905 21791.8563 0.0000 0.0000 40663.3131 -222205.1533 147.9220 -262868.4664 -222297.2862 147.9220 -1781.0302 -2140.0925 921491.4634 -1781.0302 -2140.0925
ENERGY: 106 20688.3526 19760.1603 5739.0355 160.9482 -331684.6912 21743.4748 0.0000 0.0000 41270.8908 -222321.8289 150.1322 -263592.7197 -222299.8103 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 -222571.7736 158.0680 -266024.1966 -222302.3924 158.0680 -3435.4055 -2264.9714 921491.4634 -3435.4055 -2264.9714
ENERGY: 108 19374.7527 19955.6334 5740.9974 160.1493 -333435.9264 21654.4583 0.0000 0.0000 43952.1728 -222597.7626 159.8859 -266549.9354 -222305.0565 159.8859 -3989.5484 -2325.7046 921491.4634 -3989.5484 -2325.7046
ENERGY: 109 22394.0521 19651.8554 5740.7059 163.7566 -334323.6678 21623.9120 0.0000 0.0000 42380.9037 -222368.4821 154.1701 -264749.3858 -222289.2484 154.1701 -4162.2877 -2354.5142 921491.4634 -4162.2877 -2354.5142
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 110 24310.7313 19315.3190 5736.8740 169.5643 -334907.1599 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 19186.3866 5728.6091 176.9885 -335028.8260 21518.8536 0.0000 0.0000 43385.4034 -222371.9911 157.8242 -265757.3945 -222286.8997 157.8242 -2331.3777 -2338.2312 921491.4634 -2331.3777 -2338.2312
ENERGY: 112 19381.8200 19463.5168 5716.4074 185.3624 -334677.6373 21440.9489 0.0000 0.0000 45860.8185 -222628.7634 166.8291 -268489.5819 -222302.4569 166.8291 -894.2293 -2309.1963 921491.4634 -894.2293 -2309.1963
ENERGY: 113 18216.1582 20180.8082 5702.4491 194.0323 -334046.4824 21376.2232 0.0000 0.0000 45761.5815 -222615.2300 166.4681 -268376.8115 -222273.7401 166.4681 -55.6424 -2273.8625 921491.4634 -55.6424 -2273.8625
ENERGY: 114 19843.9972 21062.4093 5689.3793 202.2945 -333472.4288 21337.7637 0.0000 0.0000 42964.6870 -222371.8977 156.2937 -265336.5848 -222272.2453 156.2937 -128.5963 -2261.6571 921491.4634 -128.5963 -2261.6571
ENERGY: 115 21448.4486 21679.6561 5680.2429 209.5308 -333239.9680 21316.4508 0.0000 0.0000 40710.1056 -222195.5332 148.0922 -262905.6388 -222272.7007 148.0922 -905.3247 -2296.5621 921491.4634 -905.3247 -2296.5621
ENERGY: 116 20838.2583 21694.4196 5677.2615 215.2237 -333429.0369 21301.4964 0.0000 0.0000 41385.0931 -222317.2844 150.5476 -263702.3775 -222276.5258 150.5476 -2000.5239 -2380.1423 921491.4634 -2000.5239 -2380.1423
ENERGY: 117 19309.7303 21105.1712 5681.4214 219.0426 -333858.2255 21295.0742 0.0000 0.0000 43733.0002 -222514.7856 159.0886 -266247.7858 -222254.7027 159.0886 -3196.9893 -2479.5443 921491.4634 -3196.9893 -2479.5443
ENERGY: 118 19488.7485 20180.1712 5691.5867 220.7069 -334305.8420 21303.6951 0.0000 0.0000 44852.5144 -222568.4192 163.1611 -267420.9336 -222257.5959 163.1611 -4287.8518 -2560.8627 921491.4634 -4287.8518 -2560.8627
ENERGY: 119 21608.8170 19327.4370 5705.7183 220.1523 -334582.5769 21318.6507 0.0000 0.0000 43971.5397 -222430.2619 159.9564 -266401.8016 -222258.7221 159.9564 -4948.0951 -2603.4635 921491.4634 -4948.0951 -2603.4635
LDB: ============= START OF LOAD BALANCING ============== 64.0679
LDB: ============== END OF LOAD BALANCING =============== 64.068
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.0685
TIMING: 120 CPU: 57.9017, 0.472795/step Wall: 57.9017, 0.472795/step, 0.0499061 hours remaining, 3221.707031 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 18843.5010 5721.1111 217.5091 -334559.3220 21317.8986 0.0000 0.0000 42838.0029 -222342.5510 155.8329 -265180.5539 -222260.9693 155.8329 -4802.3838 -2609.8232 921491.4634 -4802.3838 -2609.8232
ENERGY: 121 22753.8286 18833.9841 5735.1155 213.1885 -334109.3887 21287.1663 0.0000 0.0000 42902.9081 -222383.1976 156.0690 -265286.1057 -222238.8456 156.0690 -3789.7329 -2573.0323 921491.4634 -3789.7329 -2573.0323
ENERGY: 122 20911.3204 19183.7912 5744.9150 207.6394 -333246.0911 21235.0876 0.0000 0.0000 43471.2678 -222492.0698 158.1365 -265963.3376 -222236.2048 158.1365 -2259.2350 -2503.9465 921491.4634 -2259.2350 -2503.9465
ENERGY: 123 19716.6566 19702.2262 5748.9495 201.5075 -332195.6665 21181.3172 0.0000 0.0000 43159.1486 -222485.8610 157.0011 -265645.0096 -222233.3016 157.0011 -827.7757 -2423.1751 921491.4634 -827.7757 -2423.1751
ENERGY: 124 19701.7331 20151.8502 5747.1965 195.4812 -331340.9825 21138.0467 0.0000 0.0000 42008.6529 -222398.0219 152.8159 -264406.6748 -222234.8510 152.8159 8.3516 -2371.2952 921491.4634 8.3516 -2371.2952
ENERGY: 125 19961.8490 20319.7042 5741.5018 190.2907 -331002.3876 21106.9631 0.0000 0.0000 41347.6159 -222334.4630 150.4113 -263682.0789 -222218.5353 150.4113 16.1239 -2370.5229 921491.4634 16.1239 -2370.5229
ENERGY: 126 19913.8782 20060.3740 5734.4100 186.3237 -331257.3388 21089.4917 0.0000 0.0000 41888.6055 -222384.2558 152.3792 -264272.8613 -222220.0406 152.3792 -757.3346 -2430.8872 921491.4634 -757.3346 -2430.8872
ENERGY: 127 20034.1248 19457.5518 5728.8730 183.8512 -331985.2681 21088.4980 0.0000 0.0000 43047.2720 -222445.0974 156.5941 -265492.3694 -222223.2519 156.5941 -2122.5054 -2533.3235 921491.4634 -2122.5054 -2533.3235
ENERGY: 128 20681.9269 18818.3077 5727.0308 182.9174 -332977.2827 21101.0436 0.0000 0.0000 44006.3124 -222459.7439 160.0829 -266466.0563 -222232.5708 160.0829 -3698.9566 -2655.1908 921491.4634 -3698.9566 -2655.1908
ENERGY: 129 21368.2886 18554.7975 5729.8505 183.4688 -333997.8249 21115.0501 0.0000 0.0000 44607.0892 -222439.2803 162.2683 -267046.3695 -222215.2567 162.2683 -4993.9820 -2763.9222 921491.4634 -4993.9820 -2763.9222
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 130 21553.6087 18898.7760 5736.4508 185.0194 -334776.0135 21118.0422 0.0000 0.0000 44811.1496 -222472.9668 163.0106 -267284.1164 -222216.5366 163.0106 -5536.0555 -2842.3154 921491.4634 -5536.0555 -2842.3154
ENERGY: 131 21530.9955 19804.6626 5745.0872 187.0957 -335083.2642 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 20951.9796 5753.4447 189.2233 -334841.7367 21081.3851 0.0000 0.0000 42732.1266 -222437.0592 155.4477 -265169.1857 -222222.8148 155.4477 -4015.6410 -2856.5553 921491.4634 -4015.6410 -2856.5553
ENERGY: 133 21569.7010 21939.4304 5759.4053 191.1377 -334187.7138 21049.8506 0.0000 0.0000 41346.5715 -222331.6173 150.4075 -263678.1888 -222209.0243 150.4075 -2436.6193 -2806.2333 921491.4634 -2436.6193 -2806.2333
ENERGY: 134 20380.1719 22407.7420 5761.0449 192.4922 -333420.8524 21018.0949 0.0000 0.0000 41320.1608 -222341.1456 150.3114 -263661.3065 -222206.0449 150.3114 -846.9780 -2759.4267 921491.4634 -846.9780 -2759.4267
ENERGY: 135 18735.1493 22221.9399 5757.7067 193.2251 -332860.3440 20999.0422 0.0000 0.0000 42497.1276 -222456.1532 154.5929 -264953.2808 -222204.4871 154.5929 191.9083 -2745.1432 921491.4634 191.9083 -2745.1432
ENERGY: 136 18381.4540 21453.0791 5750.0867 193.4037 -332655.7489 21006.3295 0.0000 0.0000 43348.3540 -222523.0420 157.6894 -265871.3960 -222211.0696 157.6894 198.1850 -2776.3543 921491.4634 198.1850 -2776.3543
ENERGY: 137 19975.5716 20347.8313 5740.3098 193.2572 -332832.5920 21040.1067 0.0000 0.0000 43092.4468 -222443.0686 156.7585 -265535.5154 -222209.8940 156.7585 -927.2503 -2841.0685 921491.4634 -927.2503 -2841.0685
ENERGY: 138 21874.8525 19195.4802 5730.8549 192.8766 -333203.4345 21083.5324 0.0000 0.0000 42784.9638 -222340.8741 155.6399 -265125.8379 -222213.1818 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
ENERGY: 139 22116.0296 18330.1126 5724.2506 192.4679 -333575.3364 21115.6333 0.0000 0.0000 43705.6787 -222391.1638 158.9892 -266096.8425 -222217.3491 158.9892 -4443.4108 -3015.1529 921491.4634 -4443.4108 -3015.1529
TIMING: 140 CPU: 67.3488, 0.472353/step Wall: 67.3488, 0.472353/step, 0.0472353 hours remaining, 3221.906250 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 20992.5977 17997.1579 5722.1741 192.2140 -333726.9445 21127.4061 0.0000 0.0000 45144.2512 -222551.1436 164.2224 -267695.3948 -222224.0365 164.2224 -5617.7628 -3080.3639 921491.4634 -5617.7628 -3080.3639
ENERGY: 141 20605.2147 18251.9196 5725.3083 192.2642 -333525.1327 21120.3060 0.0000 0.0000 45039.8863 -222590.2335 163.8427 -267630.1198 -222215.3923 163.8427 -6017.5039 -3087.0006 921491.4634 -6017.5039 -3087.0006
ENERGY: 142 21702.7400 18860.4299 5732.9228 192.6003 -332879.0283 21093.2714 0.0000 0.0000 42868.0673 -222428.9966 155.9422 -265297.0639 -222213.3923 155.9422 -5532.0377 -3029.5548 921491.4634 -5532.0377 -3029.5548
ENERGY: 143 22457.6180 19468.7636 5743.5741 193.1827 -331957.5935 21040.0377 0.0000 0.0000 40797.9947 -222256.4227 148.4119 -263054.4173 -222209.6227 148.4119 -4179.8278 -2928.5088 921491.4634 -4179.8278 -2928.5088
ENERGY: 144 21007.3341 19787.0057 5755.2166 193.9151 -331097.8396 20965.2215 0.0000 0.0000 41087.3101 -222301.8365 149.4643 -263389.1467 -222194.0941 149.4643 -2265.2408 -2825.3504 921491.4634 -2265.2408 -2825.3504
ENERGY: 145 18390.7601 19760.7602 5765.7577 194.6436 -330692.1922 20892.9233 0.0000 0.0000 43191.0817 -222496.2656 157.1173 -265687.3474 -222180.9593 157.1173 -495.5029 -2742.5238 921491.4634 -495.5029 -2742.5238
ENERGY: 146 17494.3906 19517.0963 5773.0763 195.1974 -330883.4474 20850.7305 0.0000 0.0000 44468.0626 -222584.8937 161.7626 -267052.9563 -222180.0853 161.7626 380.5832 -2698.3695 921491.4634 380.5832 -2698.3695
ENERGY: 147 19349.0816 19284.4051 5776.1299 195.3841 -331633.2790 20843.7953 0.0000 0.0000 43729.9297 -222454.5535 159.0775 -266184.4832 -222180.7856 159.0775 12.4495 -2697.6200 921491.4634 12.4495 -2697.6200
ENERGY: 148 21731.1609 19240.1450 5775.1361 195.0156 -332748.3461 20852.0477 0.0000 0.0000 42647.1432 -222307.6974 155.1386 -264954.8406 -222173.9044 155.1386 -1313.5162 -2742.2255 921491.4634 -1313.5162 -2742.2255
ENERGY: 149 22154.0982 19476.6230 5771.6403 193.9272 -333952.9656 20853.5364 0.0000 0.0000 43165.2619 -222337.8786 157.0234 -265503.1405 -222149.8014 157.0234 -2998.4811 -2814.2281 921491.4634 -2998.4811 -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 21015.8993 19956.3833 5767.3089 192.0924 -334899.3754 20845.5771 0.0000 0.0000 44606.5897 -222515.5248 162.2665 -267122.1144 -222153.2669 162.2665 -4472.9373 -2881.9211 921491.4634 -4472.9373 -2881.9211
ENERGY: 151 20656.1100 20586.9274 5763.7530 189.5631 -335303.4338 20835.7247 0.0000 0.0000 44710.6378 -222560.7179 162.6450 -267271.3557 -222155.1382 162.6450 -5407.8406 -2907.6331 921491.4634 -5407.8406 -2907.6331
ENERGY: 152 21757.0223 21203.4201 5761.8055 186.4838 -335072.1085 20820.7501 0.0000 0.0000 42914.6705 -222427.9563 156.1118 -265342.6268 -222175.0515 156.1118 -5552.0271 -2878.0875 921491.4634 -5552.0271 -2878.0875
ENERGY: 153 22396.4538 21618.6020 5761.5688 183.0547 -334307.6858 20787.1624 0.0000 0.0000 41296.2810 -222264.5631 150.2245 -263560.8441 -222152.0203 150.2245 -4765.4776 -2800.4121 921491.4634 -4765.4776 -2800.4121
ENERGY: 154 20952.1345 21640.3345 5761.9239 179.5647 -333344.9134 20735.3659 0.0000 0.0000 41746.1291 -222329.4608 151.8609 -264075.5899 -222148.7915 151.8609 -3178.1875 -2707.3605 921491.4634 -3178.1875 -2707.3605
ENERGY: 155 18734.5492 21249.5939 5761.4993 176.3183 -332564.0955 20691.4724 0.0000 0.0000 43448.4574 -222502.2051 158.0535 -265950.6625 -222145.9854 158.0535 -1408.3064 -2623.9032 921491.4634 -1408.3064 -2623.9032
ENERGY: 156 18312.4484 20599.9073 5758.8570 173.6449 -332218.9148 20684.3829 0.0000 0.0000 44137.5522 -222552.1220 160.5603 -266689.6743 -222166.8049 160.5603 -219.5096 -2571.5313 921491.4634 -219.5096 -2571.5313
ENERGY: 157 20043.0837 19943.2665 5753.0946 171.8900 -332363.0660 20715.7865 0.0000 0.0000 43325.6934 -222410.2513 157.6070 -265735.9446 -222155.5011 157.6070 -38.8543 -2554.7665 921491.4634 -38.8543 -2554.7665
ENERGY: 158 21695.0846 19425.3239 5743.5667 171.3409 -332829.8103 20761.5805 0.0000 0.0000 42713.6820 -222319.2317 155.3806 -265032.9137 -222157.3222 155.3806 -715.5935 -2586.7969 921491.4634 -715.5935 -2586.7969
ENERGY: 159 21695.6536 19084.6410 5730.9315 172.1899 -333376.4008 20800.7929 0.0000 0.0000 43483.6004 -222408.5915 158.1814 -265892.1919 -222160.0971 158.1814 -1882.1012 -2660.7875 921491.4634 -1882.1012 -2660.7875
TIMING: 160 CPU: 76.7866, 0.471892/step Wall: 76.7866, 0.471892/step, 0.0445676 hours remaining, 3222.046875 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 21093.2843 18859.3046 5717.0749 174.4916 -333735.9156 20833.5471 0.0000 0.0000 44515.8596 -222542.3534 161.9365 -267058.2130 -222175.6788 161.9365 -3202.8705 -2752.7604 921491.4634 -3202.8705 -2752.7604
ENERGY: 161 21561.6001 18685.5960 5704.9782 178.2042 -333710.7599 20865.7132 0.0000 0.0000 44220.7113 -222493.9568 160.8628 -266714.6681 -222160.9740 160.8628 -4385.1102 -2823.4851 921491.4634 -4385.1102 -2823.4851
ENERGY: 162 22512.8125 18508.1493 5697.2826 183.0024 -333202.6499 20887.8856 0.0000 0.0000 43070.6067 -222342.9106 156.6790 -265413.5173 -222161.4908 156.6790 -5004.1554 -2859.8871 921491.4634 -5004.1554 -2859.8871
ENERGY: 163 21937.9853 18346.8657 5696.1509 188.4544 -332368.8226 20884.6196 0.0000 0.0000 43005.6961 -222309.0506 156.4429 -265314.7467 -222160.7802 156.4429 -4776.8220 -2868.7270 921491.4634 -4776.8220 -2868.7270
ENERGY: 164 19652.8067 18261.0401 5702.5306 194.0206 -331567.4472 20861.9109 0.0000 0.0000 44426.5344 -222468.6039 161.6115 -266895.1383 -222170.9035 161.6115 -3836.1733 -2870.4449 921491.4634 -3836.1733 -2870.4449
ENERGY: 165 18074.0953 18343.8150 5716.1638 199.2019 -331183.0468 20849.6743 0.0000 0.0000 45425.8564 -222574.2402 165.2468 -268000.0965 -222153.1699 165.2468 -2737.5186 -2867.1447 921491.4634 -2737.5186 -2867.1447
ENERGY: 166 18979.7070 18650.1653 5734.9735 203.3281 -331407.1003 20870.8939 0.0000 0.0000 44483.6889 -222484.3436 161.8194 -266968.0325 -222151.2328 161.8194 -1964.3636 -2870.3839 921491.4634 -1964.3636 -2870.3839
ENERGY: 167 21026.8307 19216.2866 5755.9248 205.8794 -332212.1861 20917.6388 0.0000 0.0000 42775.8062 -222313.8196 155.6066 -265089.6258 -222150.5299 155.6066 -1671.2499 -2889.5868 921491.4634 -1671.2499 -2889.5868
ENERGY: 168 21619.4182 19999.6887 5775.3367 206.4584 -333382.4927 20963.4338 0.0000 0.0000 42492.3350 -222325.8219 154.5754 -264818.1569 -222149.7710 154.5754 -1735.9904 -2933.5976 921491.4634 -1735.9904 -2933.5976
ENERGY: 169 20648.4665 20870.4067 5789.9166 204.9287 -334596.5071 20994.5723 0.0000 0.0000 43600.1909 -222488.0254 158.6055 -266088.2164 -222133.5319 158.6055 -2095.8776 -2988.7947 921491.4634 -2095.8776 -2988.7947
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 170 20485.0013 21574.3798 5797.0542 201.1981 -335480.2501 21017.8094 0.0000 0.0000 43834.2688 -222570.5385 159.4570 -266404.8074 -222135.2423 159.4570 -2696.1966 -3030.4960 921491.4634 -2696.1966 -3030.4960
ENERGY: 171 22225.3641 21884.1724 5796.1347 195.5169 -335757.0015 21036.7488 0.0000 0.0000 42205.8539 -222413.2107 153.5333 -264619.0647 -222135.5895 153.5333 -3373.1625 -3035.3578 921491.4634 -3373.1625 -3035.3578
ENERGY: 172 23612.5241 21689.2902 5788.4217 188.3823 -335345.7506 21036.2039 0.0000 0.0000 40787.7256 -222243.2028 148.3745 -263030.9284 -222132.3044 148.3745 -3754.4379 -3004.4812 921491.4634 -3754.4379 -3004.4812
ENERGY: 173 22089.5493 21081.4669 5776.7002 180.5475 -334414.6777 21003.0505 0.0000 0.0000 41986.3985 -222296.9648 152.7350 -264283.3633 -222121.1462 152.7350 -3608.5986 -2944.3814 921491.4634 -3608.5986 -2944.3814
ENERGY: 174 18699.8474 20250.6915 5763.7521 172.7179 -333314.9342 20954.5022 0.0000 0.0000 44924.4952 -222548.9279 163.4230 -267473.4231 -222120.6680 163.4230 -3086.0088 -2871.4631 921491.4634 -3086.0088 -2871.4631
ENERGY: 175 17219.9376 19455.5734 5752.1494 165.6559 -332464.6997 20928.3118 0.0000 0.0000 46291.0144 -222652.0571 168.3940 -268943.0715 -222120.1887 168.3940 -2676.4055 -2794.4451 921491.4634 -2676.4055 -2794.4451
ENERGY: 176 19195.1039 18891.7629 5743.5896 160.0071 -332124.2130 20943.2095 0.0000 0.0000 44722.5120 -222468.0279 162.6882 -267190.5399 -222127.3370 162.6882 -2658.3221 -2727.5044 921491.4634 -2658.3221 -2727.5044
ENERGY: 177 21863.3196 18664.1735 5738.9484 156.2659 -332371.2413 20981.6519 0.0000 0.0000 42714.2625 -222252.6196 155.3827 -264966.8821 -222125.5137 155.3827 -2870.6846 -2681.8089 921491.4634 -2870.6846 -2681.8089
ENERGY: 178 21917.7900 18733.9559 5737.6245 154.5770 -332975.2977 21015.2133 0.0000 0.0000 43101.1544 -222314.9825 156.7902 -265416.1370 -222126.1322 156.7902 -2936.2255 -2665.7682 921491.4634 -2936.2255 -2665.7682
ENERGY: 179 20058.5719 19018.0840 5738.2698 154.9022 -333648.1819 21038.3004 0.0000 0.0000 45070.9164 -222569.1373 163.9556 -267640.0537 -222127.1794 163.9556 -2805.2707 -2668.3444 921491.4634 -2805.2707 -2668.3444
TIMING: 180 CPU: 86.2145, 0.471392/step Wall: 86.2145, 0.471392/step, 0.0419015 hours remaining, 3222.187500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 180 19770.2942 19384.7964 5738.8341 156.9935 -334084.3526 21065.2916 0.0000 0.0000 45324.2214 -222643.9213 164.8771 -267968.1427 -222142.6346 164.8771 -2684.8628 -2671.3561 921491.4634 -2684.8628 -2671.3561
ENERGY: 181 22122.8094 19693.8083 5737.3498 160.4696 -334134.1970 21097.1423 0.0000 0.0000 42906.0429 -222416.5747 156.0804 -265322.6176 -222134.4683 156.0804 -2655.0378 -2656.7563 921491.4634 -2655.0378 -2656.7563
ENERGY: 182 23922.3457 19800.0773 5732.0748 164.8150 -333691.2986 21109.5294 0.0000 0.0000 40770.0178 -222192.4385 148.3101 -262962.4564 -222132.7636 148.3101 -2461.5986 -2635.7203 921491.4634 -2461.5986 -2635.7203
ENERGY: 183 22149.3488 19677.1534 5722.7616 169.5349 -332921.8740 21084.4912 0.0000 0.0000 41834.8233 -222283.7608 152.1836 -264118.5841 -222131.2592 152.1836 -1990.8047 -2626.5158 921491.4634 -1990.8047 -2626.5158
ENERGY: 184 18376.8757 19424.9915 5710.5468 174.1844 -332181.9083 21042.4480 0.0000 0.0000 44880.5526 -222572.3092 163.2631 -267452.8618 -222144.6143 163.2631 -1576.6177 -2645.2274 921491.4634 -1576.6177 -2645.2274
ENERGY: 185 16957.7745 19234.6872 5697.7241 178.4155 -331895.6963 21023.9444 0.0000 0.0000 46149.4987 -222653.6519 167.8792 -268803.1506 -222128.1657 167.8792 -1752.9884 -2679.2077 921491.4634 -1752.9884 -2679.2077
ENERGY: 186 19266.0406 19234.9569 5686.4352 181.9571 -332240.0938 21043.7460 0.0000 0.0000 44391.5887 -222435.3693 161.4844 -266826.9579 -222129.2889 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2968 19471.4301 5678.7398 184.6336 -333156.1127 21076.9265 0.0000 0.0000 42449.0055 -222222.0802 154.4178 -264671.0858 -222130.9081 154.4178 -3641.8536 -2802.0866 921491.4634 -3641.8536 -2802.0866
ENERGY: 188 22101.1830 19886.6771 5676.0119 186.3502 -334382.7610 21093.9045 0.0000 0.0000 43113.1614 -222325.4728 156.8338 -265438.6342 -222135.3910 156.8338 -4316.2654 -2887.0591 921491.4634 -4316.2654 -2887.0591
ENERGY: 189 20394.2462 20391.8599 5678.8863 187.1154 -335558.5038 21096.5841 0.0000 0.0000 45245.6387 -222564.1733 164.5912 -267809.8120 -222116.4325 164.5912 -4451.6369 -2950.0786 921491.4634 -4451.6369 -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 20342.0725 20848.4446 5686.3597 187.0164 -336318.7430 21106.5488 0.0000 0.0000 45533.2633 -222615.0376 165.6375 -268148.3009 -222116.1592 165.6375 -4141.9210 -2962.8209 921491.4634 -4141.9210 -2962.8209
ENERGY: 191 22534.8505 21157.2824 5696.5257 186.2614 -336419.5249 21124.8645 0.0000 0.0000 43330.7335 -222389.0068 157.6253 -265719.7403 -222114.1142 157.6253 -3471.5976 -2915.5480 921491.4634 -3471.5976 -2915.5480
ENERGY: 192 23768.4831 21244.3746 5706.8010 185.1520 -335814.4790 21125.1404 0.0000 0.0000 41560.2536 -222224.2742 151.1848 -263784.5278 -222108.6419 151.1848 -2412.4655 -2830.7902 921491.4634 -2412.4655 -2830.7902
ENERGY: 193 21710.8596 21097.1072 5714.9848 184.0569 -334711.3258 21092.9043 0.0000 0.0000 42578.8347 -222332.5783 154.8901 -264911.4130 -222093.8904 154.8901 -1181.4695 -2735.1545 921491.4634 -1181.4695 -2735.1545
ENERGY: 194 18383.3650 20711.5281 5719.3482 183.2863 -333492.4632 21054.1041 0.0000 0.0000 44867.8135 -222573.0180 163.2168 -267440.8315 -222092.1689 163.2168 -314.8316 -2651.4482 921491.4634 -314.8316 -2651.4482
ENERGY: 195 17581.7012 20169.9815 5719.7968 183.0839 -332603.8310 21048.2210 0.0000 0.0000 45307.7484 -222593.2981 164.8171 -267901.0465 -222091.6062 164.8171 -398.0878 -2592.7756 921491.4634 -398.0878 -2592.7756
ENERGY: 196 19755.8662 19594.9320 5717.4229 183.5644 -332319.6952 21082.8580 0.0000 0.0000 43603.6155 -222381.4362 158.6180 -265985.0517 -222096.3128 158.6180 -1480.5939 -2574.8092 921491.4634 -1480.5939 -2574.8092
ENERGY: 197 21700.3670 19122.7580 5714.1451 184.7200 -332668.2732 21129.4588 0.0000 0.0000 42574.3654 -222242.4588 154.8738 -264816.8242 -222086.7181 154.8738 -3040.7436 -2596.5494 921491.4634 -3040.7436 -2596.5494
ENERGY: 198 21224.0060 18800.3006 5711.3574 186.3640 -333385.4999 21161.1534 0.0000 0.0000 43911.2863 -222391.0321 159.7372 -266302.3184 -222090.4393 159.7372 -4381.6807 -2646.7679 921491.4634 -4381.6807 -2646.7679
ENERGY: 199 20113.4047 18634.4040 5710.3429 188.2374 -334151.8588 21182.1778 0.0000 0.0000 45722.9588 -222600.3331 166.3276 -268323.2920 -222093.2752 166.3276 -5152.2284 -2691.5412 921491.4634 -5152.2284 -2691.5412
LDB: ============= START OF LOAD BALANCING ============== 101.807
LDB: Largest compute 200 load 0.425998 is 1.2% of average load 36.662587
LDB: Average compute 0.051359 is 0.1% of average load 36.662587
LDB: TIME 101.809 LOAD: AVG 36.6626 MAX 37.7385 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.53 MB
LDB: TIME 101.811 LOAD: AVG 36.6626 MAX 37.5617 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.53 MB
LDB: ============== END OF LOAD BALANCING =============== 101.813
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.816
Info: Initial time: 4 CPUs 0.471897 s/step 5.46177 days/ns 3223.97 MB memory
TIMING: 200 CPU: 95.6454, 0.471546/step Wall: 95.6454, 0.471546/step, 0.0392955 hours remaining, 3223.968750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6836 18595.6350 5711.8747 190.0258 -334670.2813 21209.9248 0.0000 0.0000 45319.1601 -222569.9773 164.8586 -267889.1374 -222114.5246 164.8586 -5241.8524 -2703.6812 921491.4634 -5241.8524 -2703.6812
ENERGY: 201 23380.1030 18674.3333 5716.2802 191.4188 -334751.7134 21239.1341 0.0000 0.0000 43222.4695 -222327.9743 157.2315 -265550.4439 -222100.1079 157.2315 -4546.2004 -2661.1900 921491.4634 -4546.2004 -2661.1900
ENERGY: 202 23622.8118 18850.8450 5722.5980 192.1474 -334305.3010 21243.2753 0.0000 0.0000 42432.5588 -222241.0648 154.3580 -264673.6236 -222096.8292 154.3580 -3005.0519 -2588.0013 921491.4634 -3005.0519 -2588.0013
ENERGY: 203 20743.8947 19130.0390 5729.2400 192.0764 -333501.9376 21215.8255 0.0000 0.0000 44059.6986 -222431.1635 160.2771 -266490.8621 -222093.6428 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
ENERGY: 204 17862.6126 19486.9556 5734.1463 191.2124 -332722.2204 21188.8404 0.0000 0.0000 45629.4720 -222628.9812 165.9875 -268258.4531 -222116.7004 165.9875 452.9931 -2462.2930 921491.4634 452.9931 -2462.2930
ENERGY: 205 18189.0791 19868.9413 5735.7153 189.6741 -332398.2554 21197.9187 0.0000 0.0000 44690.7150 -222526.2119 162.5725 -267216.9269 -222099.8063 162.5725 731.8534 -2447.6354 921491.4634 731.8534 -2447.6354
ENERGY: 206 20668.8902 20170.9985 5732.9811 187.6404 -332716.3436 21241.8392 0.0000 0.0000 42439.0585 -222274.9359 154.3816 -264713.9943 -222100.3399 154.3816 -230.6568 -2488.2938 921491.4634 -230.6568 -2488.2938
ENERGY: 207 21693.8032 20338.2889 5726.5434 185.3060 -333603.9793 21289.9002 0.0000 0.0000 42143.6914 -222226.4461 153.3072 -264370.1375 -222103.0934 153.3072 -1896.3478 -2585.9683 921491.4634 -1896.3478 -2585.9683
ENERGY: 208 20293.2703 20371.8902 5718.1572 182.8654 -334789.2378 21322.2411 0.0000 0.0000 44428.6270 -222472.1867 161.6191 -266900.8137 -222122.6316 161.6191 -3669.0641 -2719.7951 921491.4634 -3669.0641 -2719.7951
ENERGY: 209 19428.8170 20325.0057 5710.3389 180.5135 -335910.2414 21349.5045 0.0000 0.0000 46273.6800 -222642.3817 168.3309 -268916.0617 -222106.7902 168.3309 -5197.7273 -2836.6305 921491.4634 -5197.7273 -2836.6305
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1734 20194.2568 5705.3139 178.4614 -336615.7769 21385.1097 0.0000 0.0000 45251.4334 -222516.0283 164.6123 -267767.4617 -222108.2018 164.6123 -6091.3662 -2896.2627 921491.4634 -6091.3662 -2896.2627
ENERGY: 211 24099.1928 19985.8631 5704.9373 176.9105 -336667.8929 21415.1478 0.0000 0.0000 43031.7284 -222254.1130 156.5376 -265285.8414 -222106.8543 156.5376 -5900.2977 -2885.1010 921491.4634 -5900.2977 -2885.1010
ENERGY: 212 23739.2710 19730.8222 5710.0295 176.0352 -336013.6226 21412.5984 0.0000 0.0000 42995.1637 -222249.7026 156.4046 -265244.8662 -222104.2318 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2162 19524.5248 5720.1722 175.9508 -334874.6444 21380.5553 0.0000 0.0000 45418.7804 -222504.4446 165.2210 -267923.2251 -222097.3834 165.2210 -2174.3118 -2725.0840 921491.4634 -2174.3118 -2725.0840
ENERGY: 214 17315.5530 19421.7448 5733.3059 176.6827 -333645.3937 21358.4487 0.0000 0.0000 46958.4701 -222681.1884 170.8220 -269639.6586 -222093.7406 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5056 19441.9744 5746.5772 178.1492 -332787.3323 21379.5598 0.0000 0.0000 45302.6745 -222527.8916 164.7987 -267830.5661 -222091.0446 164.7987 784.0015 -2554.0367 921491.4634 784.0015 -2554.0367
ENERGY: 216 20973.4717 19522.5062 5756.9571 180.1770 -332560.1064 21436.4837 0.0000 0.0000 42442.1786 -222248.3320 154.3930 -264690.5106 -222073.6158 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3867 19581.4821 5762.2416 182.5517 -333010.6760 21497.2707 0.0000 0.0000 41983.6749 -222225.0684 152.7251 -264208.7433 -222064.4466 152.7251 -882.1698 -2598.7243 921491.4634 -882.1698 -2598.7243
ENERGY: 218 20165.9156 19540.0892 5761.2415 184.9927 -333856.1150 21546.6562 0.0000 0.0000 44178.6835 -222478.5362 160.7099 -266657.2197 -222068.8157 160.7099 -2628.0651 -2703.9746 921491.4634 -2628.0651 -2703.9746
ENERGY: 219 19429.8639 19413.3933 5754.3577 187.2447 -334778.0711 21596.8810 0.0000 0.0000 45751.9296 -222644.4009 166.4329 -268396.3305 -222073.1722 166.4329 -4457.7331 -2810.5237 921491.4634 -4457.7331 -2810.5237
TIMING: 220 CPU: 105.072, 0.471345/step Wall: 105.072, 0.471345/step, 0.0366602 hours remaining, 3223.968750 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 19260.1137 5743.1672 189.1021 -335473.8434 21655.3186 0.0000 0.0000 44539.5738 -222505.6537 162.0227 -267045.2275 -222092.6291 162.0227 -5898.3511 -2876.6576 921491.4634 -5898.3511 -2876.6576
ENERGY: 221 24234.7391 19146.8279 5730.1601 190.4777 -335718.7278 21699.4246 0.0000 0.0000 42467.0188 -222250.0795 154.4833 -264717.0983 -222077.7837 154.4833 -6342.7097 -2884.3552 921491.4634 -6342.7097 -2884.3552
ENERGY: 222 23735.1225 19085.7308 5717.7679 191.2894 -335388.9917 21700.3078 0.0000 0.0000 42702.0389 -222256.7345 155.3383 -264958.7734 -222075.6640 155.3383 -5368.7279 -2838.7016 921491.4634 -5368.7279 -2838.7016
ENERGY: 223 20286.4337 19110.8426 5708.3528 191.5579 -334633.3917 21665.5244 0.0000 0.0000 45168.7532 -222501.9271 164.3115 -267670.6803 -222072.2459 164.3115 -3322.8077 -2753.9475 921491.4634 -3322.8077 -2753.9475
ENERGY: 224 17721.9819 19276.3016 5703.4616 191.3517 -333831.1562 21637.4895 0.0000 0.0000 46650.8781 -222649.6919 169.7031 -269300.5700 -222098.2849 169.7031 -1151.0970 -2650.6854 921491.4634 -1151.0970 -2650.6854
ENERGY: 225 18451.5609 19639.7347 5703.5482 190.8347 -333424.4651 21647.4590 0.0000 0.0000 45301.5805 -222489.7471 164.7947 -267791.3276 -222079.9382 164.7947 226.2573 -2563.9720 921491.4634 226.2573 -2563.9720
ENERGY: 226 20569.7733 20147.6373 5707.2430 190.0457 -333606.5698 21686.9382 0.0000 0.0000 43034.1677 -222270.7646 156.5465 -265304.9323 -222078.6806 156.5465 530.9033 -2526.3323 921491.4634 530.9033 -2526.3323
ENERGY: 227 21011.1676 20670.4531 5712.3895 189.0770 -334317.7223 21728.2285 0.0000 0.0000 42721.7944 -222284.6122 155.4101 -265006.4066 -222080.2100 155.4101 -104.6489 -2553.6074 921491.4634 -104.6489 -2553.6074
ENERGY: 228 19866.2928 21035.8343 5716.6482 188.0081 -335312.4266 21761.2925 0.0000 0.0000 44242.5384 -222501.8124 160.9422 -266744.3508 -222102.7893 160.9422 -1440.0181 -2625.9672 921491.4634 -1440.0181 -2625.9672
ENERGY: 229 19874.0813 21137.5586 5718.5477 187.0043 -336264.4467 21796.8121 0.0000 0.0000 44976.5835 -222573.8591 163.6124 -267550.4426 -222086.0490 163.6124 -3234.4606 -2710.7214 921491.4634 -3234.4606 -2710.7214
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 230 21999.2455 20926.2537 5717.1889 185.9786 -336838.6564 21834.6452 0.0000 0.0000 43751.0551 -222424.2894 159.1543 -266175.3445 -222088.6910 159.1543 -4902.3779 -2766.0557 921491.4634 -4902.3779 -2766.0557
ENERGY: 231 23806.6618 20470.3272 5713.0793 184.9073 -336794.0752 21849.7235 0.0000 0.0000 42506.4014 -222262.9748 154.6266 -264769.3761 -222089.4823 154.6266 -5730.6841 -2773.7615 921491.4634 -5730.6841 -2773.7615
ENERGY: 232 22812.6531 19886.6601 5707.7133 183.7520 -336072.1018 21820.0137 0.0000 0.0000 43315.5692 -222345.7404 157.5701 -265661.3096 -222098.2757 157.5701 -5301.5937 -2731.4986 921491.4634 -5301.5937 -2731.4986
ENERGY: 233 20035.6405 19318.2043 5703.4910 182.6157 -334889.2834 21760.7377 0.0000 0.0000 45350.0987 -222538.4955 164.9712 -267888.5942 -222089.6824 164.9712 -3899.2117 -2646.7386 921491.4634 -3899.2117 -2646.7386
ENERGY: 234 18553.6066 18856.0076 5702.3325 181.3395 -333642.4876 21712.9299 0.0000 0.0000 46049.0872 -222587.1841 167.5139 -268636.2714 -222086.3332 167.5139 -2187.7193 -2534.9737 921491.4634 -2187.7193 -2534.9737
ENERGY: 235 19419.0965 18603.4162 5705.8180 179.9133 -332789.1753 21702.6097 0.0000 0.0000 44750.4958 -222427.8259 162.7900 -267178.3217 -222083.1206 162.7900 -820.1737 -2429.4349 921491.4634 -820.1737 -2429.4349
ENERGY: 236 20566.0777 18629.1002 5714.2865 178.3391 -332585.8847 21721.5013 0.0000 0.0000 43477.4013 -222299.1786 158.1588 -265776.5799 -222073.0118 158.1588 -108.6481 -2371.7043 921491.4634 -108.6481 -2371.7043
ENERGY: 237 20196.0057 18940.2032 5726.8243 176.7459 -333068.3185 21749.0157 0.0000 0.0000 43898.3779 -222381.1458 159.6902 -266279.5237 -222063.3603 159.6902 -172.1586 -2373.2011 921491.4634 -172.1586 -2373.2011
ENERGY: 238 19419.4412 19404.0885 5740.6977 175.0128 -333964.3150 21778.9044 0.0000 0.0000 44901.2436 -222544.9268 163.3384 -267446.1704 -222065.9776 163.3384 -987.6011 -2425.5309 921491.4634 -987.6011 -2425.5309
ENERGY: 239 20428.8616 19846.5440 5752.8836 173.1946 -334966.8376 21816.7510 0.0000 0.0000 44416.4633 -222532.1396 161.5749 -266948.6029 -222068.9823 161.5749 -2385.1779 -2499.0795 921491.4634 -2385.1779 -2499.0795
TIMING: 240 CPU: 114.497, 0.471239/step Wall: 114.497, 0.471239/step, 0.0340339 hours remaining, 3223.968750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 240 22861.0420 20119.9135 5760.6910 171.4213 -335766.3629 21854.4254 0.0000 0.0000 42641.4776 -222357.3923 155.1180 -264998.8698 -222074.0956 155.1180 -3844.9085 -2568.3896 921491.4634 -3844.9085 -2568.3896
ENERGY: 241 23920.0053 20195.4873 5762.7124 169.9828 -336129.3256 21865.1033 0.0000 0.0000 41957.8935 -222258.1410 152.6313 -264216.0345 -222063.9162 152.6313 -4724.4492 -2616.3454 921491.4634 -4724.4492 -2616.3454
ENERGY: 242 22110.7717 20111.8208 5758.5348 169.0441 -335904.8200 21831.0568 0.0000 0.0000 43526.8719 -222396.7198 158.3388 -265923.5918 -222063.5739 158.3388 -4623.1690 -2633.0914 921491.4634 -4623.1690 -2633.0914
ENERGY: 243 19462.3622 19969.6445 5749.3614 168.8705 -335233.7072 21770.4749 0.0000 0.0000 45537.0689 -222575.9248 165.6513 -268112.9938 -222061.6677 165.6513 -3760.4506 -2614.6993 921491.4634 -3760.4506 -2614.6993
ENERGY: 244 18822.2465 19849.3934 5737.4544 169.6534 -334482.6012 21720.5677 0.0000 0.0000 45629.1662 -222554.1195 165.9864 -268183.2857 -222078.7771 165.9864 -2667.7299 -2573.2149 921491.4634 -2667.7299 -2573.2149
ENERGY: 245 20148.2369 19811.7599 5725.7785 171.4559 -334087.5948 21701.2471 0.0000 0.0000 44168.5247 -222360.5918 160.6730 -266529.1165 -222068.6366 160.6730 -1771.6901 -2533.5454 921491.4634 -1771.6901 -2533.5454
ENERGY: 246 20878.5482 19853.7024 5716.8932 174.1558 -334213.1207 21705.0851 0.0000 0.0000 43600.4181 -222284.3179 158.6063 -265884.7359 -222067.4296 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5287 19979.6440 5712.7400 177.5412 -334802.1842 21719.8455 0.0000 0.0000 44912.1910 -222431.6938 163.3782 -267343.8848 -222068.1395 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4924 20164.4296 5713.8450 181.3144 -335623.1354 21746.4311 0.0000 0.0000 46185.9361 -222595.6867 168.0117 -268781.6228 -222090.3129 168.0117 -1359.1245 -2608.3065 921491.4634 -1359.1245 -2608.3065
ENERGY: 249 20484.3304 20353.6193 5719.1623 185.0800 -336433.0067 21788.9034 0.0000 0.0000 45370.8151 -222531.0961 165.0466 -267901.9112 -222082.9713 165.0466 -2308.0285 -2671.2385 921491.4634 -2308.0285 -2671.2385
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 250 23155.2056 20422.5256 5726.1009 188.5682 -336907.4410 21832.9290 0.0000 0.0000 43252.1658 -222329.9459 157.3395 -265582.1118 -222084.2880 157.3395 -3365.2094 -2722.3879 921491.4634 -3365.2094 -2722.3879
ENERGY: 251 24002.1398 20302.5996 5731.6573 191.5295 -336816.8449 21849.8674 0.0000 0.0000 42475.2391 -222263.8123 154.5132 -264739.0514 -222084.8992 154.5132 -3958.0338 -2753.0723 921491.4634 -3958.0338 -2753.0723
ENERGY: 252 21994.9043 20013.1599 5733.2541 193.8023 -336093.2679 21826.9296 0.0000 0.0000 43905.3719 -222425.8458 159.7157 -266331.2177 -222091.3307 159.7157 -3843.4682 -2758.0338 921491.4634 -3843.4682 -2758.0338
ENERGY: 253 19499.8639 19667.1122 5729.5496 195.2411 -334977.1810 21784.0537 0.0000 0.0000 45520.0191 -222581.3414 165.5893 -268101.3605 -222082.7207 165.5893 -3300.1273 -2735.8131 921491.4634 -3300.1273 -2735.8131
ENERGY: 254 19073.0883 19348.2296 5720.5008 195.9622 -333839.8801 21752.6525 0.0000 0.0000 45220.9194 -222528.5274 164.5013 -267749.4468 -222080.4688 164.5013 -2707.1337 -2696.1701 921491.4634 -2707.1337 -2696.1701
ENERGY: 255 20324.2312 19109.4102 5707.6062 196.0620 -333099.9236 21746.1516 0.0000 0.0000 43667.4211 -222349.0412 158.8501 -266016.4623 -222078.3978 158.8501 -2282.5425 -2662.7814 921491.4634 -2282.5425 -2662.7814
ENERGY: 256 20899.4410 18950.9579 5693.4518 195.6570 -332975.5976 21757.6849 0.0000 0.0000 43181.1611 -222297.2440 157.0812 -265478.4051 -222071.2742 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5654 18878.1874 5681.1759 194.7976 -333481.0042 21780.2420 0.0000 0.0000 44488.5467 -222428.4893 161.8371 -266917.0360 -222060.1686 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5867 18882.0666 5673.2911 193.6684 -334373.1548 21817.5078 0.0000 0.0000 45796.2577 -222556.7764 166.5942 -268353.0342 -222062.0610 166.5942 -2331.2327 -2737.1920 921491.4634 -2331.2327 -2737.1920
ENERGY: 259 20717.7707 18984.1029 5671.3007 192.3773 -335369.5280 21871.0067 0.0000 0.0000 45431.1555 -222501.8141 165.2661 -267932.9696 -222063.7309 165.2661 -2890.3670 -2780.4961 921491.4634 -2890.3670 -2780.4961
TIMING: 260 CPU: 123.91, 0.470638/step Wall: 123.91, 0.470638/step, 0.0313759 hours remaining, 3224.273438 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 22744.9541 19188.2462 5675.1875 191.0393 -336169.7731 21924.7894 0.0000 0.0000 44083.4306 -222362.1259 160.3634 -266445.5565 -222069.6815 160.3634 -3407.4792 -2810.9878 921491.4634 -3407.4792 -2810.9878
ENERGY: 261 23215.5573 19485.4654 5683.6413 189.7700 -336523.9804 21953.3903 0.0000 0.0000 43676.0234 -222320.1326 158.8814 -265996.1560 -222052.8239 158.8814 -3555.3694 -2822.8648 921491.4634 -3555.3694 -2822.8648
ENERGY: 262 21606.2726 19814.6776 5694.0656 188.7122 -336291.7864 21947.6075 0.0000 0.0000 44601.6346 -222438.8163 162.2485 -267040.4509 -222052.4326 162.2485 -3214.7561 -2810.4637 921491.4634 -3214.7561 -2810.4637
ENERGY: 263 19781.1230 20140.5621 5703.8103 187.9445 -335614.9718 21924.4741 0.0000 0.0000 45349.7771 -222527.2807 164.9700 -267877.0578 -222051.1550 164.9700 -2647.8116 -2773.3903 921491.4634 -2647.8116 -2773.3903
ENERGY: 264 19385.2261 20436.4305 5710.6950 187.5052 -334855.9515 21907.7773 0.0000 0.0000 44751.4784 -222476.8390 162.7936 -267228.3174 -222069.1984 162.7936 -2191.1927 -2723.5294 921491.4634 -2191.1927 -2723.5294
ENERGY: 265 19946.8416 20681.9925 5713.6241 187.4392 -334395.6636 21906.0165 0.0000 0.0000 43607.6374 -222352.1122 158.6326 -265959.7496 -222054.3373 158.6326 -2038.0573 -2683.6034 921491.4634 -2038.0573 -2683.6034
ENERGY: 266 20048.7899 20788.8700 5712.1327 187.6137 -334399.4580 21914.4806 0.0000 0.0000 43399.3796 -222348.1913 157.8750 -265747.5710 -222054.3636 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0906 20691.2678 5707.0583 187.8501 -334831.4857 21930.8375 0.0000 0.0000 44220.2168 -222446.1647 160.8610 -266666.3814 -222055.6586 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9160 20375.7515 5700.1930 187.9286 -335513.7452 21959.1259 0.0000 0.0000 44823.5376 -222504.2926 163.0557 -267327.8302 -222075.9877 163.0557 -2903.2124 -2658.6181 921491.4634 -2903.2124 -2658.6181
ENERGY: 269 21396.7812 19927.1702 5694.0390 187.7639 -336221.0664 21997.2162 0.0000 0.0000 44586.5099 -222431.5860 162.1935 -267018.0959 -222066.1975 162.1935 -3401.4128 -2647.2949 921491.4634 -3401.4128 -2647.2949
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1932 19450.9167 5690.3173 187.1618 -336650.6778 22028.8072 0.0000 0.0000 44308.0075 -222365.2740 161.1804 -266673.2815 -222067.0436 161.1804 -3583.3633 -2617.7583 921491.4634 -3583.3633 -2617.7583
ENERGY: 271 22345.5824 19078.8065 5690.0209 186.1610 -336571.7896 22035.2502 0.0000 0.0000 44829.4472 -222406.5214 163.0772 -267235.9686 -222066.8388 163.0772 -3261.2174 -2569.2622 921491.4634 -3261.2174 -2569.2622
ENERGY: 272 21021.5586 18896.0662 5692.8269 184.9335 -335921.4618 22015.0581 0.0000 0.0000 45607.7075 -222503.3110 165.9083 -268111.0186 -222081.1572 165.9083 -2551.9684 -2501.8804 921491.4634 -2551.9684 -2501.8804
ENERGY: 273 20123.2138 18932.9081 5697.5118 183.8526 -334925.7016 21985.5298 0.0000 0.0000 45502.7160 -222499.9696 165.5264 -268002.6856 -222069.0459 165.5264 -1837.1976 -2434.6760 921491.4634 -1837.1976 -2434.6760
ENERGY: 274 20074.7417 19121.4862 5701.6806 183.0070 -333931.6260 21965.2978 0.0000 0.0000 44478.5175 -222406.8952 161.8006 -266885.4127 -222066.8029 161.8006 -1366.5213 -2384.6634 921491.4634 -1366.5213 -2384.6634
ENERGY: 275 20005.4317 19374.0681 5703.3424 182.5376 -333318.5606 21960.8301 0.0000 0.0000 43741.9682 -222350.3825 159.1213 -266092.3507 -222065.7692 159.1213 -1269.7931 -2374.8869 921491.4634 -1269.7931 -2374.8869
ENERGY: 276 19401.8502 19594.7508 5701.2547 182.4904 -333292.1282 21971.0411 0.0000 0.0000 44028.5271 -222412.2140 160.1637 -266440.7411 -222072.9395 160.1637 -1580.1299 -2417.6040 921491.4634 -1580.1299 -2417.6040
ENERGY: 277 19149.2972 19724.7159 5695.5210 182.9396 -333864.3454 21997.2389 0.0000 0.0000 44632.8110 -222481.8218 162.3619 -267114.6328 -222061.0988 162.3619 -2311.7543 -2498.0544 921491.4634 -2311.7543 -2498.0544
ENERGY: 278 20199.4577 19713.7759 5686.9122 183.6585 -334821.1003 22041.3361 0.0000 0.0000 44532.2539 -222463.7061 161.9961 -266995.9600 -222063.4131 161.9961 -3254.8155 -2593.7696 921491.4634 -3254.8155 -2593.7696
ENERGY: 279 21984.3649 19593.9430 5677.5176 184.5187 -335888.5801 22096.4201 0.0000 0.0000 43975.0880 -222376.7279 159.9693 -266351.8159 -222065.2024 159.9693 -4044.3212 -2682.8389 921491.4634 -4044.3212 -2682.8389
TIMING: 280 CPU: 133.534, 0.481228/step Wall: 133.534, 0.481228/step, 0.0294084 hours remaining, 3224.273438 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 22859.3230 19458.4365 5670.0026 185.3899 -336752.6634 22145.1356 0.0000 0.0000 44066.7338 -222367.6419 160.3027 -266434.3757 -222073.4247 160.3027 -4286.3893 -2748.0546 921491.4634 -4286.3893 -2748.0546
ENERGY: 281 22172.5960 19445.1182 5667.0588 186.2206 -337154.6804 22172.1194 0.0000 0.0000 45063.2422 -222448.3253 163.9277 -267511.5675 -222064.8519 163.9277 -3881.2951 -2782.5901 921491.4634 -3881.2951 -2782.5901
ENERGY: 282 20943.7900 19615.5378 5669.9796 186.8360 -336942.5036 22176.7656 0.0000 0.0000 45823.3368 -222526.2578 166.6927 -268349.5946 -222063.3316 166.6927 -2992.3271 -2779.3667 921491.4634 -2992.3271 -2779.3667
ENERGY: 283 20432.1063 19966.6614 5678.8137 187.1634 -336251.9203 22171.0650 0.0000 0.0000 45328.8518 -222487.2587 164.8939 -267816.1105 -222060.8460 164.8939 -2008.7736 -2748.2305 921491.4634 -2008.7736 -2748.2305
ENERGY: 284 20506.4000 20401.8822 5692.0830 187.1346 -335412.6303 22166.2912 0.0000 0.0000 44071.4478 -222387.3916 160.3198 -266458.8395 -222061.5542 160.3198 -1267.2791 -2712.3902 921491.4634 -1267.2791 -2712.3902
ENERGY: 285 20203.3287 20789.9629 5707.3564 186.7145 -334827.1968 22167.0168 0.0000 0.0000 43418.2629 -222354.5547 157.9437 -265772.8176 -222053.5969 157.9437 -1010.8437 -2700.0820 921491.4634 -1010.8437 -2700.0820
ENERGY: 286 19396.6309 20966.5622 5721.5031 185.8229 -334658.1150 22176.6865 0.0000 0.0000 43785.6879 -222425.2214 159.2803 -266210.9093 -222054.0584 159.2803 -1306.7501 -2717.2847 921491.4634 -1306.7501 -2717.2847
ENERGY: 287 19176.1190 20856.7823 5731.9346 184.4714 -334918.1481 22200.2912 0.0000 0.0000 44282.9435 -222485.6061 161.0892 -266768.5496 -222055.7255 161.0892 -2148.9611 -2753.3344 921491.4634 -2148.9611 -2753.3344
ENERGY: 288 20263.2088 20475.2851 5736.9557 182.7335 -335468.3146 22237.9039 0.0000 0.0000 44116.9902 -222455.2374 160.4855 -266572.2276 -222066.9052 160.4855 -3310.5877 -2790.1552 921491.4634 -3310.5877 -2790.1552
ENERGY: 289 21886.4834 19928.6978 5736.1905 180.7560 -336126.9120 22279.0692 0.0000 0.0000 43733.4511 -222382.2640 159.0903 -266115.7151 -222062.2723 159.0903 -4368.9813 -2809.8748 921491.4634 -4368.9813 -2809.8748
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 290 22615.9844 19325.5266 5730.3279 178.6973 -336571.4573 22308.2177 0.0000 0.0000 44027.4233 -222385.2801 160.1597 -266412.7034 -222063.4682 160.1597 -4815.3286 -2796.0389 921491.4634 -4815.3286 -2796.0389
ENERGY: 291 22115.7704 18802.2909 5721.4122 176.7646 -336554.3556 22315.5632 0.0000 0.0000 44963.0863 -222459.4681 163.5634 -267422.5544 -222063.1773 163.5634 -4450.6673 -2738.1107 921491.4634 -4450.6673 -2738.1107
ENERGY: 292 21262.5912 18472.4016 5712.2431 175.1751 -335987.2701 22302.8786 0.0000 0.0000 45560.3450 -222501.6355 165.7360 -268061.9806 -222072.5162 165.7360 -3435.4156 -2639.3511 921491.4634 -3435.4156 -2639.3511
ENERGY: 293 20783.4662 18411.7343 5705.7252 174.1484 -335092.9707 22279.1184 0.0000 0.0000 45283.4157 -222455.3626 164.7286 -267738.7783 -222061.5455 164.7286 -2166.7336 -2517.2543 921491.4634 -2166.7336 -2517.2543
ENERGY: 294 20398.6129 18589.6437 5703.5791 173.8101 -334179.1788 22254.0801 0.0000 0.0000 44662.2335 -222397.2193 162.4689 -267059.4528 -222058.8851 162.4689 -1006.6042 -2405.5592 921491.4634 -1006.6042 -2405.5592
ENERGY: 295 19706.6742 18924.3584 5706.2255 174.2141 -333602.5016 22236.6571 0.0000 0.0000 44449.5909 -222404.7815 161.6954 -266854.3724 -222057.5862 161.6954 -311.5566 -2335.1538 921491.4634 -311.5566 -2335.1538
ENERGY: 296 19122.8991 19301.4533 5712.5929 175.3096 -333576.4725 22236.1191 0.0000 0.0000 44573.6025 -222454.4959 162.1465 -267028.0985 -222067.3939 162.1465 -347.2082 -2322.9739 921491.4634 -347.2082 -2322.9739
ENERGY: 297 19439.7490 19641.8018 5720.7182 176.9777 -334148.9753 22258.2527 0.0000 0.0000 44466.2674 -222445.2086 161.7561 -266911.4761 -222050.8187 161.7561 -1189.5386 -2359.0875 921491.4634 -1189.5386 -2359.0875
ENERGY: 298 20578.5046 19886.6665 5727.8935 178.9488 -335137.5239 22299.1413 0.0000 0.0000 44067.5341 -222398.8351 160.3056 -266466.3693 -222053.6276 160.3056 -2519.0812 -2427.9308 921491.4634 -2519.0812 -2427.9308
ENERGY: 299 21598.9655 20050.9661 5731.9440 180.9390 -336266.8205 22346.0660 0.0000 0.0000 43977.6320 -222380.3078 159.9785 -266357.9399 -222056.3728 159.9785 -3820.1263 -2506.2687 921491.4634 -3820.1263 -2506.2687
LDB: ============= START OF LOAD BALANCING ============== 149.122
LDB: Largest compute 200 load 0.529819 is 1.2% of average load 45.821341
LDB: Average compute 0.064191 is 0.1% of average load 45.821341
LDB: TIME 149.123 LOAD: AVG 45.8213 MAX 47.3043 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.27 MB
LDB: TIME 149.124 LOAD: AVG 45.8213 MAX 47.3043 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.27 MB
LDB: TIME 149.14 LOAD: AVG 45.8213 MAX 46.3427 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.27 MB
LDB: ============== END OF LOAD BALANCING =============== 149.141
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 149.143
Info: Initial time: 4 CPUs 0.47275 s/step 5.47164 days/ns 3224.27 MB memory
TIMING: 300 CPU: 142.942, 0.470363/step Wall: 142.942, 0.470363/step, 0.0261313 hours remaining, 3224.273438 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 21869.9883 20174.1890 5731.6694 182.6816 -337209.9033 22385.4782 0.0000 0.0000 44423.7995 -222442.0974 161.6016 -266865.8969 -222076.5870 161.6016 -4600.9409 -2563.6018 921491.4634 -4600.9409 -2563.6018
ENERGY: 301 21754.7700 20299.7853 5727.3852 184.0330 -337665.1004 22409.6629 0.0000 0.0000 44817.7464 -222471.7176 163.0346 -267289.4640 -222059.2470 163.0346 -4657.8464 -2584.2293 921491.4634 -4657.8464 -2584.2293
ENERGY: 302 21723.0649 20395.7909 5720.2599 184.8676 -337483.0156 22416.9294 0.0000 0.0000 44599.2668 -222442.8362 162.2399 -267042.1029 -222057.3401 162.2399 -3958.8649 -2554.2736 921491.4634 -3958.8649 -2554.2736
ENERGY: 303 21512.5329 20430.0802 5712.5286 185.2198 -336784.9554 22409.2051 0.0000 0.0000 44154.6908 -222380.6980 160.6226 -266535.3888 -222054.2090 160.6226 -2717.2719 -2487.9821 921491.4634 -2717.2719 -2487.9821
ENERGY: 304 20579.5056 20379.6045 5706.6112 185.2163 -335895.7347 22392.3089 0.0000 0.0000 44259.5530 -222392.9352 161.0041 -266652.4882 -222063.7239 161.0041 -1310.8210 -2411.5371 921491.4634 -1310.8210 -2411.5371
ENERGY: 305 19294.2488 20267.1926 5704.5649 185.0761 -335184.3678 22377.9877 0.0000 0.0000 44903.5549 -222451.7428 163.3468 -267355.2977 -222049.0631 163.3468 -285.4664 -2359.8439 921491.4634 -285.4664 -2359.8439
ENERGY: 306 18813.6234 20091.4461 5706.8791 184.8700 -334861.4715 22380.1172 0.0000 0.0000 45195.6068 -222488.9290 164.4092 -267684.5357 -222048.9455 164.4092 -34.4473 -2342.9900 921491.4634 -34.4473 -2342.9900
ENERGY: 307 19699.8290 19880.2870 5712.8835 184.6555 -334994.2781 22404.6081 0.0000 0.0000 44676.1361 -222435.8790 162.5195 -267112.0151 -222050.4565 162.5195 -686.7123 -2362.0196 921491.4634 -686.7123 -2362.0196
ENERGY: 308 21066.5788 19666.1167 5720.7563 184.4262 -335495.7178 22443.3092 0.0000 0.0000 44039.4393 -222375.0912 160.2034 -266414.5305 -222060.2282 160.2034 -1960.6040 -2406.6006 921491.4634 -1960.6040 -2406.6006
ENERGY: 309 21696.0234 19507.1878 5728.2464 184.2113 -336171.4698 22480.8022 0.0000 0.0000 44190.3408 -222384.6579 160.7523 -266574.9987 -222050.0296 160.7523 -3383.0054 -2467.8899 921491.4634 -3383.0054 -2467.8899
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 310 21508.7276 19421.0237 5732.7586 183.9063 -336693.8611 22505.8458 0.0000 0.0000 44871.0066 -222470.5925 163.2284 -267341.5991 -222052.4939 163.2284 -4424.6314 -2515.2222 921491.4634 -4424.6314 -2515.2222
ENERGY: 311 21459.6726 19421.2606 5732.5580 183.4896 -336798.7867 22515.0561 0.0000 0.0000 44986.9606 -222499.7893 163.6502 -267486.7499 -222053.3069 163.6502 -4795.7696 -2523.0992 921491.4634 -4795.7696 -2523.0992
ENERGY: 312 21894.2740 19475.0867 5727.0397 182.9545 -336390.8681 22507.7150 0.0000 0.0000 44171.5547 -222432.2434 160.6840 -266603.7980 -222064.5095 160.6840 -4390.5736 -2479.7746 921491.4634 -4390.5736 -2479.7746
ENERGY: 313 21935.6985 19529.7471 5717.1322 182.3602 -335633.4778 22483.0131 0.0000 0.0000 43439.9887 -222345.5380 158.0227 -265785.5267 -222050.9857 158.0227 -3324.4415 -2406.1159 921491.4634 -3324.4415 -2406.1159
ENERGY: 314 20774.0372 19507.1856 5704.6248 181.6523 -334801.1007 22445.5165 0.0000 0.0000 43813.5135 -222374.5708 159.3815 -266188.0843 -222048.2694 159.3815 -1862.2382 -2326.9766 921491.4634 -1862.2382 -2326.9766
ENERGY: 315 19161.1203 19408.2595 5692.2116 180.8666 -334233.4704 22410.8359 0.0000 0.0000 44907.4427 -222472.7338 163.3609 -267380.1765 -222046.1400 163.3609 -549.3940 -2270.2359 921491.4634 -549.3940 -2270.2359
ENERGY: 316 18669.4292 19303.6207 5682.5270 180.0732 -334172.3645 22398.3990 0.0000 0.0000 45428.4346 -222509.8808 165.2562 -267938.3154 -222062.0712 165.2562 64.5863 -2251.8059 921491.4634 64.5863 -2251.8059
ENERGY: 317 19739.5966 19309.4451 5677.5265 179.4130 -334705.9339 22416.0670 0.0000 0.0000 44959.2152 -222424.6704 163.5493 -267383.8856 -222046.6271 163.5493 -296.1487 -2282.4174 921491.4634 -296.1487 -2282.4174
ENERGY: 318 21109.3875 19471.3042 5677.4840 178.9393 -335675.6978 22454.1810 0.0000 0.0000 44425.4198 -222358.9820 161.6075 -266784.4018 -222048.7807 161.6075 -1378.4199 -2356.1401 921491.4634 -1378.4199 -2356.1401
ENERGY: 319 21567.4384 19787.0342 5681.4413 178.7485 -336801.6070 22496.5475 0.0000 0.0000 44691.1806 -222399.2165 162.5742 -267090.3971 -222051.9252 162.5742 -2725.8797 -2457.2025 921491.4634 -2725.8797 -2457.2025
TIMING: 320 CPU: 152.174, 0.4616/step Wall: 152.174, 0.4616/step, 0.02308 hours remaining, 3224.273438 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 21393.3837 20196.2690 5687.3971 178.9168 -337738.1162 22532.5476 0.0000 0.0000 45250.4874 -222499.1146 164.6088 -267749.6020 -222076.2073 164.6088 -3895.6023 -2553.5002 921491.4634 -3895.6023 -2553.5002
ENERGY: 321 21615.1675 20628.0218 5693.0806 179.5146 -338181.7106 22557.3347 0.0000 0.0000 45018.7803 -222489.8112 163.7659 -267508.5915 -222064.2789 163.7659 -4609.2360 -2621.5363 921491.4634 -4609.2360 -2621.5363
ENERGY: 322 22179.0071 20957.0457 5696.1855 180.4970 -337965.9632 22565.0704 0.0000 0.0000 43989.5237 -222398.6339 160.0218 -266388.1576 -222063.6578 160.0218 -4596.8830 -2640.5013 921491.4634 -4596.8830 -2640.5013
ENERGY: 323 21976.7006 21085.8080 5695.4506 181.8003 -337194.0747 22550.8104 0.0000 0.0000 43361.4902 -222342.0147 157.7372 -265703.5049 -222061.4466 157.7372 -3808.3606 -2616.6944 921491.4634 -3808.3606 -2616.6944
ENERGY: 324 20558.5069 20952.0213 5690.8582 183.3007 -336170.3977 22520.5742 0.0000 0.0000 43857.2499 -222407.8866 159.5406 -266265.1365 -222068.7485 159.5406 -2506.6899 -2573.6930 921491.4634 -2506.6899 -2573.6930
ENERGY: 325 19096.1753 20584.7377 5683.7433 184.8441 -335297.0516 22494.0545 0.0000 0.0000 44763.3954 -222490.1013 162.8369 -267253.4967 -222060.9515 162.8369 -1264.0244 -2529.6546 921491.4634 -1264.0244 -2529.6546
ENERGY: 326 18959.6361 20052.8004 5675.9627 186.2078 -334820.0107 22490.4170 0.0000 0.0000 44971.8223 -222483.1644 163.5951 -267454.9868 -222059.6111 163.5951 -572.2141 -2503.0558 921491.4634 -572.2141 -2503.0558
ENERGY: 327 20020.7820 19506.2794 5669.7116 187.2139 -334851.2534 22513.0146 0.0000 0.0000 44550.7427 -222403.5092 162.0634 -266954.2518 -222059.8763 162.0634 -657.4991 -2506.5014 921491.4634 -657.4991 -2506.5014
ENERGY: 328 20934.1978 19092.0092 5666.7484 187.7399 -335303.4717 22549.7454 0.0000 0.0000 44493.2358 -222379.7953 161.8542 -266873.0311 -222061.7263 161.8542 -1393.2039 -2547.3519 921491.4634 -1393.2039 -2547.3519
ENERGY: 329 21066.6665 18910.0877 5668.0553 187.7546 -335996.4134 22586.9567 0.0000 0.0000 45124.3167 -222452.5760 164.1499 -267576.8927 -222059.3371 164.1499 -2499.2291 -2610.9953 921491.4634 -2499.2291 -2610.9953
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 18933.5043 5673.1988 187.2569 -336566.3126 22617.7580 0.0000 0.0000 45495.0147 -222516.8962 165.4984 -268011.9109 -222062.1155 165.4984 -3602.9591 -2673.3213 921491.4634 -3602.9591 -2673.3213
ENERGY: 331 21864.6858 19091.0592 5680.9136 186.3262 -336735.1760 22637.2716 0.0000 0.0000 44806.2163 -222468.7033 162.9927 -267274.9197 -222063.3976 162.9927 -4373.7650 -2707.8812 921491.4634 -4373.7650 -2707.8812
ENERGY: 332 22513.8609 19292.8541 5689.3391 185.0892 -336383.5026 22636.4045 0.0000 0.0000 43697.6286 -222368.3262 158.9600 -266065.9548 -222061.8462 158.9600 -4514.5071 -2704.7030 921491.4634 -4514.5071 -2704.7030
ENERGY: 333 21854.9977 19482.7897 5696.6505 183.7309 -335681.4586 22608.9731 0.0000 0.0000 43501.2419 -222353.0749 158.2456 -265854.3168 -222052.0753 158.2456 -3943.3087 -2666.2161 921491.4634 -3943.3087 -2666.2161
ENERGY: 334 20023.4851 19603.2613 5701.0454 182.3864 -334880.5304 22564.8643 0.0000 0.0000 44357.3053 -222448.1826 161.3597 -266805.4878 -222049.6961 161.3597 -2855.3038 -2607.1876 921491.4634 -2855.3038 -2607.1876
ENERGY: 335 18726.9585 19647.0447 5701.6423 181.1975 -334325.9456 22528.7346 0.0000 0.0000 45026.6265 -222513.7415 163.7945 -267540.3680 -222047.5433 163.7945 -1753.1268 -2542.6964 921491.4634 -1753.1268 -2542.6964
ENERGY: 336 19127.9135 19639.0992 5698.6022 180.2744 -334271.7856 22519.6999 0.0000 0.0000 44649.6649 -222456.5316 162.4232 -267106.1965 -222055.6202 162.4232 -1093.5004 -2488.8702 921491.4634 -1093.5004 -2488.8702
ENERGY: 337 20420.1633 19649.7061 5693.3319 179.7347 -334824.3557 22536.4223 0.0000 0.0000 43995.5998 -222349.3977 160.0439 -266344.9975 -222040.1026 160.0439 -1064.7182 -2460.5859 921491.4634 -1064.7182 -2460.5859
ENERGY: 338 21007.5745 19722.4641 5687.5590 179.5437 -335808.8620 22564.1945 0.0000 0.0000 44285.9173 -222361.6089 161.1000 -266647.5262 -222041.5959 161.1000 -1500.9498 -2462.8575 921491.4634 -1500.9498 -2462.8575
ENERGY: 339 20742.6010 19892.4864 5683.2969 179.6501 -336924.5160 22593.0218 0.0000 0.0000 45359.3478 -222474.1120 165.0048 -267833.4598 -222043.8631 165.0048 -2199.9375 -2485.1215 921491.4634 -2199.9375 -2485.1215
TIMING: 340 CPU: 161.401, 0.461344/step Wall: 161.401, 0.461344/step, 0.0205042 hours remaining, 3224.273438 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 -337821.3683 22621.7137 0.0000 0.0000 45758.5726 -222540.9728 166.4571 -268299.5454 -222070.3956 166.4571 -2966.9709 -2503.9484 921491.4634 -2966.9709 -2503.9484
ENERGY: 341 22051.8629 20407.8963 5684.3134 180.4786 -338209.1668 22646.3199 0.0000 0.0000 44797.5817 -222440.7141 162.9613 -267238.2957 -222054.5351 162.9613 -3585.3814 -2498.5442 921491.4634 -3585.3814 -2498.5442
ENERGY: 342 22895.9215 20582.1011 5689.2420 181.0293 -337942.4477 22653.2572 0.0000 0.0000 43612.4987 -222328.3979 158.6503 -265940.8966 -222054.3605 158.6503 -3711.7547 -2460.9855 921491.4634 -3711.7547 -2460.9855
ENERGY: 343 21993.5596 20596.8906 5695.1198 181.5548 -337132.3421 22633.1274 0.0000 0.0000 43686.5573 -222345.5326 158.9197 -266032.0899 -222053.2452 158.9197 -3217.8263 -2399.3475 921491.4634 -3217.8263 -2399.3475
ENERGY: 344 19898.5080 20447.2066 5699.9573 182.0106 -336095.2676 22596.5929 0.0000 0.0000 44790.9362 -222480.0559 162.9371 -267270.9922 -222071.3578 162.9371 -2338.1159 -2329.7492 921491.4634 -2338.1159 -2329.7492
ENERGY: 345 18694.7359 20199.0881 5702.3270 182.4513 -335224.1274 22568.7537 0.0000 0.0000 45351.4658 -222525.3055 164.9762 -267876.7713 -222058.0555 164.9762 -1576.2389 -2261.7960 921491.4634 -1576.2389 -2261.7960
ENERGY: 346 19350.9890 19892.9541 5701.0894 182.7368 -334783.0721 22565.1338 0.0000 0.0000 44652.5017 -222437.6673 162.4335 -267090.1690 -222056.8256 162.4335 -1239.3021 -2211.7781 921491.4634 -1239.3021 -2211.7781
ENERGY: 347 20669.8294 19583.9409 5696.3950 182.8447 -334881.4385 22581.1983 0.0000 0.0000 43831.1326 -222336.0975 159.4456 -266167.2302 -222056.9473 159.4456 -1358.8145 -2194.9212 921491.4634 -1358.8145 -2194.9212
ENERGY: 348 21062.2471 19315.9903 5689.3479 182.7918 -335425.6668 22604.2202 0.0000 0.0000 44195.9875 -222375.0821 160.7729 -266571.0695 -222064.0948 160.7729 -1766.2765 -2218.9157 921491.4634 -1766.2765 -2218.9157
ENERGY: 349 20718.9515 19143.3231 5681.9008 182.6959 -336197.3783 22630.4376 0.0000 0.0000 45349.6292 -222490.4401 164.9695 -267840.0694 -222056.3110 164.9695 -2336.6406 -2270.6249 921491.4634 -2336.6406 -2270.6249
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 350 21009.3453 19066.8676 5675.7227 182.5405 -336836.8356 22661.9755 0.0000 0.0000 45710.0733 -222530.3107 166.2807 -268240.3839 -222058.0877 166.2807 -2896.5509 -2326.8867 921491.4634 -2896.5509 -2326.8867
ENERGY: 351 22235.3181 19085.8715 5672.3994 182.3761 -337072.3448 22693.2958 0.0000 0.0000 44770.4133 -222432.6705 162.8625 -267203.0838 -222058.6357 162.8625 -3254.0186 -2369.0507 921491.4634 -3254.0186 -2369.0507
ENERGY: 352 22912.9250 19180.1282 5672.7329 182.2243 -336794.7862 22708.6921 0.0000 0.0000 43795.3990 -222342.6846 159.3156 -266138.0836 -222059.3902 159.3156 -3190.0137 -2394.0290 921491.4634 -3190.0137 -2394.0290
ENERGY: 353 21825.9775 19344.0937 5676.6445 182.1014 -336147.6554 22699.4234 0.0000 0.0000 44043.1854 -222376.2295 160.2170 -266419.4150 -222047.6767 160.2170 -2709.1542 -2407.4664 921491.4634 -2709.1542 -2407.4664
ENERGY: 354 19814.0381 19544.5091 5682.7360 181.9868 -335375.1826 22676.8667 0.0000 0.0000 44983.0755 -222491.9703 163.6361 -267475.0458 -222046.2247 163.6361 -2040.9898 -2415.4742 921491.4634 -2040.9898 -2415.4742
ENERGY: 355 18879.8418 19773.7508 5689.2466 181.9196 -334823.9959 22664.4421 0.0000 0.0000 45120.2675 -222514.5275 164.1351 -267634.7950 -222044.8386 164.1351 -1600.3169 -2424.6827 921491.4634 -1600.3169 -2424.6827
ENERGY: 356 19622.4371 20015.8109 5694.4280 181.9402 -334758.7692 22674.4080 0.0000 0.0000 44153.0882 -222416.6568 160.6168 -266569.7451 -222053.0965 160.6168 -1622.0262 -2446.8265 921491.4634 -1622.0262 -2446.8265
ENERGY: 357 20687.2712 20255.1055 5697.1707 182.0215 -335288.0645 22700.2949 0.0000 0.0000 43438.0174 -222328.1834 158.0156 -265766.2008 -222042.2333 158.0156 -2061.3606 -2486.6662 921491.4634 -2061.3606 -2486.6662
ENERGY: 358 20785.4066 20424.8429 5696.9832 182.1295 -336225.9478 22730.2419 0.0000 0.0000 44019.5818 -222386.7619 160.1311 -266406.3437 -222043.9948 160.1311 -2636.8580 -2541.3592 921491.4634 -2636.8580 -2541.3592
ENERGY: 359 20493.6442 20484.4984 5694.4424 182.1894 -337270.5928 22762.0668 0.0000 0.0000 45152.8973 -222500.8543 164.2538 -267653.7516 -222046.1005 164.2538 -3161.2177 -2593.4281 921491.4634 -3161.2177 -2593.4281
TIMING: 360 CPU: 170.62, 0.460963/step Wall: 170.62, 0.460963/step, 0.0179263 hours remaining, 3224.273438 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 20418.0333 5690.9151 182.1442 -338077.5508 22797.1677 0.0000 0.0000 45362.4563 -222514.2527 165.0161 -267876.7090 -222065.3880 165.0161 -3505.9503 -2622.8571 921491.4634 -3505.9503 -2622.8571
ENERGY: 361 22462.8275 20259.6925 5688.3191 181.9496 -338397.1525 22827.2221 0.0000 0.0000 44580.8516 -222396.2901 162.1729 -266977.1417 -222052.4544 162.1729 -3542.5442 -2618.5018 921491.4634 -3542.5442 -2618.5018
ENERGY: 362 22808.6002 20031.2788 5688.3203 181.6678 -338079.7612 22835.7526 0.0000 0.0000 44200.9549 -222333.1865 160.7909 -266534.1414 -222051.2760 160.7909 -3087.0695 -2583.1905 921491.4634 -3087.0695 -2583.1905
ENERGY: 363 21303.6021 19794.1186 5692.1162 181.3427 -337235.0089 22818.0652 0.0000 0.0000 45033.6624 -222412.1018 163.8201 -267445.7642 -222049.5304 163.8201 -2242.6818 -2529.7064 921491.4634 -2242.6818 -2529.7064
ENERGY: 364 19323.8976 19612.6011 5699.8913 181.0103 -336175.1997 22790.5193 0.0000 0.0000 46034.3486 -222532.9314 167.4603 -268567.2800 -222068.5919 167.4603 -1420.0424 -2476.3756 921491.4634 -1420.0424 -2476.3756
ENERGY: 365 18830.5840 19548.3418 5710.7558 180.6857 -335316.0967 22775.7831 0.0000 0.0000 45760.0886 -222509.8578 166.4626 -268269.9464 -222057.4404 166.4626 -1100.2606 -2433.4822 921491.4634 -1100.2606 -2433.4822
ENERGY: 366 19854.2637 19578.5647 5722.5902 180.3919 -334923.1927 22780.3502 0.0000 0.0000 44422.2469 -222384.7850 161.5959 -266807.0320 -222057.2778 161.5959 -1392.6925 -2417.6862 921491.4634 -1392.6925 -2417.6862
ENERGY: 367 20741.0596 19662.8834 5732.9484 180.1165 -335098.3157 22794.3494 0.0000 0.0000 43662.6182 -222324.3402 158.8326 -265986.9584 -222058.3715 158.8326 -2104.1273 -2437.9268 921491.4634 -2104.1273 -2437.9268
ENERGY: 368 20561.5938 19748.2121 5739.6691 179.8275 -335728.0876 22808.6652 0.0000 0.0000 44272.8403 -222417.2796 161.0524 -266690.1200 -222068.2915 161.0524 -2928.4886 -2487.3070 921491.4634 -2928.4886 -2487.3070
ENERGY: 369 20346.9680 19812.6207 5741.6369 179.5048 -336580.3311 22825.3358 0.0000 0.0000 45155.6305 -222518.6344 164.2638 -267674.2648 -222061.1004 164.2638 -3666.9891 -2542.4574 921491.4634 -3666.9891 -2542.4574
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 370 21302.3707 19815.7284 5738.6028 179.1429 -337296.0558 22846.3049 0.0000 0.0000 44920.4941 -222493.4120 163.4084 -267413.9061 -222062.2629 163.4084 -4081.4436 -2576.8190 921491.4634 -4081.4436 -2576.8190
ENERGY: 371 22799.2772 19758.4809 5731.5881 178.8004 -337606.4374 22861.3509 0.0000 0.0000 43904.8961 -222372.0437 159.7139 -266276.9398 -222061.9342 159.7139 -3956.1480 -2578.2817 921491.4634 -3956.1480 -2578.2817
ENERGY: 372 22964.3598 19665.2850 5722.4283 178.5955 -337391.7876 22854.0835 0.0000 0.0000 43672.6555 -222334.3799 158.8691 -266007.0354 -222060.3202 158.8691 -3189.3382 -2552.6173 921491.4634 -3189.3382 -2552.6173
ENERGY: 373 21253.1598 19603.3416 5713.4759 178.7080 -336784.3118 22822.4879 0.0000 0.0000 44782.9950 -222430.1435 162.9082 -267213.1386 -222050.3121 162.9082 -2037.0650 -2511.6657 921491.4634 -2037.0650 -2511.6657
ENERGY: 374 19285.9366 19613.0719 5706.5680 179.1985 -336019.1238 22785.5046 0.0000 0.0000 45912.3279 -222536.5162 167.0164 -268448.8442 -222048.2697 167.0164 -983.4306 -2469.0311 921491.4634 -983.4306 -2469.0311
ENERGY: 375 18893.7028 19735.2393 5703.0316 180.0533 -335443.7689 22766.6831 0.0000 0.0000 45660.9720 -222504.0868 166.1021 -268165.0588 -222047.0951 166.1021 -539.4861 -2439.8662 921491.4634 -539.4861 -2439.8662
ENERGY: 376 19884.0272 19962.1763 5703.2010 181.1433 -335321.8631 22772.8698 0.0000 0.0000 44434.3276 -222384.1178 161.6399 -266818.4454 -222050.5532 161.6399 -874.6221 -2439.6903 921491.4634 -874.6221 -2439.6903
ENERGY: 377 20646.4608 20251.1593 5706.5521 182.3248 -335763.5800 22794.3771 0.0000 0.0000 43848.2754 -222334.4305 159.5080 -266182.7059 -222041.4016 159.5080 -1819.5857 -2472.4986 921491.4634 -1819.5857 -2472.4986
ENERGY: 378 20473.8100 20495.6594 5711.4639 183.2952 -336584.2278 22821.5834 0.0000 0.0000 44474.7535 -222423.6624 161.7869 -266898.4159 -222044.3970 161.7869 -2972.9873 -2523.3499 921491.4634 -2972.9873 -2523.3499
ENERGY: 379 20419.4578 20623.8791 5716.2160 183.8420 -337495.6095 22854.5150 0.0000 0.0000 45185.6413 -222512.0585 164.3729 -267697.6998 -222047.0132 164.3729 -3997.4171 -2563.3073 921491.4634 -3997.4171 -2563.3073
TIMING: 380 CPU: 179.835, 0.460756/step Wall: 179.835, 0.460756/step, 0.0153585 hours remaining, 3224.273438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 380 21458.1132 20605.4119 5719.3306 183.8284 -338176.3452 22892.6526 0.0000 0.0000 44833.7902 -222483.2183 163.0930 -267317.0085 -222063.6482 163.0930 -4580.2702 -2564.2102 921491.4634 -4580.2702 -2564.2102
ENERGY: 381 22824.3128 20467.0309 5720.1164 183.2929 -338395.2412 22923.6566 0.0000 0.0000 43906.3007 -222370.5310 159.7191 -266276.8317 -222053.0349 159.7191 -4470.7196 -2514.6122 921491.4634 -4470.7196 -2514.6122
ENERGY: 382 22844.1905 20220.4984 5718.3197 182.2157 -338010.6534 22930.5469 0.0000 0.0000 43766.5301 -222348.3521 159.2106 -266114.8822 -222051.0365 159.2106 -3524.7150 -2418.5489 921491.4634 -3524.7150 -2418.5489
ENERGY: 383 21263.6995 19910.9244 5714.6670 180.7420 -337128.0228 22911.2841 0.0000 0.0000 44707.9446 -222438.7613 162.6352 -267146.7059 -222048.1882 162.6352 -2023.0804 -2294.0133 921491.4634 -2023.0804 -2294.0133
ENERGY: 384 19625.4115 19596.0352 5710.5349 179.0647 -336052.0490 22884.2530 0.0000 0.0000 45539.1834 -222517.5663 165.6590 -268056.7497 -222062.0931 165.6590 -569.2383 -2166.9360 921491.4634 -569.2383 -2166.9360
ENERGY: 385 19327.8182 19356.8912 5707.7751 177.4354 -335210.6405 22871.6139 0.0000 0.0000 45299.7171 -222469.3895 164.7879 -267769.1066 -222051.0999 164.7879 215.3511 -2064.3638 921491.4634 215.3511 -2064.3638
ENERGY: 386 19981.2273 19220.9465 5707.6638 175.9384 -334865.1821 22880.7953 0.0000 0.0000 44519.8586 -222378.7521 161.9510 -266898.6107 -222051.0443 161.9510 122.6667 -2011.2430 921491.4634 122.6667 -2011.2430
ENERGY: 387 20367.2860 19202.4846 5710.9354 174.6759 -335109.8729 22905.2739 0.0000 0.0000 44377.1815 -222372.0355 161.4320 -266749.2170 -222053.0056 161.4320 -738.9587 -2019.1691 921491.4634 -738.9587 -2019.1691
ENERGY: 388 20282.3987 19280.0169 5717.2934 173.7038 -335824.1520 22938.2895 0.0000 0.0000 44972.7760 -222459.6736 163.5986 -267432.4495 -222067.4822 163.5986 -2063.8555 -2076.2823 921491.4634 -2063.8555 -2076.2823
ENERGY: 389 20685.9714 19431.2566 5725.6291 173.0778 -336772.2805 22978.5915 0.0000 0.0000 45279.3792 -222498.3750 164.7139 -267777.7542 -222059.2970 164.7139 -3501.7341 -2158.1994 921491.4634 -3501.7341 -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 21929.5052 19598.7449 5733.9032 172.7580 -337596.2514 23021.3358 0.0000 0.0000 44698.9836 -222441.0207 162.6026 -267140.0043 -222061.4800 162.6026 -4540.4924 -2229.7776 921491.4634 -4540.4924 -2229.7776
ENERGY: 391 22937.3144 19764.3496 5740.3107 172.7562 -338017.7279 23051.7295 0.0000 0.0000 43987.0071 -222364.2603 160.0126 -266351.2674 -222061.6926 160.0126 -4746.5208 -2270.9351 921491.4634 -4746.5208 -2270.9351
ENERGY: 392 22488.0360 19924.0529 5743.6080 173.0775 -337898.4685 23055.0068 0.0000 0.0000 44125.3367 -222389.3505 160.5158 -266514.6872 -222067.3169 160.5158 -3965.0288 -2276.9603 921491.4634 -3965.0288 -2276.9603
ENERGY: 393 20924.3596 20087.8868 5743.5041 173.6901 -337346.1125 23032.5722 0.0000 0.0000 44913.3817 -222470.7179 163.3825 -267384.0996 -222058.1710 163.3825 -2525.7428 -2257.0111 921491.4634 -2525.7428 -2257.0111
ENERGY: 394 19713.0846 20210.4903 5740.1181 174.4904 -336587.4364 23002.1139 0.0000 0.0000 45247.1170 -222500.0220 164.5966 -267747.1390 -222054.8629 164.5966 -988.4120 -2227.7234 921491.4634 -988.4120 -2227.7234
ENERGY: 395 19644.4020 20265.5069 5734.3763 175.3161 -335972.1479 22982.1016 0.0000 0.0000 44739.8934 -222430.5515 162.7514 -267170.4449 -222052.2373 162.7514 57.9319 -2215.1748 921491.4634 57.9319 -2215.1748
ENERGY: 396 20000.9211 20248.4507 5727.6303 175.9620 -335765.9669 22978.8835 0.0000 0.0000 44270.3047 -222363.8145 161.0432 -266634.1193 -222050.8953 161.0432 285.8962 -2246.0850 921491.4634 285.8962 -2246.0850
ENERGY: 397 19906.7784 20200.7711 5721.4919 176.2273 -336102.8175 22990.0372 0.0000 0.0000 44712.8671 -222394.6445 162.6531 -267107.5116 -222042.6603 162.6531 -376.0864 -2327.2103 921491.4634 -376.0864 -2327.2103
ENERGY: 398 19692.8115 20133.3591 5716.9814 176.0456 -336812.3378 23014.0583 0.0000 0.0000 45592.7319 -222486.3499 165.8538 -268079.0819 -222045.7225 165.8538 -1710.2237 -2443.6966 921491.4634 -1710.2237 -2443.6966
ENERGY: 399 20395.5107 20061.2890 5714.6367 175.4775 -337634.0284 23050.4585 0.0000 0.0000 45731.2026 -222505.4535 166.3575 -268236.6560 -222049.1606 166.3575 -3349.4392 -2564.3621 921491.4634 -3349.4392 -2564.3621
LDB: ============= START OF LOAD BALANCING ============== 195.254
LDB: Largest compute 230 load 0.524150 is 1.1% of average load 45.687267
LDB: Average compute 0.063991 is 0.1% of average load 45.687267
LDB: TIME 195.255 LOAD: AVG 45.6873 MAX 46.1108 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.27 MB
LDB: TIME 195.256 LOAD: AVG 45.6873 MAX 46.1108 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.27 MB
LDB: TIME 195.256 LOAD: AVG 45.6873 MAX 46.1108 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.27 MB
LDB: ============== END OF LOAD BALANCING =============== 195.257
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 195.257
Info: Benchmark time: 4 CPUs 0.461046 s/step 5.33618 days/ns 3224.27 MB memory
TIMING: 400 CPU: 189.05, 0.460773/step Wall: 189.05, 0.460773/step, 0.0127993 hours remaining, 3224.273438 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 21983.9556 19981.4879 5714.2278 174.7229 -338264.6725 23090.3527 0.0000 0.0000 44890.2682 -222429.6573 163.2985 -267319.9255 -222060.6833 163.2985 -4748.6077 -2656.9999 921491.4634 -4748.6077 -2656.9999
ENERGY: 401 23053.7072 19909.1475 5715.0562 174.0724 -338477.1021 23114.9567 0.0000 0.0000 44157.6677 -222352.4945 160.6335 -266510.1622 -222050.1992 160.6335 -5384.8815 -2700.1794 921491.4634 -5384.8815 -2700.1794
ENERGY: 402 22444.0480 19835.9106 5715.8942 173.8391 -338107.6286 23109.6378 0.0000 0.0000 44436.8096 -222391.4892 161.6489 -266828.2988 -222049.2228 161.6489 -4939.3795 -2681.7025 921491.4634 -4939.3795 -2681.7025
ENERGY: 403 20784.9696 19778.4826 5715.7218 174.2695 -337239.9784 23077.8403 0.0000 0.0000 45225.5961 -222483.0986 164.5183 -267708.6947 -222046.6856 164.5183 -3613.5979 -2605.7428 921491.4634 -3613.5979 -2605.7428
ENERGY: 404 19687.5954 19735.4028 5713.8114 175.5084 -336169.1146 23038.2901 0.0000 0.0000 45313.8391 -222504.6674 164.8393 -267818.5065 -222060.2376 164.8393 -1967.0749 -2494.0440 921491.4634 -1967.0749 -2494.0440
ENERGY: 405 19798.8802 19696.7725 5710.0281 177.6161 -335317.9354 23008.3949 0.0000 0.0000 44511.4433 -222414.8002 161.9204 -266926.2435 -222047.5594 161.9204 -627.4751 -2380.7864 921491.4634 -627.4751 -2380.7864
ENERGY: 406 20210.3505 19614.0445 5704.4965 180.4779 -334953.8244 22994.4765 0.0000 0.0000 43902.7661 -222347.2126 159.7062 -266249.9786 -222046.2409 159.7062 66.0351 -2300.4797 921491.4634 66.0351 -2300.4797
ENERGY: 407 20044.4889 19493.9066 5698.1032 183.8794 -335181.5240 22996.8163 0.0000 0.0000 44376.0632 -222388.2664 161.4279 -266764.3296 -222047.0775 161.4279 -41.3220 -2272.9970 921491.4634 -41.3220 -2272.9970
ENERGY: 408 19735.8470 19387.6646 5692.2152 187.5226 -335902.8225 23017.8176 0.0000 0.0000 45394.4119 -222487.3436 165.1324 -267881.7555 -222063.5316 165.1324 -920.8280 -2294.1556 921491.4634 -920.8280 -2294.1556
ENERGY: 409 20350.1187 19376.4609 5688.4775 191.1593 -336896.6853 23057.9925 0.0000 0.0000 45733.6057 -222498.8708 166.3663 -268232.4764 -222051.6709 166.3663 -2367.4918 -2346.9325 921491.4634 -2367.4918 -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 21850.5210 19470.1803 5687.6649 194.4179 -337813.1851 23106.2031 0.0000 0.0000 45077.0713 -222427.1265 163.9780 -267504.1978 -222054.6431 163.9780 -3838.6210 -2402.0240 921491.4634 -3838.6210 -2402.0240
ENERGY: 411 22931.8001 19651.0977 5689.8741 197.0388 -338354.2250 23140.9048 0.0000 0.0000 44380.5346 -222362.9750 161.4442 -266743.5096 -222056.2119 161.4442 -4745.1590 -2436.8801 921491.4634 -4745.1590 -2436.8801
ENERGY: 412 22535.8952 19878.8221 5694.3233 198.8205 -338356.4978 23146.2938 0.0000 0.0000 44499.5082 -222402.8346 161.8770 -266902.3428 -222068.4602 161.8770 -4717.2139 -2436.3027 921491.4634 -4717.2139 -2436.3027
ENERGY: 413 21130.1418 20138.5249 5699.9334 199.7191 -337872.5322 23125.1118 0.0000 0.0000 45113.2139 -222465.8873 164.1095 -267579.1012 -222055.3457 164.1095 -3850.6269 -2398.9548 921491.4634 -3850.6269 -2398.9548
ENERGY: 414 19987.3857 20381.5506 5705.1135 199.5118 -337122.7800 23094.4560 0.0000 0.0000 45271.6523 -222483.1101 164.6858 -267754.7624 -222052.1627 164.6858 -2501.3243 -2333.9463 921491.4634 -2501.3243 -2333.9463
ENERGY: 415 19745.2667 20572.1259 5708.7452 198.1487 -336456.1974 23071.1993 0.0000 0.0000 44733.2269 -222427.4848 162.7272 -267160.7117 -222049.0350 162.7272 -1174.6453 -2266.5615 921491.4634 -1174.6453 -2266.5615
ENERGY: 416 19942.3170 20661.9895 5710.0857 195.6954 -336157.5860 23063.1717 0.0000 0.0000 44200.2845 -222384.0423 160.7885 -266584.3268 -222052.9646 160.7885 -282.7614 -2224.6896 921491.4634 -282.7614 -2224.6896
ENERGY: 417 20031.3750 20631.3208 5709.0494 192.4696 -336373.1073 23072.1100 0.0000 0.0000 44338.4614 -222398.3211 161.2911 -266736.7826 -222044.6995 161.2911 -112.4553 -2227.1699 921491.4634 -112.4553 -2227.1699
ENERGY: 418 20154.6648 20457.0907 5705.5847 188.6536 -336970.7865 23098.6727 0.0000 0.0000 44915.1419 -222450.9780 163.3889 -267366.1199 -222046.7095 163.3889 -671.8545 -2269.9921 921491.4634 -671.8545 -2269.9921
ENERGY: 419 20790.7631 20185.5522 5700.4811 184.6055 -337717.8755 23139.8024 0.0000 0.0000 45250.3098 -222466.3615 164.6082 -267716.6713 -222049.5952 164.6082 -1783.9420 -2336.6464 921491.4634 -1783.9420 -2336.6464
TIMING: 420 CPU: 198.242, 0.459592/step Wall: 198.242, 0.459592/step, 0.0102132 hours remaining, 3224.273438 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 21812.8759 19887.3909 5695.0415 180.6770 -338321.5512 23183.0574 0.0000 0.0000 45121.9775 -222440.5309 164.1414 -267562.5084 -222061.1152 164.1414 -3051.6029 -2402.9274 921491.4634 -3051.6029 -2402.9274
ENERGY: 421 22491.6106 19639.6135 5690.9238 177.2518 -338550.3536 23210.1384 0.0000 0.0000 44931.8959 -222408.9197 163.4499 -267340.8156 -222052.6023 163.4499 -4041.3726 -2452.8636 921491.4634 -4041.3726 -2452.8636
ENERGY: 422 22275.7615 19449.5350 5688.9976 174.4058 -338225.0318 23208.5475 0.0000 0.0000 45004.7081 -222423.0762 163.7148 -267427.7843 -222052.8454 163.7148 -4363.1153 -2465.6373 921491.4634 -4363.1153 -2465.6373
ENERGY: 423 21418.8986 19324.4275 5689.6736 172.2145 -337416.8961 23180.6039 0.0000 0.0000 45183.9711 -222447.1068 164.3669 -267631.0779 -222051.5237 164.3669 -3955.8308 -2434.9306 921491.4634 -3955.8308 -2434.9306
ENERGY: 424 20531.3311 19270.7818 5692.6543 170.6563 -336406.2768 23140.4645 0.0000 0.0000 45151.0456 -222449.3433 164.2471 -267600.3889 -222060.4129 164.2471 -3030.1610 -2370.2033 921491.4634 -3030.1610 -2370.2033
ENERGY: 425 19942.3361 19314.5611 5697.3263 169.6876 -335607.5211 23103.7919 0.0000 0.0000 44956.0481 -222423.7699 163.5377 -267379.8180 -222050.7965 163.5377 -1980.9654 -2297.0090 921491.4634 -1980.9654 -2297.0090
ENERGY: 426 19603.3348 19432.3072 5702.4947 169.0990 -335270.6882 23080.2891 0.0000 0.0000 44862.7386 -222420.4248 163.1983 -267283.1634 -222049.1091 163.1983 -1125.8051 -2237.7215 921491.4634 -1125.8051 -2237.7215
ENERGY: 427 19598.5317 19595.2900 5707.1504 168.7509 -335498.4325 23074.5005 0.0000 0.0000 44915.2778 -222438.9312 163.3894 -267354.2090 -222048.7340 163.3894 -741.9009 -2207.6355 921491.4634 -741.9009 -2207.6355
ENERGY: 428 20140.4229 19760.4171 5710.4628 168.5259 -336199.9859 23087.7675 0.0000 0.0000 44884.2598 -222448.1298 163.2766 -267332.3896 -222058.0551 163.2766 -935.5732 -2206.9585 921491.4634 -935.5732 -2206.9585
ENERGY: 429 21147.3676 19912.0619 5712.1358 168.3557 -337181.5912 23116.4518 0.0000 0.0000 44706.5248 -222418.6935 162.6301 -267125.2184 -222045.4882 162.6301 -1630.8084 -2233.4562 921491.4634 -1630.8084 -2233.4562
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9872 20024.3738 5712.1700 168.1897 -338096.9209 23149.4490 0.0000 0.0000 44626.3103 -222402.4408 162.3383 -267028.7511 -222047.3916 162.3383 -2472.2456 -2268.0465 921491.4634 -2472.2456 -2268.0465
ENERGY: 431 22204.1022 20111.4154 5711.2600 168.0704 -338644.7648 23172.3802 0.0000 0.0000 44858.4633 -222419.0733 163.1828 -267277.5366 -222048.7170 163.1828 -3116.2805 -2293.5592 921491.4634 -3116.2805 -2293.5592
ENERGY: 432 21768.3705 20188.6725 5710.3547 168.1086 -338651.2106 23176.0843 0.0000 0.0000 45177.9911 -222461.6289 164.3451 -267639.6201 -222065.9062 164.3451 -3350.2743 -2296.1498 921491.4634 -3350.2743 -2296.1498
ENERGY: 433 21200.9073 20275.9665 5710.3763 168.4633 -338164.0642 23162.2908 0.0000 0.0000 45192.9284 -222453.1315 164.3995 -267646.0600 -222052.5986 164.3995 -3187.3734 -2272.1277 921491.4634 -3187.3734 -2272.1277
ENERGY: 434 20730.3414 20338.1500 5711.6061 169.3247 -337394.2708 23140.7733 0.0000 0.0000 44883.0998 -222420.9756 163.2724 -267304.0754 -222051.1467 163.2724 -2694.3109 -2227.7885 921491.4634 -2694.3109 -2227.7885
ENERGY: 435 20235.2202 20362.4015 5714.0003 170.8455 -336680.6559 23123.4096 0.0000 0.0000 44675.9839 -222398.7949 162.5190 -267074.7788 -222049.5893 162.5190 -2061.3583 -2179.8951 921491.4634 -2061.3583 -2179.8951
ENERGY: 436 19670.9244 20349.9981 5717.2345 173.0864 -336303.8816 23119.9077 0.0000 0.0000 44847.0984 -222425.6321 163.1414 -267272.7305 -222059.6963 163.1414 -1520.6599 -2145.1617 921491.4634 -1520.6599 -2145.1617
ENERGY: 437 19434.5518 20329.5091 5720.9894 175.9827 -336411.9788 23136.3867 0.0000 0.0000 45159.2687 -222455.2905 164.2770 -267614.5592 -222050.7507 164.2770 -1319.1169 -2134.4848 921491.4634 -1319.1169 -2134.4848
ENERGY: 438 19935.1533 20278.6094 5724.6884 179.3848 -336899.4580 23173.5519 0.0000 0.0000 45148.1324 -222459.9377 164.2365 -267608.0702 -222051.5672 164.2365 -1493.0940 -2145.0881 921491.4634 -1493.0940 -2145.0881
ENERGY: 439 21052.7406 20184.4295 5727.7929 183.0561 -337561.7722 23224.7482 0.0000 0.0000 44760.8212 -222428.1837 162.8276 -267189.0048 -222052.7969 162.8276 -1936.1988 -2169.8747 921491.4634 -1936.1988 -2169.8747
TIMING: 440 CPU: 207.425, 0.459114/step Wall: 207.425, 0.459114/step, 0.00765191 hours remaining, 3224.273438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5683 20036.2371 5729.7527 186.7201 -338123.1810 23276.2486 0.0000 0.0000 44417.5459 -222405.1082 161.5788 -266822.6542 -222059.4776 161.5788 -2408.4612 -2197.9671 921491.4634 -2408.4612 -2197.9671
ENERGY: 441 22355.5486 19860.0409 5730.3488 190.1145 -338361.1720 23313.2046 0.0000 0.0000 44502.6963 -222409.2182 161.8886 -266911.9145 -222050.0863 161.8886 -2716.1027 -2221.5314 921491.4634 -2716.1027 -2221.5314
ENERGY: 442 21853.6119 19664.5350 5729.4854 192.9411 -338090.1539 23327.1569 0.0000 0.0000 44880.6318 -222441.7916 163.2634 -267322.4235 -222049.7758 163.2634 -2710.5577 -2229.0696 921491.4634 -2710.5577 -2229.0696
ENERGY: 443 21064.3317 19487.0724 5727.6165 194.9329 -337369.3157 23320.0160 0.0000 0.0000 45118.1106 -222457.2357 164.1273 -267575.3463 -222048.5999 164.1273 -2448.1650 -2220.3531 921491.4634 -2448.1650 -2220.3531
ENERGY: 444 20449.3365 19357.2691 5725.4095 195.8734 -336464.1930 23301.5278 0.0000 0.0000 44987.7177 -222447.0590 163.6530 -267434.7766 -222057.9799 163.6530 -2090.2099 -2206.4398 921491.4634 -2090.2099 -2206.4398
ENERGY: 445 20125.5610 19307.2518 5723.6513 195.6942 -335759.3923 23283.8142 0.0000 0.0000 44708.7155 -222414.7043 162.6380 -267123.4198 -222046.5430 162.6380 -1846.9626 -2201.6924 921491.4634 -1846.9626 -2201.6924
ENERGY: 446 19947.6807 19324.9006 5722.5430 194.3235 -335494.5718 23276.0454 0.0000 0.0000 44620.2945 -222408.7841 162.3164 -267029.0786 -222046.1622 162.3164 -1800.7517 -2216.7292 921491.4634 -1800.7517 -2216.7292
ENERGY: 447 19914.2851 19416.0210 5722.2107 191.8641 -335769.4409 23282.7461 0.0000 0.0000 44816.5087 -222425.8052 163.0301 -267242.3139 -222046.8345 163.0301 -1993.3110 -2253.0602 921491.4634 -1993.3110 -2253.0602
ENERGY: 448 20187.5922 19583.6800 5722.5765 188.5554 -336503.1809 23303.8907 0.0000 0.0000 45065.6674 -222451.2187 163.9365 -267516.8861 -222059.3482 163.9365 -2372.1876 -2303.7897 921491.4634 -2372.1876 -2303.7897
ENERGY: 449 20877.4059 19832.6986 5723.5713 184.8596 -337500.9079 23334.5927 0.0000 0.0000 45101.1678 -222446.6121 164.0657 -267547.7799 -222047.7101 164.0657 -2827.1078 -2356.1406 921491.4634 -2827.1078 -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 21754.4852 20108.1300 5724.4776 181.0897 -338419.3255 23364.6246 0.0000 0.0000 44854.3095 -222432.2088 163.1677 -267286.5183 -222048.7862 163.1677 -3116.6754 -2394.3895 921491.4634 -3116.6754 -2394.3895
ENERGY: 451 22355.5902 20357.7255 5724.7144 177.6517 -338952.0913 23381.8011 0.0000 0.0000 44542.6983 -222411.9102 162.0341 -266954.6084 -222048.8247 162.0341 -3074.2531 -2405.7796 921491.4634 -3074.2531 -2405.7796
ENERGY: 452 22246.2016 20536.0135 5723.8954 174.8859 -338927.1543 23378.0948 0.0000 0.0000 44452.9190 -222415.1443 161.7075 -266868.0633 -222059.6374 161.7075 -2659.9606 -2384.7568 921491.4634 -2659.9606 -2384.7568
ENERGY: 453 21399.8727 20641.1312 5722.2879 173.1350 -338392.7939 23354.5912 0.0000 0.0000 44683.7027 -222418.0733 162.5470 -267101.7760 -222043.5375 162.5470 -2048.3340 -2342.4668 921491.4634 -2048.3340 -2342.4668
ENERGY: 454 20248.3381 20654.1374 5720.2218 172.3637 -337567.1420 23320.6906 0.0000 0.0000 45008.1459 -222443.2445 163.7273 -267451.3904 -222041.8394 163.7273 -1453.4580 -2293.1450 921491.4634 -1453.4580 -2293.1450
ENERGY: 455 19486.7907 20584.7120 5718.4845 172.5169 -336790.6458 23290.4028 0.0000 0.0000 45086.5781 -222451.1607 164.0126 -267537.7388 -222040.8573 164.0126 -1151.8825 -2255.8571 921491.4634 -1151.8825 -2255.8571
ENERGY: 456 19493.3723 20440.6800 5717.7556 173.4249 -336350.1079 23274.9637 0.0000 0.0000 44811.4718 -222438.4397 163.0118 -267249.9115 -222055.3488 163.0118 -1305.5003 -2245.5821 921491.4634 -1305.5003 -2245.5821
ENERGY: 457 20047.4930 20251.9433 5718.5580 174.9241 -336395.8167 23277.8280 0.0000 0.0000 44521.8697 -222403.2004 161.9583 -266925.0702 -222049.4135 161.9583 -1906.4163 -2263.5011 921491.4634 -1906.4163 -2263.5011
ENERGY: 458 20585.8434 20019.2721 5720.7061 176.6081 -336835.0959 23294.7178 0.0000 0.0000 44632.7883 -222405.1601 162.3618 -267037.9484 -222051.2824 162.3618 -2684.6985 -2301.0425 921491.4634 -2684.6985 -2301.0425
ENERGY: 459 20903.4944 19784.9688 5724.0022 178.1985 -337468.1643 23318.6988 0.0000 0.0000 45113.9362 -222444.8655 164.1121 -267558.8017 -222053.1413 164.1121 -3350.5829 -2341.5794 921491.4634 -3350.5829 -2341.5794
TIMING: 460 CPU: 216.599, 0.458703/step Wall: 216.599, 0.458703/step, 0.0050967 hours remaining, 3224.273438 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 21262.6137 19597.9063 5728.0972 179.4910 -338014.3771 23341.8006 0.0000 0.0000 45423.8560 -222480.6123 165.2395 -267904.4683 -222064.6843 165.2395 -3669.8201 -2365.2413 921491.4634 -3669.8201 -2365.2413
ENERGY: 461 21862.8763 19507.1076 5732.5753 180.4333 -338251.6221 23355.3940 0.0000 0.0000 45154.6130 -222458.6226 164.2601 -267613.2357 -222058.0514 164.2601 -3556.1667 -2361.1800 921491.4634 -3556.1667 -2361.1800
ENERGY: 462 22264.2257 19487.8111 5736.4823 180.9531 -337988.7176 23351.1090 0.0000 0.0000 44559.9283 -222408.2081 162.0968 -266968.1364 -222056.7221 162.0968 -2954.8202 -2323.4251 921491.4634 -2954.8202 -2323.4251
ENERGY: 463 21821.1792 19513.9019 5738.9361 181.1160 -337284.1036 23326.9481 0.0000 0.0000 44313.4563 -222388.5659 161.2002 -266702.0223 -222054.6249 161.2002 -2012.4426 -2264.0779 921491.4634 -2012.4426 -2264.0779
ENERGY: 464 20535.2460 19559.9276 5739.2518 181.0096 -336389.3845 23291.1946 0.0000 0.0000 44654.0261 -222428.7288 162.4391 -267082.7549 -222058.5732 162.4391 -1050.9227 -2205.5267 921491.4634 -1050.9227 -2205.5267
ENERGY: 465 19322.7827 19631.8858 5737.2899 180.7155 -335701.1539 23259.7395 0.0000 0.0000 45094.5683 -222474.1723 164.0416 -267568.7405 -222052.9391 164.0416 -512.3346 -2174.4007 921491.4634 -512.3346 -2174.4007
ENERGY: 466 19088.4511 19708.3585 5733.2107 180.2808 -335443.7731 23245.0607 0.0000 0.0000 45020.7903 -222467.6209 163.7733 -267488.4112 -222052.9789 163.7733 -630.3313 -2182.6709 921491.4634 -630.3313 -2182.6709
ENERGY: 467 19841.8071 19783.1745 5727.6704 179.7757 -335721.0956 23249.4533 0.0000 0.0000 44523.6661 -222415.5486 161.9649 -266939.2147 -222054.3498 161.9649 -1393.6027 -2232.5923 921491.4634 -1393.6027 -2232.5923
ENERGY: 468 20761.8482 19845.4944 5721.5090 179.2779 -336451.5671 23265.8128 0.0000 0.0000 44291.6583 -222385.9666 161.1209 -266677.6249 -222056.3594 161.1209 -2508.6712 -2314.1340 921491.4634 -2508.6712 -2314.1340
ENERGY: 469 21236.3015 19910.2022 5715.6824 178.8504 -337458.3206 23284.3964 0.0000 0.0000 44720.3202 -222412.5675 162.6802 -267132.8877 -222046.0753 162.6802 -3596.7405 -2405.7972 921491.4634 -3596.7405 -2405.7972
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1730 19972.8934 5710.9491 178.5947 -338383.2512 23297.0675 0.0000 0.0000 45346.4574 -222466.1159 164.9579 -267812.5734 -222047.6091 164.9579 -4259.6995 -2477.6831 921491.4634 -4259.6995 -2477.6831
ENERGY: 471 21732.8679 20054.6835 5707.9626 178.5890 -338913.2456 23297.5087 0.0000 0.0000 45471.3366 -222470.2973 165.4122 -267941.6339 -222047.5362 165.4122 -4290.5684 -2504.3175 921491.4634 -4290.5684 -2504.3175
ENERGY: 472 22081.2363 20161.5550 5707.0091 178.9047 -338870.6770 23279.4493 0.0000 0.0000 45028.5295 -222433.9930 163.8014 -267462.5225 -222059.5059 163.8014 -3659.7361 -2479.9183 921491.4634 -3659.7361 -2479.9183
ENERGY: 473 21866.1364 20289.3424 5707.9843 179.6165 -338307.7193 23240.7365 0.0000 0.0000 44634.5173 -222389.3860 162.3681 -267023.9033 -222043.8540 162.3681 -2556.3616 -2408.1656 921491.4634 -2556.3616 -2408.1656
ENERGY: 474 20842.9705 20372.0984 5710.2160 180.7466 -337438.4554 23189.2350 0.0000 0.0000 44733.2307 -222409.9582 162.7272 -267143.1889 -222041.2620 162.7272 -1295.5525 -2316.2727 921491.4634 -1295.5525 -2316.2727
ENERGY: 475 19674.2082 20371.7671 5712.9876 182.2512 -336604.2315 23142.3819 0.0000 0.0000 45070.2139 -222450.4217 163.9531 -267520.6356 -222039.4531 163.9531 -344.6448 -2232.2125 921491.4634 -344.6448 -2232.2125
ENERGY: 476 19235.7864 20282.0271 5715.7683 184.0125 -336100.0910 23115.8467 0.0000 0.0000 45106.0634 -222460.5866 164.0835 -267566.6500 -222053.6142 164.0835 -92.4050 -2183.0654 921491.4634 -92.4050 -2183.0654
ENERGY: 477 19704.7252 20145.9810 5718.4976 185.9230 -336101.8797 23114.2940 0.0000 0.0000 44812.3210 -222420.1379 163.0149 -267232.4589 -222044.8415 163.0149 -667.4946 -2171.8230 921491.4634 -667.4946 -2171.8230
ENERGY: 478 20493.4777 19974.7636 5721.0254 187.7262 -336537.4044 23131.2460 0.0000 0.0000 44627.0336 -222402.1319 162.3409 -267029.1655 -222047.4111 162.3409 -1807.1605 -2198.7958 921491.4634 -1807.1605 -2198.7958
ENERGY: 479 21125.3058 19793.3955 5723.3295 189.2099 -337215.5847 23156.6772 0.0000 0.0000 44802.1581 -222425.5087 162.9779 -267227.6668 -222050.5464 162.9779 -3089.8517 -2246.7919 921491.4634 -3089.8517 -2246.7919
TIMING: 480 CPU: 225.762, 0.45818/step Wall: 225.762, 0.45818/step, 0.00254544 hours remaining, 3224.273438 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 21624.0328 19623.1966 5725.3111 190.1900 -337854.6793 23181.5117 0.0000 0.0000 45051.6817 -222458.7553 163.8856 -267510.4371 -222064.6213 163.8856 -4077.7327 -2291.4892 921491.4634 -4077.7327 -2291.4892
ENERGY: 481 22092.4856 19510.0437 5727.0952 190.6351 -338199.2490 23196.7958 0.0000 0.0000 45041.3369 -222440.8566 163.8480 -267482.1936 -222052.5269 163.8480 -4466.2395 -2305.6733 921491.4634 -4466.2395 -2305.6733
ENERGY: 482 22186.3470 19466.6799 5728.4963 190.3598 -338044.5428 23192.7473 0.0000 0.0000 44865.8521 -222414.0604 163.2096 -267279.9125 -222051.4116 163.2096 -4059.3100 -2278.0616 921491.4634 -4059.3100 -2278.0616
ENERGY: 483 21553.1415 19511.5751 5729.5660 189.3226 -337426.2196 23165.8739 0.0000 0.0000 44861.8971 -222414.8433 163.1953 -267276.7404 -222048.7676 163.1953 -2964.1724 -2216.4117 921491.4634 -2964.1724 -2216.4117
ENERGY: 484 20460.8927 19631.1945 5730.2465 187.5455 -336590.8894 23126.1349 0.0000 0.0000 45003.6034 -222451.2719 163.7107 -267454.8753 -222059.8744 163.7107 -1565.2427 -2143.1852 921491.4634 -1565.2427 -2143.1852
ENERGY: 485 19688.7722 19800.2996 5730.5256 185.2458 -335902.5875 23092.8468 0.0000 0.0000 44955.5727 -222449.3248 163.5360 -267404.8975 -222045.9608 163.5360 -422.1572 -2086.8738 921491.4634 -422.1572 -2086.8738
ENERGY: 486 19602.5428 19954.8180 5729.7197 182.4662 -335612.3575 23080.3805 0.0000 0.0000 44645.9119 -222416.5184 162.4096 -267062.4303 -222044.6762 162.4096 87.3179 -2070.0984 921491.4634 87.3179 -2070.0984
ENERGY: 487 19881.0926 20072.0215 5727.4347 179.4360 -335846.4487 23091.0541 0.0000 0.0000 44503.3496 -222392.0601 161.8910 -266895.4098 -222045.2409 161.8910 -192.2348 -2106.8843 921491.4634 -192.2348 -2106.8843
ENERGY: 488 20125.2098 20156.1362 5723.5441 176.4338 -336552.5454 23118.8613 0.0000 0.0000 44827.0560 -222425.3042 163.0685 -267252.3602 -222057.1939 163.0685 -1145.7534 -2194.6681 921491.4634 -1145.7534 -2194.6681
ENERGY: 489 20526.8871 20236.4609 5718.5748 173.8639 -337540.4655 23156.7307 0.0000 0.0000 45266.1007 -222461.8473 164.6656 -267727.9481 -222045.6086 164.6656 -2511.2405 -2316.7067 921491.4634 -2511.2405 -2316.7067
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7489 20292.9021 5712.8912 171.8438 -338458.1359 23196.4874 0.0000 0.0000 45213.5631 -222459.6994 164.4745 -267673.2624 -222048.2208 164.4745 -3823.4039 -2437.4156 921491.4634 -3823.4039 -2437.4156
ENERGY: 491 22430.4640 20312.1360 5707.3795 170.5404 -338984.5790 23226.0934 0.0000 0.0000 44733.0089 -222404.9569 162.7264 -267137.9658 -222049.4638 162.7264 -4629.6935 -2524.6216 921491.4634 -4629.6935 -2524.6216
ENERGY: 492 22612.9548 20289.6810 5702.9944 170.0208 -338937.5813 23232.7202 0.0000 0.0000 44542.1949 -222387.0153 162.0323 -266929.2102 -222060.3862 162.0323 -4606.8526 -2557.4731 921491.4634 -4606.8526 -2557.4731
ENERGY: 493 21558.2188 20260.7374 5700.7779 170.3201 -338358.0630 23214.0533 0.0000 0.0000 45033.8228 -222420.1328 163.8207 -267453.9556 -222046.5903 163.8207 -3796.3821 -2540.0998 921491.4634 -3796.3821 -2540.0998
ENERGY: 494 20068.3366 20225.0260 5700.9806 171.2193 -337454.3831 23183.0792 0.0000 0.0000 45622.2473 -222483.4941 165.9612 -268105.7415 -222044.0870 165.9612 -2500.8994 -2482.1070 921491.4634 -2500.8994 -2482.1070
ENERGY: 495 19383.2462 20186.8300 5703.5926 172.5416 -336566.9882 23159.4621 0.0000 0.0000 45484.1229 -222477.1927 165.4587 -267961.3156 -222041.5565 165.4587 -1249.6839 -2407.3057 921491.4634 -1249.6839 -2407.3057
ENERGY: 496 19722.4833 20130.6471 5708.0350 174.0933 -335998.7152 23154.2632 0.0000 0.0000 44699.5267 -222409.6664 162.6046 -267109.1931 -222049.0674 162.6046 -478.8999 -2343.4752 921491.4634 -478.8999 -2343.4752
ENERGY: 497 20212.6667 20059.9175 5713.4613 175.7242 -335952.5039 23166.3542 0.0000 0.0000 44261.0285 -222363.3515 161.0095 -266624.3799 -222042.7504 161.0095 -421.0233 -2316.7929 921491.4634 -421.0233 -2316.7929
ENERGY: 498 20182.0163 19957.1216 5718.5597 177.2604 -336366.4930 23189.3582 0.0000 0.0000 44728.2531 -222413.9238 162.7091 -267142.1769 -222044.5224 162.7091 -993.4680 -2331.6474 921491.4634 -993.4680 -2331.6474
ENERGY: 499 20158.0676 19847.7310 5722.4089 178.6361 -337058.4822 23219.2401 0.0000 0.0000 45439.2640 -222493.1344 165.2956 -267932.3984 -222047.2066 165.2956 -2020.8689 -2376.3392 921491.4634 -2020.8689 -2376.3392
Info: Benchmark time: 4 CPUs 0.458006 s/step 5.30099 days/ns 3224.27 MB memory
TIMING: 500 CPU: 234.851, 0.454447/step Wall: 234.851, 0.454447/step, 0 hours remaining, 3224.273438 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 20974.8936 19756.6587 5724.4523 179.8271 -337741.4190 23251.1005 0.0000 0.0000 45359.0773 -222495.4094 165.0039 -267854.4867 -222061.0913 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, 3229.566 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.566 MB of memory in use
====================================================
WallClock: 241.946854 CPUTime: 241.946854 Memory: 3229.566406 MB
[Partition 0][Node 0] End of program
Application 1111246 resources: utime ~950s, stime ~19s, Rss ~127128, inblocks ~66552, outblocks ~71878
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.946854
CPU=241.946854
MEM=3229.566406
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 18 14:51 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 18 14:51 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 18 14:51 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 18 14:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189493 Dec 18 14:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 18 14:46 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 18 14:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 18 14:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 18 14:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 18 14:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 18 14:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 18 14:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 18 14:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 18 14:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 18 14:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 18 14:21 retest
drwxr-xr-x 12 bwjenkins BW_System 4096 Sep 8 2010 tcl8.5.9
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins2203218172742959407.sh
+ rm -rf /var/lib/jenkins/jobs/NAMD/workspace/cputime /var/lib/jenkins/jobs/NAMD/workspace/memory /var/lib/jenkins/jobs/NAMD/workspace/namd /var/lib/jenkins/jobs/NAMD/workspace/wallclock
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD/workspace
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD/workspace
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD/workspace/memory
Finished: SUCCESS
![[Jenkins]](/static/755cd4af/images/svgs/logo.svg){kind=logo}
