Skipping 718 KB..
Full Log
ENERGY: 86 22361.2995 19720.3241 5758.5583 173.6091 -332514.8436 22921.5212 0.0000 0.0000 39480.2343 -222099.2970 143.6182 -261579.5314 -222396.4726 143.6182 -1408.4307 -1992.0456 921491.4634 -1408.4307 -1992.0456
ENERGY: 87 21898.5872 20858.8152 5750.7775 172.4431 -333299.4426 22859.7331 0.0000 0.0000 39513.3020 -222245.7844 143.7385 -261759.0864 -222398.3219 143.7385 -1739.2135 -2002.6067 921491.4634 -1739.2135 -2002.6067
ENERGY: 88 19807.2124 21236.1262 5737.2297 173.3188 -334313.4193 22793.0785 0.0000 0.0000 42007.3340 -222559.1197 152.8111 -264566.4537 -222408.9126 152.8111 -2036.3958 -2043.8955 921491.4634 -2036.3958 -2043.8955
ENERGY: 89 20138.2922 20745.5546 5719.3133 176.3160 -335202.8321 22743.6988 0.0000 0.0000 43113.7498 -222565.9073 156.8360 -265679.6571 -222389.0011 156.8360 -2409.8247 -2071.1686 921491.4634 -2409.8247 -2071.1686
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 90 22711.6049 19691.0676 5699.8921 181.1111 -335712.1130 22705.2745 0.0000 0.0000 42377.6759 -222345.4868 154.1583 -264723.1626 -222389.2090 154.1583 -2670.9833 -2080.5818 921491.4634 -2670.9833 -2080.5818
ENERGY: 91 23737.5989 18627.1145 5683.0577 187.2277 -335678.4156 22643.5818 0.0000 0.0000 42539.3830 -222260.4519 154.7466 -264799.8349 -222388.3578 154.7466 -2499.0954 -2078.8098 921491.4634 -2499.0954 -2078.8098
ENERGY: 92 21523.8221 18060.4536 5672.6738 194.0387 -335129.0784 22543.7115 0.0000 0.0000 44665.3079 -222469.0707 162.4801 -267134.3787 -222389.6057 162.4801 -1910.9683 -2078.9076 921491.4634 -1910.9683 -2078.9076
ENERGY: 93 18788.3598 18281.5995 5671.3717 200.9119 -334319.2923 22433.7892 0.0000 0.0000 46311.8834 -222631.3769 168.4699 -268943.2602 -222367.8859 168.4699 -1385.1718 -2068.2565 921491.4634 -1385.1718 -2068.2565
ENERGY: 94 18530.9328 19242.9914 5679.4418 207.1113 -333693.3059 22351.2077 0.0000 0.0000 45144.9171 -222536.7038 164.2248 -267681.6209 -222367.0863 164.2248 -1347.2600 -2063.4575 921491.4634 -1347.2600 -2063.4575
ENERGY: 95 20040.4585 20654.3436 5695.3527 212.0382 -333603.6975 22302.2586 0.0000 0.0000 42387.6997 -222311.5461 154.1948 -264699.2458 -222367.4632 154.1948 -1793.7081 -2083.6407 921491.4634 -1793.7081 -2083.6407
ENERGY: 96 20584.1063 22050.3788 5716.0483 215.1945 -334091.8989 22265.7316 0.0000 0.0000 40970.7077 -222289.7316 149.0402 -263260.4392 -222356.3660 149.0402 -2389.6990 -2142.8256 921491.4634 -2389.6990 -2142.8256
ENERGY: 97 19809.1308 22949.2011 5737.7476 216.2279 -334886.9638 22225.8322 0.0000 0.0000 41505.2398 -222443.5844 150.9847 -263948.8242 -222346.5814 150.9847 -2891.9374 -2214.1665 921491.4634 -2891.9374 -2214.1665
ENERGY: 98 19979.7556 22958.8353 5756.3117 214.8681 -335616.8430 22188.2114 0.0000 0.0000 41993.4227 -222525.4381 152.7605 -264518.8608 -222347.6397 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 -222391.5262 150.6934 -263816.7031 -222348.0704 150.6934 -3235.8098 -2296.7688 921491.4634 -3235.8098 -2296.7688
LDB: ============= START OF LOAD BALANCING ============== 54.5351
LDB: Largest compute 200 load 0.435512 is 1.2% of average load 36.818434
LDB: Average compute 0.051572 is 0.1% of average load 36.818434
LDB: Partitioning computes with target load 3.681843
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.056058
LDB: ============== END OF LOAD BALANCING =============== 54.5372
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.5381
Info: Initial time: 4 CPUs 0.474822 s/step 5.49562 days/ns 3221.52 MB memory
TIMING: 100 CPU: 48.4552, 0.473917/step Wall: 48.4552, 0.473917/step, 0.0526575 hours remaining, 3221.515625 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 100 23587.3021 20475.3730 5773.0376 205.1509 -335896.4622 22125.7987 0.0000 0.0000 41455.8050 -222273.9949 150.8048 -263729.7999 -222326.1724 150.8048 -2788.3920 -2294.3880 921491.4634 -2788.3920 -2294.3880
ENERGY: 101 22287.3000 18933.8502 5770.3900 197.5201 -335238.2412 22065.3980 0.0000 0.0000 43590.2956 -222393.4873 158.5695 -265983.7829 -222319.4705 158.5695 -1880.2674 -2262.6846 921491.4634 -1880.2674 -2262.6846
ENERGY: 102 19420.3336 17951.6561 5762.8059 188.8891 -334088.2233 21980.7895 0.0000 0.0000 46153.7218 -222630.0272 167.8946 -268783.7491 -222317.3980 167.8946 -924.5795 -2215.2271 921491.4634 -924.5795 -2215.2271
ENERGY: 103 18429.6589 17794.2510 5753.5002 180.0834 -332765.4444 21898.9792 0.0000 0.0000 46061.5885 -222647.3833 167.5594 -268708.9718 -222315.0113 167.5594 -521.9323 -2162.1475 921491.4634 -521.9323 -2162.1475
ENERGY: 104 20135.5161 18313.1191 5745.4365 171.9705 -331716.6191 21838.6802 0.0000 0.0000 43114.8220 -222397.0747 156.8399 -265511.8966 -222300.0341 156.8399 -904.7452 -2132.5693 921491.4634 -904.7452 -2132.5693
ENERGY: 105 21674.8147 19112.5118 5740.5773 165.3638 -331353.5903 21791.8563 0.0000 0.0000 40663.3132 -222205.1532 147.9220 -262868.4664 -222297.2860 147.9220 -1781.0302 -2140.0925 921491.4634 -1781.0302 -2140.0925
ENERGY: 106 20688.3525 19760.1603 5739.0355 160.9482 -331684.6910 21743.4748 0.0000 0.0000 41270.8909 -222321.8288 150.1322 -263592.7197 -222299.8101 150.1322 -2687.8654 -2192.8737 921491.4634 -2687.8654 -2192.8737
ENERGY: 107 18828.1850 20041.3659 5739.7936 159.1631 -332486.5658 21693.8616 0.0000 0.0000 43452.4232 -222571.7734 158.0680 -266024.1966 -222302.3923 158.0680 -3435.4055 -2264.9714 921491.4634 -3435.4055 -2264.9714
ENERGY: 108 19374.7526 19955.6334 5740.9974 160.1493 -333435.9261 21654.4582 0.0000 0.0000 43952.1729 -222597.7623 159.8859 -266549.9352 -222305.0562 159.8859 -3989.5483 -2325.7046 921491.4634 -3989.5483 -2325.7046
ENERGY: 109 22394.0521 19651.8555 5740.7059 163.7566 -334323.6676 21623.9119 0.0000 0.0000 42380.9038 -222368.4818 154.1701 -264749.3856 -222289.2480 154.1701 -4162.2878 -2354.5142 921491.4634 -4162.2878 -2354.5142
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 110 24310.7313 19315.3191 5736.8740 169.5643 -334907.1599 21583.6716 0.0000 0.0000 41568.0398 -222222.9597 151.2131 -263790.9996 -222288.3775 151.2131 -3608.1963 -2356.1915 921491.4634 -3608.1963 -2356.1915
ENERGY: 111 22660.5937 19186.3867 5728.6091 176.9885 -335028.8259 21518.8535 0.0000 0.0000 43385.4035 -222371.9908 157.8242 -265757.3943 -222286.8994 157.8242 -2331.3778 -2338.2312 921491.4634 -2331.3778 -2338.2312
ENERGY: 112 19381.8200 19463.5169 5716.4074 185.3624 -334677.6372 21440.9489 0.0000 0.0000 45860.8186 -222628.7631 166.8291 -268489.5817 -222302.4565 166.8291 -894.2293 -2309.1963 921491.4634 -894.2293 -2309.1963
ENERGY: 113 18216.1582 20180.8084 5702.4491 194.0323 -334046.4823 21376.2231 0.0000 0.0000 45761.5816 -222615.2297 166.4681 -268376.8113 -222273.7398 166.4681 -55.6425 -2273.8625 921491.4634 -55.6425 -2273.8625
ENERGY: 114 19843.9972 21062.4095 5689.3793 202.2945 -333472.4287 21337.7636 0.0000 0.0000 42964.6871 -222371.8974 156.2937 -265336.5845 -222272.2450 156.2937 -128.5962 -2261.6571 921491.4634 -128.5962 -2261.6571
ENERGY: 115 21448.4484 21679.6563 5680.2429 209.5308 -333239.9677 21316.4507 0.0000 0.0000 40710.1057 -222195.5329 148.0922 -262905.6386 -222272.7004 148.0922 -905.3246 -2296.5621 921491.4634 -905.3246 -2296.5621
ENERGY: 116 20838.2582 21694.4197 5677.2615 215.2237 -333429.0367 21301.4963 0.0000 0.0000 41385.0932 -222317.2841 150.5476 -263702.3773 -222276.5256 150.5476 -2000.5238 -2380.1423 921491.4634 -2000.5238 -2380.1423
ENERGY: 117 19309.7302 21105.1713 5681.4214 219.0426 -333858.2253 21295.0741 0.0000 0.0000 43733.0003 -222514.7853 159.0886 -266247.7856 -222254.7023 159.0886 -3196.9892 -2479.5443 921491.4634 -3196.9892 -2479.5443
ENERGY: 118 19488.7485 20180.1712 5691.5867 220.7069 -334305.8417 21303.6950 0.0000 0.0000 44852.5145 -222568.4189 163.1611 -267420.9334 -222257.5956 163.1611 -4287.8518 -2560.8626 921491.4634 -4287.8518 -2560.8626
ENERGY: 119 21608.8170 19327.4369 5705.7183 220.1523 -334582.5766 21318.6506 0.0000 0.0000 43971.5398 -222430.2616 159.9564 -266401.8014 -222258.7218 159.9564 -4948.0951 -2603.4635 921491.4634 -4948.0951 -2603.4635
LDB: ============= START OF LOAD BALANCING ============== 63.9943
LDB: ============== END OF LOAD BALANCING =============== 63.9944
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.9949
TIMING: 120 CPU: 57.9095, 0.472715/step Wall: 57.9095, 0.472715/step, 0.0498977 hours remaining, 3221.714844 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 120 23278.7483 18843.5009 5721.1112 217.5091 -334559.3219 21317.8986 0.0000 0.0000 42838.0031 -222342.5508 155.8329 -265180.5539 -222260.9691 155.8329 -4802.3839 -2609.8232 921491.4634 -4802.3839 -2609.8232
ENERGY: 121 22753.8287 18833.9840 5735.1155 213.1885 -334109.3886 21287.1663 0.0000 0.0000 42902.9083 -222383.1974 156.0690 -265286.1057 -222238.8453 156.0690 -3789.7330 -2573.0323 921491.4634 -3789.7330 -2573.0323
ENERGY: 122 20911.3205 19183.7910 5744.9150 207.6394 -333246.0909 21235.0875 0.0000 0.0000 43471.2680 -222492.0696 158.1365 -265963.3375 -222236.2046 158.1365 -2259.2351 -2503.9465 921491.4634 -2259.2351 -2503.9465
ENERGY: 123 19716.6567 19702.2260 5748.9495 201.5075 -332195.6663 21181.3172 0.0000 0.0000 43159.1487 -222485.8607 157.0011 -265645.0095 -222233.3014 157.0011 -827.7758 -2423.1751 921491.4634 -827.7758 -2423.1751
ENERGY: 124 19701.7331 20151.8501 5747.1965 195.4812 -331340.9822 21138.0467 0.0000 0.0000 42008.6530 -222398.0217 152.8159 -264406.6746 -222234.8508 152.8159 8.3516 -2371.2952 921491.4634 8.3516 -2371.2952
ENERGY: 125 19961.8489 20319.7042 5741.5018 190.2907 -331002.3873 21106.9630 0.0000 0.0000 41347.6160 -222334.4627 150.4113 -263682.0787 -222218.5351 150.4113 16.1240 -2370.5229 921491.4634 16.1240 -2370.5229
ENERGY: 126 19913.8780 20060.3739 5734.4100 186.3237 -331257.3385 21089.4917 0.0000 0.0000 41888.6056 -222384.2555 152.3792 -264272.8611 -222220.0403 152.3792 -757.3345 -2430.8872 921491.4634 -757.3345 -2430.8872
ENERGY: 127 20034.1246 19457.5518 5728.8730 183.8512 -331985.2678 21088.4979 0.0000 0.0000 43047.2720 -222445.0972 156.5941 -265492.3692 -222223.2517 156.5941 -2122.5053 -2533.3235 921491.4634 -2122.5053 -2533.3235
ENERGY: 128 20681.9268 18818.3078 5727.0308 182.9174 -332977.2825 21101.0436 0.0000 0.0000 44006.3125 -222459.7437 160.0829 -266466.0561 -222232.5706 160.0829 -3698.9565 -2655.1908 921491.4634 -3698.9565 -2655.1908
ENERGY: 129 21368.2886 18554.7976 5729.8505 183.4688 -333997.8248 21115.0501 0.0000 0.0000 44607.0893 -222439.2800 162.2683 -267046.3693 -222215.2564 162.2683 -4993.9821 -2763.9222 921491.4634 -4993.9821 -2763.9222
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 130 21553.6088 18898.7762 5736.4508 185.0194 -334776.0136 21118.0422 0.0000 0.0000 44811.1497 -222472.9666 163.0106 -267284.1163 -222216.5363 163.0106 -5536.0556 -2842.3154 921491.4634 -5536.0556 -2842.3154
ENERGY: 131 21530.9957 19804.6628 5745.0872 187.0957 -335083.2644 21105.7069 0.0000 0.0000 44221.5103 -222488.2058 160.8657 -266709.7161 -222215.1803 160.8657 -5164.7864 -2872.9597 921491.4634 -5164.7864 -2872.9597
ENERGY: 132 21696.5184 20951.9798 5753.4447 189.2233 -334841.7369 21081.3851 0.0000 0.0000 42732.1267 -222437.0590 155.4477 -265169.1856 -222222.8146 155.4477 -4015.6411 -2856.5554 921491.4634 -4015.6411 -2856.5554
ENERGY: 133 21569.7011 21939.4306 5759.4053 191.1377 -334187.7139 21049.8506 0.0000 0.0000 41346.5715 -222331.6171 150.4075 -263678.1887 -222209.0242 150.4075 -2436.6194 -2806.2333 921491.4634 -2436.6194 -2806.2333
ENERGY: 134 20380.1719 22407.7422 5761.0449 192.4922 -333420.8525 21018.0949 0.0000 0.0000 41320.1609 -222341.1455 150.3114 -263661.3064 -222206.0447 150.3114 -846.9781 -2759.4268 921491.4634 -846.9781 -2759.4268
ENERGY: 135 18735.1491 22221.9401 5757.7067 193.2251 -332860.3440 20999.0422 0.0000 0.0000 42497.1277 -222456.1530 154.5929 -264953.2807 -222204.4870 154.5929 191.9084 -2745.1432 921491.4634 191.9084 -2745.1432
ENERGY: 136 18381.4538 21453.0792 5750.0867 193.4037 -332655.7485 21006.3294 0.0000 0.0000 43348.3540 -222523.0416 157.6894 -265871.3957 -222211.0692 157.6894 198.1852 -2776.3542 921491.4634 198.1852 -2776.3542
ENERGY: 137 19975.5714 20347.8314 5740.3098 193.2572 -332832.5916 21040.1066 0.0000 0.0000 43092.4470 -222443.0681 156.7585 -265535.5151 -222209.8936 156.7585 -927.2501 -2841.0684 921491.4634 -927.2501 -2841.0684
ENERGY: 138 21874.8524 19195.4802 5730.8549 192.8766 -333203.4341 21083.5324 0.0000 0.0000 42784.9640 -222340.8737 155.6399 -265125.8377 -222213.1813 155.6399 -2704.7054 -2927.3525 921491.4634 -2704.7054 -2927.3525
ENERGY: 139 22116.0296 18330.1124 5724.2506 192.4679 -333575.3361 21115.6332 0.0000 0.0000 43705.6790 -222391.1634 158.9892 -266096.8423 -222217.3487 158.9892 -4443.4107 -3015.1528 921491.4634 -4443.4107 -3015.1528
TIMING: 140 CPU: 67.3624, 0.472644/step Wall: 67.3624, 0.472644/step, 0.0472644 hours remaining, 3221.929688 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 17997.1577 5722.1741 192.2140 -333726.9441 21127.4060 0.0000 0.0000 45144.2514 -222551.1431 164.2224 -267695.3946 -222224.0360 164.2224 -5617.7627 -3080.3638 921491.4634 -5617.7627 -3080.3638
ENERGY: 141 20605.2149 18251.9194 5725.3083 192.2642 -333525.1323 21120.3060 0.0000 0.0000 45039.8865 -222590.2330 163.8427 -267630.1195 -222215.3919 163.8427 -6017.5039 -3087.0005 921491.4634 -6017.5039 -3087.0005
ENERGY: 142 21702.7401 18860.4297 5732.9228 192.6003 -332879.0279 21093.2714 0.0000 0.0000 42868.0675 -222428.9961 155.9422 -265297.0636 -222213.3919 155.9422 -5532.0377 -3029.5546 921491.4634 -5532.0377 -3029.5546
ENERGY: 143 22457.6180 19468.7635 5743.5741 193.1827 -331957.5930 21040.0377 0.0000 0.0000 40797.9949 -222256.4222 148.4119 -263054.4171 -222209.6222 148.4119 -4179.8278 -2928.5086 921491.4634 -4179.8278 -2928.5086
ENERGY: 144 21007.3339 19787.0057 5755.2166 193.9151 -331097.8393 20965.2215 0.0000 0.0000 41087.3103 -222301.8363 149.4643 -263389.1466 -222194.0939 149.4643 -2265.2408 -2825.3503 921491.4634 -2265.2408 -2825.3503
ENERGY: 145 18390.7599 19760.7601 5765.7577 194.6436 -330692.1919 20892.9232 0.0000 0.0000 43191.0819 -222496.2654 157.1173 -265687.3473 -222180.9591 157.1173 -495.5028 -2742.5238 921491.4634 -495.5028 -2742.5238
ENERGY: 146 17494.3905 19517.0963 5773.0763 195.1974 -330883.4472 20850.7304 0.0000 0.0000 44468.0627 -222584.8935 161.7626 -267052.9562 -222180.0851 161.7626 380.5833 -2698.3695 921491.4634 380.5833 -2698.3695
ENERGY: 147 19349.0814 19284.4052 5776.1299 195.3841 -331633.2788 20843.7952 0.0000 0.0000 43729.9298 -222454.5533 159.0775 -266184.4831 -222180.7854 159.0775 12.4497 -2697.6200 921491.4634 12.4497 -2697.6200
ENERGY: 148 21731.1608 19240.1451 5775.1361 195.0156 -332748.3458 20852.0477 0.0000 0.0000 42647.1435 -222307.6970 155.1386 -264954.8405 -222173.9040 155.1386 -1313.5161 -2742.2255 921491.4634 -1313.5161 -2742.2255
ENERGY: 149 22154.0981 19476.6232 5771.6403 193.9272 -333952.9655 20853.5363 0.0000 0.0000 43165.2621 -222337.8782 157.0234 -265503.1404 -222149.8010 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 19956.3835 5767.3089 192.0924 -334899.3755 20845.5771 0.0000 0.0000 44606.5899 -222515.5243 162.2665 -267122.1142 -222153.2665 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
ENERGY: 151 20656.1101 20586.9277 5763.7530 189.5631 -335303.4339 20835.7246 0.0000 0.0000 44710.6380 -222560.7174 162.6450 -267271.3554 -222155.1378 162.6450 -5407.8408 -2907.6331 921491.4634 -5407.8408 -2907.6331
ENERGY: 152 21757.0224 21203.4204 5761.8055 186.4838 -335072.1088 20820.7500 0.0000 0.0000 42914.6706 -222427.9560 156.1118 -265342.6266 -222175.0512 156.1118 -5552.0273 -2878.0876 921491.4634 -5552.0273 -2878.0876
ENERGY: 153 22396.4538 21618.6023 5761.5688 183.0547 -334307.6859 20787.1624 0.0000 0.0000 41296.2811 -222264.5628 150.2245 -263560.8440 -222152.0201 150.2245 -4765.4777 -2800.4121 921491.4634 -4765.4777 -2800.4121
ENERGY: 154 20952.1344 21640.3347 5761.9239 179.5647 -333344.9133 20735.3658 0.0000 0.0000 41746.1293 -222329.4605 151.8609 -264075.5898 -222148.7912 151.8609 -3178.1875 -2707.3606 921491.4634 -3178.1875 -2707.3606
ENERGY: 155 18734.5491 21249.5940 5761.4992 176.3183 -332564.0953 20691.4723 0.0000 0.0000 43448.4575 -222502.2048 158.0535 -265950.6623 -222145.9851 158.0535 -1408.3063 -2623.9032 921491.4634 -1408.3063 -2623.9032
ENERGY: 156 18312.4483 20599.9073 5758.8570 173.6449 -332218.9145 20684.3829 0.0000 0.0000 44137.5523 -222552.1217 160.5603 -266689.6741 -222166.8046 160.5603 -219.5095 -2571.5313 921491.4634 -219.5095 -2571.5313
ENERGY: 157 20043.0836 19943.2665 5753.0946 171.8900 -332363.0656 20715.7864 0.0000 0.0000 43325.6935 -222410.2509 157.6070 -265735.9444 -222155.5008 157.6070 -38.8542 -2554.7665 921491.4634 -38.8542 -2554.7665
ENERGY: 158 21695.0845 19425.3238 5743.5666 171.3409 -332829.8099 20761.5805 0.0000 0.0000 42713.6822 -222319.2314 155.3806 -265032.9136 -222157.3219 155.3806 -715.5934 -2586.7969 921491.4634 -715.5934 -2586.7969
ENERGY: 159 21695.6535 19084.6408 5730.9315 172.1899 -333376.4004 20800.7929 0.0000 0.0000 43483.6006 -222408.5911 158.1814 -265892.1917 -222160.0968 158.1814 -1882.1012 -2660.7875 921491.4634 -1882.1012 -2660.7875
TIMING: 160 CPU: 76.8019, 0.471977/step Wall: 76.8019, 0.471977/step, 0.0445756 hours remaining, 3222.070312 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 18859.3045 5717.0749 174.4915 -333735.9152 20833.5471 0.0000 0.0000 44515.8598 -222542.3531 161.9365 -267058.2128 -222175.6784 161.9365 -3202.8706 -2752.7604 921491.4634 -3202.8706 -2752.7604
ENERGY: 161 21561.6003 18685.5959 5704.9781 178.2042 -333710.7595 20865.7132 0.0000 0.0000 44220.7114 -222493.9564 160.8628 -266714.6678 -222160.9736 160.8628 -4385.1103 -2823.4851 921491.4634 -4385.1103 -2823.4851
ENERGY: 162 22512.8126 18508.1492 5697.2826 183.0024 -333202.6495 20887.8856 0.0000 0.0000 43070.6068 -222342.9102 156.6790 -265413.5170 -222161.4904 156.6790 -5004.1556 -2859.8871 921491.4634 -5004.1556 -2859.8871
ENERGY: 163 21937.9853 18346.8656 5696.1509 188.4544 -332368.8222 20884.6195 0.0000 0.0000 43005.6962 -222309.0503 156.4429 -265314.7464 -222160.7799 156.4429 -4776.8221 -2868.7270 921491.4634 -4776.8221 -2868.7270
ENERGY: 164 19652.8066 18261.0400 5702.5306 194.0206 -331567.4466 20861.9109 0.0000 0.0000 44426.5344 -222468.6036 161.6115 -266895.1380 -222170.9031 161.6115 -3836.1733 -2870.4448 921491.4634 -3836.1733 -2870.4448
ENERGY: 165 18074.0951 18343.8150 5716.1638 199.2019 -331183.0462 20849.6742 0.0000 0.0000 45425.8564 -222574.2398 165.2468 -268000.0962 -222153.1695 165.2468 -2737.5185 -2867.1446 921491.4634 -2737.5185 -2867.1446
ENERGY: 166 18979.7068 18650.1654 5734.9735 203.3281 -331407.0998 20870.8939 0.0000 0.0000 44483.6889 -222484.3432 161.8194 -266968.0322 -222151.2324 161.8194 -1964.3634 -2870.3839 921491.4634 -1964.3634 -2870.3839
ENERGY: 167 21026.8305 19216.2867 5755.9248 205.8794 -332212.1856 20917.6388 0.0000 0.0000 42775.8062 -222313.8193 155.6066 -265089.6255 -222150.5295 155.6066 -1671.2497 -2889.5868 921491.4634 -1671.2497 -2889.5868
ENERGY: 168 21619.4180 19999.6889 5775.3367 206.4584 -333382.4923 20963.4338 0.0000 0.0000 42492.3351 -222325.8215 154.5754 -264818.1566 -222149.7706 154.5754 -1735.9903 -2933.5976 921491.4634 -1735.9903 -2933.5976
ENERGY: 169 20648.4664 20870.4069 5789.9166 204.9287 -334596.5068 20994.5722 0.0000 0.0000 43600.1910 -222488.0249 158.6055 -266088.2160 -222133.5313 158.6055 -2095.8775 -2988.7947 921491.4634 -2095.8775 -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 20485.0014 21574.3801 5797.0542 201.1981 -335480.2500 21017.8094 0.0000 0.0000 43834.2689 -222570.5380 159.4570 -266404.8069 -222135.2418 159.4570 -2696.1966 -3030.4960 921491.4634 -2696.1966 -3030.4960
ENERGY: 171 22225.3641 21884.1727 5796.1347 195.5169 -335757.0014 21036.7487 0.0000 0.0000 42205.8540 -222413.2102 153.5333 -264619.0642 -222135.5890 153.5333 -3373.1626 -3035.3578 921491.4634 -3373.1626 -3035.3578
ENERGY: 172 23612.5242 21689.2905 5788.4217 188.3823 -335345.7508 21036.2039 0.0000 0.0000 40787.7257 -222243.2025 148.3745 -263030.9282 -222132.3041 148.3745 -3754.4380 -3004.4813 921491.4634 -3754.4380 -3004.4813
ENERGY: 173 22089.5493 21081.4672 5776.7002 180.5475 -334414.6778 21003.0505 0.0000 0.0000 41986.3986 -222296.9646 152.7350 -264283.3631 -222121.1460 152.7350 -3608.5987 -2944.3814 921491.4634 -3608.5987 -2944.3814
ENERGY: 174 18699.8473 20250.6917 5763.7521 172.7179 -333314.9341 20954.5022 0.0000 0.0000 44924.4953 -222548.9277 163.4230 -267473.4230 -222120.6678 163.4230 -3086.0088 -2871.4631 921491.4634 -3086.0088 -2871.4631
ENERGY: 175 17219.9375 19455.5735 5752.1494 165.6559 -332464.6995 20928.3117 0.0000 0.0000 46291.0145 -222652.0569 168.3940 -268943.0714 -222120.1885 168.3940 -2676.4055 -2794.4451 921491.4634 -2676.4055 -2794.4451
ENERGY: 176 19195.1037 18891.7629 5743.5896 160.0071 -332124.2125 20943.2095 0.0000 0.0000 44722.5121 -222468.0276 162.6882 -267190.5397 -222127.3367 162.6882 -2658.3220 -2727.5044 921491.4634 -2658.3220 -2727.5044
ENERGY: 177 21863.3194 18664.1734 5738.9484 156.2659 -332371.2408 20981.6518 0.0000 0.0000 42714.2626 -222252.6194 155.3827 -264966.8819 -222125.5134 155.3827 -2870.6844 -2681.8089 921491.4634 -2870.6844 -2681.8089
ENERGY: 178 21917.7898 18733.9558 5737.6245 154.5770 -332975.2971 21015.2132 0.0000 0.0000 43101.1545 -222314.9822 156.7902 -265416.1368 -222126.1319 156.7902 -2936.2254 -2665.7682 921491.4634 -2936.2254 -2665.7682
ENERGY: 179 20058.5719 19018.0838 5738.2698 154.9022 -333648.1814 21038.3003 0.0000 0.0000 45070.9165 -222569.1370 163.9556 -267640.0535 -222127.1791 163.9556 -2805.2706 -2668.3444 921491.4634 -2805.2706 -2668.3444
TIMING: 180 CPU: 86.2303, 0.471418/step Wall: 86.2303, 0.471418/step, 0.0419038 hours remaining, 3222.070312 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 19384.7963 5738.8341 156.9935 -334084.3522 21065.2916 0.0000 0.0000 45324.2214 -222643.9211 164.8771 -267968.1425 -222142.6343 164.8771 -2684.8628 -2671.3561 921491.4634 -2684.8628 -2671.3561
ENERGY: 181 22122.8095 19693.8082 5737.3498 160.4696 -334134.1966 21097.1422 0.0000 0.0000 42906.0429 -222416.5745 156.0804 -265322.6174 -222134.4681 156.0804 -2655.0378 -2656.7563 921491.4634 -2655.0378 -2656.7563
ENERGY: 182 23922.3458 19800.0772 5732.0748 164.8150 -333691.2983 21109.5293 0.0000 0.0000 40770.0179 -222192.4383 148.3101 -262962.4562 -222132.7634 148.3101 -2461.5988 -2635.7203 921491.4634 -2461.5988 -2635.7203
ENERGY: 183 22149.3488 19677.1534 5722.7616 169.5349 -332921.8737 21084.4911 0.0000 0.0000 41834.8234 -222283.7606 152.1836 -264118.5840 -222131.2589 152.1836 -1990.8048 -2626.5158 921491.4634 -1990.8048 -2626.5158
ENERGY: 184 18376.8757 19424.9915 5710.5469 174.1844 -332181.9082 21042.4479 0.0000 0.0000 44880.5527 -222572.3091 163.2631 -267452.8618 -222144.6143 163.2631 -1576.6178 -2645.2274 921491.4634 -1576.6178 -2645.2274
ENERGY: 185 16957.7744 19234.6873 5697.7241 178.4155 -331895.6963 21023.9443 0.0000 0.0000 46149.4988 -222653.6519 167.8792 -268803.1507 -222128.1657 167.8792 -1752.9884 -2679.2077 921491.4634 -1752.9884 -2679.2077
ENERGY: 186 19266.0404 19234.9571 5686.4352 181.9571 -332240.0938 21043.7459 0.0000 0.0000 44391.5888 -222435.3692 161.4844 -266826.9580 -222129.2888 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2966 19471.4304 5678.7398 184.6336 -333156.1127 21076.9264 0.0000 0.0000 42449.0057 -222222.0802 154.4178 -264671.0859 -222130.9080 154.4178 -3641.8535 -2802.0867 921491.4634 -3641.8535 -2802.0867
ENERGY: 188 22101.1829 19886.6774 5676.0120 186.3502 -334382.7608 21093.9044 0.0000 0.0000 43113.1616 -222325.4724 156.8338 -265438.6340 -222135.3906 156.8338 -4316.2653 -2887.0591 921491.4634 -4316.2653 -2887.0591
ENERGY: 189 20394.2461 20391.8602 5678.8863 187.1154 -335558.5038 21096.5840 0.0000 0.0000 45245.6388 -222564.1729 164.5912 -267809.8117 -222116.4321 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 20342.0726 20848.4449 5686.3598 187.0164 -336318.7430 21106.5487 0.0000 0.0000 45533.2634 -222615.0372 165.6375 -268148.3007 -222116.1588 165.6375 -4141.9210 -2962.8210 921491.4634 -4141.9210 -2962.8210
ENERGY: 191 22534.8506 21157.2827 5696.5257 186.2614 -336419.5249 21124.8644 0.0000 0.0000 43330.7336 -222389.0065 157.6253 -265719.7401 -222114.1138 157.6253 -3471.5977 -2915.5481 921491.4634 -3471.5977 -2915.5481
ENERGY: 192 23768.4832 21244.3748 5706.8010 185.1520 -335814.4793 21125.1403 0.0000 0.0000 41560.2537 -222224.2742 151.1848 -263784.5279 -222108.6419 151.1848 -2412.4657 -2830.7903 921491.4634 -2412.4657 -2830.7903
ENERGY: 193 21710.8596 21097.1073 5714.9848 184.0569 -334711.3259 21092.9042 0.0000 0.0000 42578.8349 -222332.5783 154.8901 -264911.4132 -222093.8904 154.8901 -1181.4696 -2735.1546 921491.4634 -1181.4696 -2735.1546
ENERGY: 194 18383.3650 20711.5281 5719.3482 183.2863 -333492.4632 21054.1040 0.0000 0.0000 44867.8137 -222573.0180 163.2168 -267440.8317 -222092.1689 163.2168 -314.8317 -2651.4482 921491.4634 -314.8317 -2651.4482
ENERGY: 195 17581.7011 20169.9815 5719.7968 183.0839 -332603.8308 21048.2209 0.0000 0.0000 45307.7486 -222593.2981 164.8171 -267901.0467 -222091.6062 164.8171 -398.0879 -2592.7756 921491.4634 -398.0879 -2592.7756
ENERGY: 196 19755.8661 19594.9319 5717.4229 183.5644 -332319.6948 21082.8578 0.0000 0.0000 43603.6156 -222381.4361 158.6180 -265985.0517 -222096.3127 158.6180 -1480.5940 -2574.8092 921491.4634 -1480.5940 -2574.8092
ENERGY: 197 21700.3669 19122.7579 5714.1451 184.7200 -332668.2728 21129.4587 0.0000 0.0000 42574.3655 -222242.4587 154.8738 -264816.8242 -222086.7180 154.8738 -3040.7436 -2596.5494 921491.4634 -3040.7436 -2596.5494
ENERGY: 198 21224.0059 18800.3005 5711.3574 186.3640 -333385.4994 21161.1533 0.0000 0.0000 43911.2864 -222391.0320 159.7372 -266302.3184 -222090.4391 159.7372 -4381.6807 -2646.7679 921491.4634 -4381.6807 -2646.7679
ENERGY: 199 20113.4047 18634.4039 5710.3429 188.2374 -334151.8584 21182.1776 0.0000 0.0000 45722.9589 -222600.3330 166.3276 -268323.2919 -222093.2751 166.3276 -5152.2284 -2691.5412 921491.4634 -5152.2284 -2691.5412
LDB: ============= START OF LOAD BALANCING ============== 101.745
LDB: Largest compute 200 load 0.430668 is 1.2% of average load 36.641273
LDB: Average compute 0.051319 is 0.1% of average load 36.641273
LDB: TIME 101.747 LOAD: AVG 36.6413 MAX 37.7505 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.48 MB
LDB: TIME 101.749 LOAD: AVG 36.6413 MAX 37.5067 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.48 MB
LDB: ============== END OF LOAD BALANCING =============== 101.751
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.755
Info: Initial time: 4 CPUs 0.472016 s/step 5.46315 days/ns 3223.21 MB memory
TIMING: 200 CPU: 95.6668, 0.471825/step Wall: 95.6668, 0.471825/step, 0.0393187 hours remaining, 3223.210938 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6836 18595.6349 5711.8747 190.0258 -334670.2805 21209.9247 0.0000 0.0000 45319.1601 -222569.9768 164.8586 -267889.1368 -222114.5240 164.8586 -5241.8523 -2703.6811 921491.4634 -5241.8523 -2703.6811
ENERGY: 201 23380.1030 18674.3333 5716.2802 191.4188 -334751.7126 21239.1339 0.0000 0.0000 43222.4695 -222327.9738 157.2315 -265550.4432 -222100.1074 157.2315 -4546.2003 -2661.1899 921491.4634 -4546.2003 -2661.1899
ENERGY: 202 23622.8118 18850.8450 5722.5980 192.1474 -334305.3002 21243.2751 0.0000 0.0000 42432.5587 -222241.0643 154.3580 -264673.6230 -222096.8286 154.3580 -3005.0518 -2588.0012 921491.4634 -3005.0518 -2588.0012
ENERGY: 203 20743.8946 19130.0390 5729.2400 192.0764 -333501.9369 21215.8253 0.0000 0.0000 44059.6986 -222431.1630 160.2771 -266490.8616 -222093.6423 160.2771 -1046.8258 -2512.4434 921491.4634 -1046.8258 -2512.4434
ENERGY: 204 17862.6125 19486.9556 5734.1463 191.2124 -332722.2198 21188.8401 0.0000 0.0000 45629.4720 -222628.9809 165.9875 -268258.4529 -222116.7001 165.9875 452.9932 -2462.2929 921491.4634 452.9932 -2462.2929
ENERGY: 205 18189.0790 19868.9414 5735.7153 189.6741 -332398.2549 21197.9184 0.0000 0.0000 44690.7150 -222526.2116 162.5725 -267216.9266 -222099.8060 162.5725 731.8535 -2447.6353 921491.4634 731.8535 -2447.6353
ENERGY: 206 20668.8901 20170.9986 5732.9811 187.6404 -332716.3432 21241.8390 0.0000 0.0000 42439.0585 -222274.9356 154.3816 -264713.9941 -222100.3397 154.3816 -230.6568 -2488.2937 921491.4634 -230.6568 -2488.2937
ENERGY: 207 21693.8031 20338.2891 5726.5434 185.3060 -333603.9789 21289.9000 0.0000 0.0000 42143.6914 -222226.4458 153.3072 -264370.1373 -222103.0932 153.3072 -1896.3477 -2585.9683 921491.4634 -1896.3477 -2585.9683
ENERGY: 208 20293.2702 20371.8904 5718.1572 182.8654 -334789.2375 21322.2409 0.0000 0.0000 44428.6271 -222472.1864 161.6191 -266900.8135 -222122.6313 161.6191 -3669.0642 -2719.7953 921491.4634 -3669.0642 -2719.7953
ENERGY: 209 19428.8170 20325.0060 5710.3389 180.5135 -335910.2412 21349.5043 0.0000 0.0000 46273.6802 -222642.3814 168.3309 -268916.0615 -222106.7899 168.3309 -5197.7274 -2836.6307 921491.4634 -5197.7274 -2836.6307
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1735 20194.2570 5705.3139 178.4614 -336615.7768 21385.1095 0.0000 0.0000 45251.4335 -222516.0280 164.6123 -267767.4615 -222108.2014 164.6123 -6091.3663 -2896.2628 921491.4634 -6091.3663 -2896.2628
ENERGY: 211 24099.1929 19985.8633 5704.9373 176.9105 -336667.8927 21415.1476 0.0000 0.0000 43031.7285 -222254.1126 156.5376 -265285.8412 -222106.8539 156.5376 -5900.2979 -2885.1011 921491.4634 -5900.2979 -2885.1011
ENERGY: 212 23739.2711 19730.8223 5710.0295 176.0352 -336013.6228 21412.5982 0.0000 0.0000 42995.1638 -222249.7026 156.4046 -265244.8664 -222104.2318 156.4046 -4424.1004 -2820.3211 921491.4634 -4424.1004 -2820.3211
ENERGY: 213 20150.2161 19524.5249 5720.1722 175.9508 -334874.6444 21380.5551 0.0000 0.0000 45418.7806 -222504.4447 165.2210 -267923.2253 -222097.3834 165.2210 -2174.3119 -2725.0841 921491.4634 -2174.3119 -2725.0841
ENERGY: 214 17315.5529 19421.7448 5733.3059 176.6827 -333645.3935 21358.4484 0.0000 0.0000 46958.4703 -222681.1885 170.8220 -269639.6588 -222093.7407 170.8220 -143.6686 -2626.0578 921491.4634 -143.6686 -2626.0578
ENERGY: 215 18210.5055 19441.9743 5746.5772 178.1492 -332787.3320 21379.5595 0.0000 0.0000 45302.6747 -222527.8916 164.7987 -267830.5663 -222091.0447 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4716 19522.5061 5756.9571 180.1770 -332560.1057 21436.4835 0.0000 0.0000 42442.1788 -222248.3316 154.3930 -264690.5104 -222073.6154 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3866 19581.4819 5762.2416 182.5517 -333010.6753 21497.2705 0.0000 0.0000 41983.6750 -222225.0680 152.7251 -264208.7430 -222064.4462 152.7251 -882.1698 -2598.7243 921491.4634 -882.1698 -2598.7243
ENERGY: 218 20165.9156 19540.0890 5761.2415 184.9927 -333856.1142 21546.6560 0.0000 0.0000 44178.6836 -222478.5358 160.7099 -266657.2194 -222068.8153 160.7099 -2628.0651 -2703.9746 921491.4634 -2628.0651 -2703.9746
ENERGY: 219 19429.8640 19413.3931 5754.3577 187.2447 -334778.0705 21596.8808 0.0000 0.0000 45751.9297 -222644.4005 166.4329 -268396.3302 -222073.1717 166.4329 -4457.7332 -2810.5237 921491.4634 -4457.7332 -2810.5237
TIMING: 220 CPU: 105.108, 0.472062/step Wall: 105.108, 0.472062/step, 0.0367159 hours remaining, 3223.210938 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 21580.9145 19260.1136 5743.1672 189.1021 -335473.8429 21655.3184 0.0000 0.0000 44539.5738 -222505.6534 162.0227 -267045.2272 -222092.6288 162.0227 -5898.3511 -2876.6576 921491.4634 -5898.3511 -2876.6576
ENERGY: 221 24234.7393 19146.8278 5730.1601 190.4777 -335718.7273 21699.4244 0.0000 0.0000 42467.0188 -222250.0792 154.4833 -264717.0980 -222077.7834 154.4833 -6342.7098 -2884.3552 921491.4634 -6342.7098 -2884.3552
ENERGY: 222 23735.1225 19085.7307 5717.7679 191.2893 -335388.9913 21700.3076 0.0000 0.0000 42702.0389 -222256.7342 155.3383 -264958.7731 -222075.6637 155.3383 -5368.7280 -2838.7016 921491.4634 -5368.7280 -2838.7016
ENERGY: 223 20286.4337 19110.8426 5708.3528 191.5579 -334633.3912 21665.5242 0.0000 0.0000 45168.7533 -222501.9269 164.3115 -267670.6801 -222072.2456 164.3115 -3322.8077 -2753.9474 921491.4634 -3322.8077 -2753.9474
ENERGY: 224 17721.9818 19276.3017 5703.4616 191.3517 -333831.1558 21637.4892 0.0000 0.0000 46650.8782 -222649.6916 169.7031 -269300.5698 -222098.2845 169.7031 -1151.0970 -2650.6854 921491.4634 -1151.0970 -2650.6854
ENERGY: 225 18451.5608 19639.7348 5703.5482 190.8347 -333424.4647 21647.4588 0.0000 0.0000 45301.5807 -222489.7467 164.7947 -267791.3274 -222079.9378 164.7947 226.2573 -2563.9720 921491.4634 226.2573 -2563.9720
ENERGY: 226 20569.7731 20147.6375 5707.2430 190.0457 -333606.5693 21686.9380 0.0000 0.0000 43034.1678 -222270.7642 156.5465 -265304.9320 -222078.6802 156.5465 530.9034 -2526.3323 921491.4634 530.9034 -2526.3323
ENERGY: 227 21011.1675 20670.4533 5712.3895 189.0770 -334317.7219 21728.2283 0.0000 0.0000 42721.7945 -222284.6118 155.4101 -265006.4063 -222080.2096 155.4101 -104.6488 -2553.6074 921491.4634 -104.6488 -2553.6074
ENERGY: 228 19866.2927 21035.8346 5716.6482 188.0081 -335312.4264 21761.2923 0.0000 0.0000 44242.5386 -222501.8120 160.9422 -266744.3506 -222102.7889 160.9422 -1440.0181 -2625.9673 921491.4634 -1440.0181 -2625.9673
ENERGY: 229 19874.0813 21137.5589 5718.5477 187.0043 -336264.4466 21796.8119 0.0000 0.0000 44976.5837 -222573.8587 163.6125 -267550.4424 -222086.0486 163.6125 -3234.4608 -2710.7215 921491.4634 -3234.4608 -2710.7215
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 230 21999.2457 20926.2539 5717.1889 185.9786 -336838.6563 21834.6450 0.0000 0.0000 43751.0553 -222424.2890 159.1543 -266175.3442 -222088.6905 159.1543 -4902.3781 -2766.0557 921491.4634 -4902.3781 -2766.0557
ENERGY: 231 23806.6620 20470.3274 5713.0793 184.9073 -336794.0751 21849.7233 0.0000 0.0000 42506.4015 -222262.9743 154.6266 -264769.3758 -222089.4818 154.6266 -5730.6843 -2773.7615 921491.4634 -5730.6843 -2773.7615
ENERGY: 232 22812.6532 19886.6602 5707.7133 183.7520 -336072.1015 21820.0135 0.0000 0.0000 43315.5695 -222345.7399 157.5701 -265661.3093 -222098.2752 157.5701 -5301.5938 -2731.4986 921491.4634 -5301.5938 -2731.4986
ENERGY: 233 20035.6405 19318.2043 5703.4910 182.6157 -334889.2830 21760.7375 0.0000 0.0000 45350.0990 -222538.4950 164.9712 -267888.5940 -222089.6819 164.9712 -3899.2118 -2646.7386 921491.4634 -3899.2118 -2646.7386
ENERGY: 234 18553.6066 18856.0075 5702.3325 181.3395 -333642.4871 21712.9298 0.0000 0.0000 46049.0875 -222587.1837 167.5139 -268636.2712 -222086.3327 167.5139 -2187.7193 -2534.9736 921491.4634 -2187.7193 -2534.9736
ENERGY: 235 19419.0965 18603.4160 5705.8180 179.9133 -332789.1747 21702.6095 0.0000 0.0000 44750.4959 -222427.8254 162.7900 -267178.3214 -222083.1201 162.7900 -820.1736 -2429.4348 921491.4634 -820.1736 -2429.4348
ENERGY: 236 20566.0777 18629.1000 5714.2865 178.3391 -332585.8844 21721.5011 0.0000 0.0000 43477.4014 -222299.1786 158.1588 -265776.5800 -222073.0117 158.1588 -108.6481 -2371.7044 921491.4634 -108.6481 -2371.7044
ENERGY: 237 20196.0057 18940.2030 5726.8243 176.7459 -333068.3182 21749.0155 0.0000 0.0000 43898.3780 -222381.1458 159.6902 -266279.5238 -222063.3603 159.6902 -172.1586 -2373.2012 921491.4634 -172.1586 -2373.2012
ENERGY: 238 19419.4412 19404.0884 5740.6977 175.0128 -333964.3147 21778.9042 0.0000 0.0000 44901.2437 -222544.9268 163.3384 -267446.1705 -222065.9776 163.3384 -987.6011 -2425.5310 921491.4634 -987.6011 -2425.5310
ENERGY: 239 20428.8616 19846.5440 5752.8836 173.1946 -334966.8374 21816.7508 0.0000 0.0000 44416.4633 -222532.1395 161.5749 -266948.6029 -222068.9823 161.5749 -2385.1780 -2499.0796 921491.4634 -2385.1780 -2499.0796
TIMING: 240 CPU: 114.54, 0.471606/step Wall: 114.54, 0.471606/step, 0.0340604 hours remaining, 3223.210938 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 240 22861.0421 20119.9135 5760.6910 171.4213 -335766.3623 21854.4252 0.0000 0.0000 42641.4775 -222357.3919 155.1180 -264998.8694 -222074.0953 155.1180 -3844.9085 -2568.3896 921491.4634 -3844.9085 -2568.3896
ENERGY: 241 23920.0054 20195.4872 5762.7124 169.9828 -336129.3250 21865.1031 0.0000 0.0000 41957.8934 -222258.1407 152.6313 -264216.0341 -222063.9158 152.6313 -4724.4493 -2616.3453 921491.4634 -4724.4493 -2616.3453
ENERGY: 242 22110.7717 20111.8208 5758.5348 169.0441 -335904.8194 21831.0566 0.0000 0.0000 43526.8719 -222396.7195 158.3388 -265923.5914 -222063.5736 158.3388 -4623.1690 -2633.0913 921491.4634 -4623.1690 -2633.0913
ENERGY: 243 19462.3621 19969.6445 5749.3614 168.8705 -335233.7066 21770.4747 0.0000 0.0000 45537.0690 -222575.9245 165.6513 -268112.9935 -222061.6674 165.6513 -3760.4507 -2614.6992 921491.4634 -3760.4507 -2614.6992
ENERGY: 244 18822.2465 19849.3934 5737.4544 169.6534 -334482.6006 21720.5675 0.0000 0.0000 45629.1662 -222554.1192 165.9864 -268183.2854 -222078.7768 165.9864 -2667.7299 -2573.2149 921491.4634 -2667.7299 -2573.2149
ENERGY: 245 20148.2369 19811.7599 5725.7785 171.4559 -334087.5942 21701.2469 0.0000 0.0000 44168.5247 -222360.5915 160.6730 -266529.1162 -222068.6363 160.6730 -1771.6901 -2533.5454 921491.4634 -1771.6901 -2533.5454
ENERGY: 246 20878.5481 19853.7025 5716.8932 174.1558 -334213.1202 21705.0849 0.0000 0.0000 43600.4181 -222284.3175 158.6063 -265884.7356 -222067.4293 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5286 19979.6441 5712.7400 177.5412 -334802.1838 21719.8453 0.0000 0.0000 44912.1911 -222431.6934 163.3782 -267343.8845 -222068.1391 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4924 20164.4298 5713.8450 181.3144 -335623.1350 21746.4310 0.0000 0.0000 46185.9362 -222595.6863 168.0117 -268781.6225 -222090.3125 168.0117 -1359.1246 -2608.3066 921491.4634 -1359.1246 -2608.3066
ENERGY: 249 20484.3305 20353.6195 5719.1623 185.0800 -336433.0064 21788.9032 0.0000 0.0000 45370.8152 -222531.0957 165.0466 -267901.9109 -222082.9709 165.0466 -2308.0286 -2671.2386 921491.4634 -2308.0286 -2671.2386
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 250 23155.2057 20422.5257 5726.1009 188.5682 -336907.4408 21832.9288 0.0000 0.0000 43252.1659 -222329.9455 157.3395 -265582.1114 -222084.2876 157.3395 -3365.2095 -2722.3880 921491.4634 -3365.2095 -2722.3880
ENERGY: 251 24002.1399 20302.5996 5731.6573 191.5295 -336816.8447 21849.8672 0.0000 0.0000 42475.2393 -222263.8119 154.5132 -264739.0512 -222084.8988 154.5132 -3958.0340 -2753.0724 921491.4634 -3958.0340 -2753.0724
ENERGY: 252 21994.9043 20013.1599 5733.2541 193.8023 -336093.2675 21826.9294 0.0000 0.0000 43905.3722 -222425.8454 159.7157 -266331.2175 -222091.3302 159.7157 -3843.4683 -2758.0339 921491.4634 -3843.4683 -2758.0339
ENERGY: 253 19499.8638 19667.1121 5729.5496 195.2411 -334977.1805 21784.0536 0.0000 0.0000 45520.0194 -222581.3409 165.5893 -268101.3603 -222082.7203 165.5893 -3300.1274 -2735.8132 921491.4634 -3300.1274 -2735.8132
ENERGY: 254 19073.0883 19348.2295 5720.5008 195.9622 -333839.8796 21752.6523 0.0000 0.0000 45220.9196 -222528.5269 164.5013 -267749.4466 -222080.4683 164.5013 -2707.1338 -2696.1701 921491.4634 -2707.1338 -2696.1701
ENERGY: 255 20324.2312 19109.4101 5707.6062 196.0620 -333099.9231 21746.1514 0.0000 0.0000 43667.4213 -222349.0408 158.8501 -266016.4620 -222078.3973 158.8501 -2282.5425 -2662.7814 921491.4634 -2282.5425 -2662.7814
ENERGY: 256 20899.4410 18950.9577 5693.4518 195.6570 -332975.5970 21757.6847 0.0000 0.0000 43181.1613 -222297.2436 157.0812 -265478.4049 -222071.2737 157.0812 -2042.2408 -2664.5199 921491.4634 -2042.2408 -2664.5199
ENERGY: 257 20029.5653 18878.1873 5681.1759 194.7976 -333481.0037 21780.2418 0.0000 0.0000 44488.5470 -222428.4888 161.8371 -266917.0358 -222060.1681 161.8371 -2035.5361 -2692.1442 921491.4634 -2035.5361 -2692.1442
ENERGY: 258 19453.5866 18882.0666 5673.2911 193.6684 -334373.1542 21817.5077 0.0000 0.0000 45796.2580 -222556.7760 166.5942 -268353.0339 -222062.0606 166.5942 -2331.2327 -2737.1919 921491.4634 -2331.2327 -2737.1919
ENERGY: 259 20717.7708 18984.1028 5671.3007 192.3773 -335369.5275 21871.0065 0.0000 0.0000 45431.1557 -222501.8136 165.2661 -267932.9693 -222063.7304 165.2661 -2890.3669 -2780.4961 921491.4634 -2890.3669 -2780.4961
TIMING: 260 CPU: 123.96, 0.471009/step Wall: 123.96, 0.471009/step, 0.0314006 hours remaining, 3223.562500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 260 22744.9543 19188.2462 5675.1875 191.0393 -336169.7728 21924.7892 0.0000 0.0000 44083.4307 -222362.1256 160.3634 -266445.5562 -222069.6812 160.3634 -3407.4793 -2810.9878 921491.4634 -3407.4793 -2810.9878
ENERGY: 261 23215.5573 19485.4654 5683.6413 189.7700 -336523.9800 21953.3901 0.0000 0.0000 43676.0235 -222320.1323 158.8814 -265996.1558 -222052.8236 158.8814 -3555.3695 -2822.8648 921491.4634 -3555.3695 -2822.8648
ENERGY: 262 21606.2725 19814.6777 5694.0656 188.7122 -336291.7860 21947.6073 0.0000 0.0000 44601.6348 -222438.8160 162.2485 -267040.4508 -222052.4323 162.2485 -3214.7561 -2810.4637 921491.4634 -3214.7561 -2810.4637
ENERGY: 263 19781.1229 20140.5622 5703.8103 187.9445 -335614.9714 21924.4739 0.0000 0.0000 45349.7772 -222527.2804 164.9700 -267877.0576 -222051.1547 164.9700 -2647.8116 -2773.3903 921491.4634 -2647.8116 -2773.3903
ENERGY: 264 19385.2261 20436.4306 5710.6950 187.5052 -334855.9511 21907.7771 0.0000 0.0000 44751.4784 -222476.8386 162.7936 -267228.3170 -222069.1981 162.7936 -2191.1927 -2723.5294 921491.4634 -2191.1927 -2723.5294
ENERGY: 265 19946.8416 20681.9926 5713.6241 187.4392 -334395.6631 21906.0162 0.0000 0.0000 43607.6374 -222352.1118 158.6326 -265959.7492 -222054.3369 158.6326 -2038.0573 -2683.6035 921491.4634 -2038.0573 -2683.6035
ENERGY: 266 20048.7899 20788.8701 5712.1327 187.6137 -334399.4575 21914.4804 0.0000 0.0000 43399.3797 -222348.1909 157.8750 -265747.5706 -222054.3632 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0905 20691.2679 5707.0583 187.8501 -334831.4853 21930.8373 0.0000 0.0000 44220.2169 -222446.1643 160.8610 -266666.3812 -222055.6582 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9160 20375.7516 5700.1930 187.9286 -335513.7448 21959.1256 0.0000 0.0000 44823.5378 -222504.2923 163.0557 -267327.8300 -222075.9873 163.0557 -2903.2124 -2658.6181 921491.4634 -2903.2124 -2658.6181
ENERGY: 269 21396.7813 19927.1702 5694.0390 187.7639 -336221.0661 21997.2160 0.0000 0.0000 44586.5100 -222431.5856 162.1935 -267018.0956 -222066.1971 162.1935 -3401.4128 -2647.2950 921491.4634 -3401.4128 -2647.2950
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1934 19450.9167 5690.3173 187.1618 -336650.6774 22028.8070 0.0000 0.0000 44308.0076 -222365.2736 161.1804 -266673.2812 -222067.0432 161.1804 -3583.3634 -2617.7583 921491.4634 -3583.3634 -2617.7583
ENERGY: 271 22345.5824 19078.8065 5690.0209 186.1610 -336571.7892 22035.2500 0.0000 0.0000 44829.4474 -222406.5210 163.0772 -267235.9684 -222066.8384 163.0772 -3261.2175 -2569.2622 921491.4634 -3261.2175 -2569.2622
ENERGY: 272 21021.5585 18896.0661 5692.8269 184.9335 -335921.4613 22015.0579 0.0000 0.0000 45607.7077 -222503.3107 165.9083 -268111.0184 -222081.1568 165.9083 -2551.9685 -2501.8805 921491.4634 -2551.9685 -2501.8805
ENERGY: 273 20123.2137 18932.9080 5697.5118 183.8526 -334925.7011 21985.5295 0.0000 0.0000 45502.7162 -222499.9692 165.5264 -268002.6854 -222069.0455 165.5264 -1837.1977 -2434.6760 921491.4634 -1837.1977 -2434.6760
ENERGY: 274 20074.7418 19121.4862 5701.6806 183.0070 -333931.6255 21965.2976 0.0000 0.0000 44478.5176 -222406.8948 161.8006 -266885.4124 -222066.8025 161.8006 -1366.5214 -2384.6634 921491.4634 -1366.5214 -2384.6634
ENERGY: 275 20005.4318 19374.0680 5703.3424 182.5376 -333318.5600 21960.8299 0.0000 0.0000 43741.9683 -222350.3821 159.1213 -266092.3503 -222065.7689 159.1213 -1269.7931 -2374.8869 921491.4634 -1269.7931 -2374.8869
ENERGY: 276 19401.8502 19594.7508 5701.2547 182.4904 -333292.1276 21971.0409 0.0000 0.0000 44028.5272 -222412.2135 160.1637 -266440.7407 -222072.9390 160.1637 -1580.1299 -2417.6040 921491.4634 -1580.1299 -2417.6040
ENERGY: 277 19149.2971 19724.7160 5695.5210 182.9396 -333864.3448 21997.2386 0.0000 0.0000 44632.8113 -222481.8213 162.3619 -267114.6325 -222061.0983 162.3619 -2311.7543 -2498.0545 921491.4634 -2311.7543 -2498.0545
ENERGY: 278 20199.4576 19713.7759 5686.9122 183.6585 -334821.0998 22041.3358 0.0000 0.0000 44532.2541 -222463.7056 161.9961 -266995.9597 -222063.4126 161.9961 -3254.8155 -2593.7696 921491.4634 -3254.8155 -2593.7696
ENERGY: 279 21984.3649 19593.9431 5677.5176 184.5187 -335888.5795 22096.4198 0.0000 0.0000 43975.0880 -222376.7274 159.9693 -266351.8154 -222065.2018 159.9693 -4044.3212 -2682.8389 921491.4634 -4044.3212 -2682.8389
TIMING: 280 CPU: 133.374, 0.470671/step Wall: 133.374, 0.470671/step, 0.0287633 hours remaining, 3223.562500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 280 22859.3231 19458.4367 5670.0026 185.3899 -336752.6629 22145.1353 0.0000 0.0000 44066.7338 -222367.6415 160.3027 -266434.3753 -222073.4243 160.3027 -4286.3893 -2748.0546 921491.4634 -4286.3893 -2748.0546
ENERGY: 281 22172.5960 19445.1183 5667.0588 186.2206 -337154.6801 22172.1191 0.0000 0.0000 45063.2423 -222448.3249 163.9277 -267511.5672 -222064.8515 163.9277 -3881.2952 -2782.5902 921491.4634 -3881.2952 -2782.5902
ENERGY: 282 20943.7900 19615.5380 5669.9796 186.8360 -336942.5033 22176.7654 0.0000 0.0000 45823.3370 -222526.2574 166.6927 -268349.5944 -222063.3312 166.6927 -2992.3273 -2779.3668 921491.4634 -2992.3273 -2779.3668
ENERGY: 283 20432.1062 19966.6615 5678.8137 187.1634 -336251.9200 22171.0647 0.0000 0.0000 45328.8520 -222487.2583 164.8939 -267816.1103 -222060.8456 164.8939 -2008.7738 -2748.2306 921491.4634 -2008.7738 -2748.2306
ENERGY: 284 20506.4000 20401.8823 5692.0830 187.1346 -335412.6300 22166.2909 0.0000 0.0000 44071.4481 -222387.3911 160.3198 -266458.8392 -222061.5537 160.3198 -1267.2792 -2712.3902 921491.4634 -1267.2792 -2712.3902
ENERGY: 285 20203.3288 20789.9630 5707.3565 186.7145 -334827.1964 22167.0164 0.0000 0.0000 43418.2631 -222354.5542 157.9437 -265772.8173 -222053.5963 157.9437 -1010.8438 -2700.0820 921491.4634 -1010.8438 -2700.0820
ENERGY: 286 19396.6309 20966.5623 5721.5032 185.8229 -334658.1146 22176.6862 0.0000 0.0000 43785.6882 -222425.2209 159.2803 -266210.9091 -222054.0579 159.2803 -1306.7501 -2717.2847 921491.4634 -1306.7501 -2717.2847
ENERGY: 287 19176.1190 20856.7823 5731.9346 184.4714 -334918.1477 22200.2909 0.0000 0.0000 44282.9439 -222485.6056 161.0892 -266768.5494 -222055.7250 161.0892 -2148.9611 -2753.3344 921491.4634 -2148.9611 -2753.3344
ENERGY: 288 20263.2088 20475.2852 5736.9558 182.7335 -335468.3146 22237.9036 0.0000 0.0000 44116.9905 -222455.2373 160.4855 -266572.2279 -222066.9051 160.4855 -3310.5877 -2790.1553 921491.4634 -3310.5877 -2790.1553
ENERGY: 289 21886.4834 19928.6979 5736.1905 180.7560 -336126.9120 22279.0688 0.0000 0.0000 43733.4514 -222382.2640 159.0903 -266115.7153 -222062.2722 159.0903 -4368.9813 -2809.8749 921491.4634 -4368.9813 -2809.8749
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 290 22615.9845 19325.5266 5730.3279 178.6973 -336571.4573 22308.2173 0.0000 0.0000 44027.4236 -222385.2801 160.1597 -266412.7037 -222063.4682 160.1597 -4815.3286 -2796.0390 921491.4634 -4815.3286 -2796.0390
ENERGY: 291 22115.7704 18802.2909 5721.4122 176.7646 -336554.3557 22315.5628 0.0000 0.0000 44963.0867 -222459.4681 163.5634 -267422.5548 -222063.1772 163.5634 -4450.6674 -2738.1108 921491.4634 -4450.6674 -2738.1108
ENERGY: 292 21262.5912 18472.4016 5712.2431 175.1751 -335987.2698 22302.8783 0.0000 0.0000 45560.3455 -222501.6351 165.7360 -268061.9806 -222072.5158 165.7360 -3435.4157 -2639.3512 921491.4634 -3435.4157 -2639.3512
ENERGY: 293 20783.4663 18411.7342 5705.7252 174.1484 -335092.9704 22279.1180 0.0000 0.0000 45283.4161 -222455.3622 164.7286 -267738.7783 -222061.5451 164.7286 -2166.7338 -2517.2544 921491.4634 -2166.7338 -2517.2544
ENERGY: 294 20398.6129 18589.6436 5703.5791 173.8101 -334179.1784 22254.0798 0.0000 0.0000 44662.2339 -222397.2189 162.4689 -267059.4528 -222058.8847 162.4689 -1006.6043 -2405.5593 921491.4634 -1006.6043 -2405.5593
ENERGY: 295 19706.6743 18924.3582 5706.2255 174.2141 -333602.5012 22236.6567 0.0000 0.0000 44449.5914 -222404.7811 161.6954 -266854.3724 -222057.5857 161.6954 -311.5566 -2335.1538 921491.4634 -311.5566 -2335.1538
ENERGY: 296 19122.8991 19301.4532 5712.5929 175.3096 -333576.4724 22236.1188 0.0000 0.0000 44573.6030 -222454.4958 162.1465 -267028.0988 -222067.3937 162.1465 -347.2082 -2322.9740 921491.4634 -347.2082 -2322.9740
ENERGY: 297 19439.7489 19641.8017 5720.7182 176.9777 -334148.9751 22258.2523 0.0000 0.0000 44466.2679 -222445.2085 161.7561 -266911.4764 -222050.8186 161.7561 -1189.5386 -2359.0875 921491.4634 -1189.5386 -2359.0875
ENERGY: 298 20578.5046 19886.6664 5727.8935 178.9488 -335137.5237 22299.1409 0.0000 0.0000 44067.5345 -222398.8350 160.3056 -266466.3695 -222053.6274 160.3056 -2519.0812 -2427.9309 921491.4634 -2519.0812 -2427.9309
ENERGY: 299 21598.9655 20050.9660 5731.9441 180.9390 -336266.8203 22346.0656 0.0000 0.0000 43977.6324 -222380.3077 159.9785 -266357.9400 -222056.3727 159.9785 -3820.1263 -2506.2688 921491.4634 -3820.1263 -2506.2688
LDB: ============= START OF LOAD BALANCING ============== 148.893
LDB: Largest compute 200 load 0.523796 is 1.1% of average load 45.694086
LDB: Average compute 0.064004 is 0.1% of average load 45.694086
LDB: TIME 148.895 LOAD: AVG 45.6941 MAX 47.1382 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.95 MB
LDB: TIME 148.895 LOAD: AVG 45.6941 MAX 47.1382 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3223.95 MB
LDB: TIME 148.912 LOAD: AVG 45.6941 MAX 46.2057 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3223.95 MB
LDB: ============== END OF LOAD BALANCING =============== 148.913
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.915
Info: Initial time: 4 CPUs 0.471104 s/step 5.45259 days/ns 3223.95 MB memory
TIMING: 300 CPU: 142.799, 0.471284/step Wall: 142.799, 0.471284/step, 0.0261824 hours remaining, 3223.953125 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 20174.1889 5731.6695 182.6816 -337209.9030 22385.4779 0.0000 0.0000 44423.7998 -222442.0971 161.6016 -266865.8969 -222076.5867 161.6016 -4600.9409 -2563.6019 921491.4634 -4600.9409 -2563.6019
ENERGY: 301 21754.7700 20299.7852 5727.3852 184.0330 -337665.1001 22409.6626 0.0000 0.0000 44817.7468 -222471.7173 163.0346 -267289.4641 -222059.2467 163.0346 -4657.8465 -2584.2293 921491.4634 -4657.8465 -2584.2293
ENERGY: 302 21723.0649 20395.7908 5720.2599 184.8676 -337483.0153 22416.9291 0.0000 0.0000 44599.2671 -222442.8359 162.2399 -267042.1030 -222057.3398 162.2399 -3958.8651 -2554.2736 921491.4634 -3958.8651 -2554.2736
ENERGY: 303 21512.5330 20430.0801 5712.5286 185.2198 -336784.9551 22409.2048 0.0000 0.0000 44154.6911 -222380.6978 160.6226 -266535.3888 -222054.2087 160.6226 -2717.2720 -2487.9822 921491.4634 -2717.2720 -2487.9822
ENERGY: 304 20579.5057 20379.6044 5706.6112 185.2163 -335895.7343 22392.3086 0.0000 0.0000 44259.5533 -222392.9348 161.0041 -266652.4881 -222063.7235 161.0041 -1310.8211 -2411.5371 921491.4634 -1310.8211 -2411.5371
ENERGY: 305 19294.2489 20267.1925 5704.5649 185.0761 -335184.3674 22377.9874 0.0000 0.0000 44903.5552 -222451.7424 163.3468 -267355.2975 -222049.0627 163.3468 -285.4665 -2359.8439 921491.4634 -285.4665 -2359.8439
ENERGY: 306 18813.6234 20091.4461 5706.8792 184.8700 -334861.4710 22380.1169 0.0000 0.0000 45195.6069 -222488.9286 164.4092 -267684.5355 -222048.9451 164.4092 -34.4474 -2342.9901 921491.4634 -34.4474 -2342.9901
ENERGY: 307 19699.8290 19880.2870 5712.8835 184.6555 -334994.2776 22404.6078 0.0000 0.0000 44676.1362 -222435.8786 162.5195 -267112.0148 -222050.4561 162.5195 -686.7123 -2362.0196 921491.4634 -686.7123 -2362.0196
ENERGY: 308 21066.5788 19666.1168 5720.7564 184.4262 -335495.7174 22443.3089 0.0000 0.0000 44039.4393 -222375.0910 160.2034 -266414.5303 -222060.2280 160.2034 -1960.6040 -2406.6006 921491.4634 -1960.6040 -2406.6006
ENERGY: 309 21696.0234 19507.1879 5728.2464 184.2113 -336171.4693 22480.8019 0.0000 0.0000 44190.3408 -222384.6577 160.7523 -266574.9985 -222050.0294 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 21508.7275 19421.0238 5732.7586 183.9063 -336693.8607 22505.8455 0.0000 0.0000 44871.0066 -222470.5923 163.2284 -267341.5989 -222052.4937 163.2284 -4424.6314 -2515.2222 921491.4634 -4424.6314 -2515.2222
ENERGY: 311 21459.6725 19421.2606 5732.5580 183.4896 -336798.7863 22515.0558 0.0000 0.0000 44986.9607 -222499.7892 163.6502 -267486.7498 -222053.3067 163.6502 -4795.7696 -2523.0992 921491.4634 -4795.7696 -2523.0992
ENERGY: 312 21894.2740 19475.0866 5727.0398 182.9545 -336390.8675 22507.7148 0.0000 0.0000 44171.5548 -222432.2431 160.6840 -266603.7979 -222064.5093 160.6840 -4390.5737 -2479.7746 921491.4634 -4390.5737 -2479.7746
ENERGY: 313 21935.6985 19529.7469 5717.1323 182.3602 -335633.4773 22483.0129 0.0000 0.0000 43439.9889 -222345.5377 158.0227 -265785.5266 -222050.9854 158.0227 -3324.4416 -2406.1160 921491.4634 -3324.4416 -2406.1160
ENERGY: 314 20774.0373 19507.1855 5704.6248 181.6523 -334801.1003 22445.5163 0.0000 0.0000 43813.5136 -222374.5705 159.3815 -266188.0841 -222048.2691 159.3815 -1862.2383 -2326.9766 921491.4634 -1862.2383 -2326.9766
ENERGY: 315 19161.1203 19408.2594 5692.2116 180.8666 -334233.4699 22410.8356 0.0000 0.0000 44907.4427 -222472.7336 163.3609 -267380.1763 -222046.1397 163.3609 -549.3942 -2270.2360 921491.4634 -549.3942 -2270.2360
ENERGY: 316 18669.4292 19303.6207 5682.5271 180.0732 -334172.3640 22398.3988 0.0000 0.0000 45428.4346 -222509.8804 165.2562 -267938.3151 -222062.0709 165.2562 64.5863 -2251.8059 921491.4634 64.5863 -2251.8059
ENERGY: 317 19739.5966 19309.4452 5677.5265 179.4130 -334705.9333 22416.0668 0.0000 0.0000 44959.2152 -222424.6701 163.5493 -267383.8853 -222046.6268 163.5493 -296.1487 -2282.4174 921491.4634 -296.1487 -2282.4174
ENERGY: 318 21109.3874 19471.3043 5677.4840 178.9393 -335675.6973 22454.1808 0.0000 0.0000 44425.4198 -222358.9816 161.6075 -266784.4015 -222048.7804 161.6075 -1378.4199 -2356.1402 921491.4634 -1378.4199 -2356.1402
ENERGY: 319 21567.4384 19787.0343 5681.4413 178.7485 -336801.6066 22496.5473 0.0000 0.0000 44691.1807 -222399.2161 162.5742 -267090.3968 -222051.9249 162.5742 -2725.8797 -2457.2025 921491.4634 -2725.8797 -2457.2025
TIMING: 320 CPU: 152.014, 0.460743/step Wall: 152.014, 0.460743/step, 0.0230371 hours remaining, 3223.953125 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 -337738.1158 22532.5474 0.0000 0.0000 45250.4876 -222499.1143 164.6088 -267749.6018 -222076.2070 164.6088 -3895.6022 -2553.5002 921491.4634 -3895.6022 -2553.5002
ENERGY: 321 21615.1675 20628.0218 5693.0806 179.5146 -338181.7102 22557.3344 0.0000 0.0000 45018.7805 -222489.8109 163.7660 -267508.5913 -222064.2786 163.7660 -4609.2360 -2621.5363 921491.4634 -4609.2360 -2621.5363
ENERGY: 322 22179.0070 20957.0456 5696.1855 180.4970 -337965.9628 22565.0702 0.0000 0.0000 43989.5239 -222398.6336 160.0218 -266388.1574 -222063.6575 160.0218 -4596.8830 -2640.5013 921491.4634 -4596.8830 -2640.5013
ENERGY: 323 21976.7006 21085.8079 5695.4506 181.8003 -337194.0743 22550.8102 0.0000 0.0000 43361.4903 -222342.0144 157.7372 -265703.5047 -222061.4463 157.7372 -3808.3607 -2616.6944 921491.4634 -3808.3607 -2616.6944
ENERGY: 324 20558.5068 20952.0213 5690.8582 183.3007 -336170.3972 22520.5740 0.0000 0.0000 43857.2500 -222407.8862 159.5406 -266265.1362 -222068.7481 159.5406 -2506.6901 -2573.6931 921491.4634 -2506.6901 -2573.6931
ENERGY: 325 19096.1752 20584.7378 5683.7433 184.8442 -335297.0509 22494.0543 0.0000 0.0000 44763.3953 -222490.1009 162.8369 -267253.4962 -222060.9511 162.8369 -1264.0245 -2529.6546 921491.4634 -1264.0245 -2529.6546
ENERGY: 326 18959.6361 20052.8005 5675.9627 186.2078 -334820.0099 22490.4167 0.0000 0.0000 44971.8221 -222483.1641 163.5951 -267454.9861 -222059.6107 163.5951 -572.2141 -2503.0558 921491.4634 -572.2141 -2503.0558
ENERGY: 327 20020.7820 19506.2795 5669.7116 187.2139 -334851.2525 22513.0144 0.0000 0.0000 44550.7423 -222403.5088 162.0634 -266954.2511 -222059.8759 162.0634 -657.4990 -2506.5014 921491.4634 -657.4990 -2506.5014
ENERGY: 328 20934.1978 19092.0092 5666.7484 187.7399 -335303.4705 22549.7451 0.0000 0.0000 44493.2354 -222379.7947 161.8542 -266873.0301 -222061.7257 161.8542 -1393.2037 -2547.3518 921491.4634 -1393.2037 -2547.3518
ENERGY: 329 21066.6664 18910.0877 5668.0553 187.7546 -335996.4122 22586.9564 0.0000 0.0000 45124.3164 -222452.5754 164.1499 -267576.8918 -222059.3365 164.1499 -2499.2289 -2610.9952 921491.4634 -2499.2289 -2610.9952
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 330 21142.6834 18933.5042 5673.1988 187.2569 -336566.3113 22617.7578 0.0000 0.0000 45495.0145 -222516.8956 165.4984 -268011.9101 -222062.1149 165.4984 -3602.9590 -2673.3213 921491.4634 -3602.9590 -2673.3213
ENERGY: 331 21864.6856 19091.0590 5680.9136 186.3262 -336735.1747 22637.2713 0.0000 0.0000 44806.2162 -222468.7027 162.9927 -267274.9189 -222063.3970 162.9927 -4373.7649 -2707.8812 921491.4634 -4373.7649 -2707.8812
ENERGY: 332 22513.8608 19292.8539 5689.3391 185.0893 -336383.5017 22636.4042 0.0000 0.0000 43697.6285 -222368.3260 158.9600 -266065.9545 -222061.8459 158.9600 -4514.5072 -2704.7030 921491.4634 -4514.5072 -2704.7030
ENERGY: 333 21854.9975 19482.7895 5696.6505 183.7309 -335681.4578 22608.9728 0.0000 0.0000 43501.2419 -222353.0747 158.2456 -265854.3166 -222052.0751 158.2456 -3943.3089 -2666.2162 921491.4634 -3943.3089 -2666.2162
ENERGY: 334 20023.4849 19603.2613 5701.0454 182.3864 -334880.5297 22564.8640 0.0000 0.0000 44357.3053 -222448.1824 161.3597 -266805.4876 -222049.6959 161.3597 -2855.3040 -2607.1877 921491.4634 -2855.3040 -2607.1877
ENERGY: 335 18726.9583 19647.0447 5701.6423 181.1976 -334325.9451 22528.7343 0.0000 0.0000 45026.6265 -222513.7413 163.7945 -267540.3678 -222047.5430 163.7945 -1753.1270 -2542.6965 921491.4634 -1753.1270 -2542.6965
ENERGY: 336 19127.9134 19639.0994 5698.6022 180.2744 -334271.7852 22519.6996 0.0000 0.0000 44649.6648 -222456.5314 162.4232 -267106.1962 -222055.6200 162.4232 -1093.5005 -2488.8702 921491.4634 -1093.5005 -2488.8702
ENERGY: 337 20420.1633 19649.7063 5693.3319 179.7347 -334824.3554 22536.4220 0.0000 0.0000 43995.5997 -222349.3975 160.0439 -266344.9972 -222040.1024 160.0439 -1064.7182 -2460.5860 921491.4634 -1064.7182 -2460.5860
ENERGY: 338 21007.5745 19722.4643 5687.5590 179.5437 -335808.8617 22564.1942 0.0000 0.0000 44285.9173 -222361.6087 161.1000 -266647.5260 -222041.5957 161.1000 -1500.9497 -2462.8576 921491.4634 -1500.9497 -2462.8576
ENERGY: 339 20742.6009 19892.4865 5683.2969 179.6501 -336924.5158 22593.0215 0.0000 0.0000 45359.3480 -222474.1118 165.0048 -267833.4598 -222043.8629 165.0048 -2199.9375 -2485.1216 921491.4634 -2199.9375 -2485.1216
TIMING: 340 CPU: 161.233, 0.460913/step Wall: 161.233, 0.460913/step, 0.020485 hours remaining, 3223.953125 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 340 20898.6068 20139.5373 5681.9995 179.9655 -337821.3679 22621.7133 0.0000 0.0000 45758.5730 -222540.9724 166.4571 -268299.5454 -222070.3952 166.4571 -2966.9709 -2503.9486 921491.4634 -2966.9709 -2503.9486
ENERGY: 341 22051.8628 20407.8963 5684.3134 180.4786 -338209.1664 22646.3195 0.0000 0.0000 44797.5821 -222440.7137 162.9613 -267238.2958 -222054.5347 162.9613 -3585.3815 -2498.5444 921491.4634 -3585.3815 -2498.5444
ENERGY: 342 22895.9215 20582.1011 5689.2420 181.0293 -337942.4473 22653.2568 0.0000 0.0000 43612.4991 -222328.3975 158.6503 -265940.8966 -222054.3601 158.6503 -3711.7549 -2460.9856 921491.4634 -3711.7549 -2460.9856
ENERGY: 343 21993.5596 20596.8906 5695.1198 181.5548 -337132.3416 22633.1269 0.0000 0.0000 43686.5577 -222345.5322 158.9197 -266032.0898 -222053.2448 158.9197 -3217.8266 -2399.3477 921491.4634 -3217.8266 -2399.3477
ENERGY: 344 19898.5080 20447.2067 5699.9573 182.0106 -336095.2675 22596.5925 0.0000 0.0000 44790.9365 -222480.0559 162.9371 -267270.9924 -222071.3577 162.9371 -2338.1162 -2329.7493 921491.4634 -2338.1162 -2329.7493
ENERGY: 345 18694.7359 20199.0882 5702.3270 182.4513 -335224.1272 22568.7533 0.0000 0.0000 45351.4660 -222525.3055 164.9762 -267876.7715 -222058.0554 164.9762 -1576.2391 -2261.7961 921491.4634 -1576.2391 -2261.7961
ENERGY: 346 19350.9890 19892.9543 5701.0894 182.7368 -334783.0718 22565.1333 0.0000 0.0000 44652.5018 -222437.6672 162.4335 -267090.1690 -222056.8255 162.4335 -1239.3022 -2211.7782 921491.4634 -1239.3022 -2211.7782
ENERGY: 347 20669.8294 19583.9410 5696.3950 182.8447 -334881.4381 22581.1978 0.0000 0.0000 43831.1327 -222336.0975 159.4456 -266167.2302 -222056.9473 159.4456 -1358.8145 -2194.9213 921491.4634 -1358.8145 -2194.9213
ENERGY: 348 21062.2470 19315.9903 5689.3479 182.7918 -335425.6663 22604.2197 0.0000 0.0000 44195.9875 -222375.0820 160.7729 -266571.0696 -222064.0948 160.7729 -1766.2766 -2218.9159 921491.4634 -1766.2766 -2218.9159
ENERGY: 349 20718.9514 19143.3230 5681.9008 182.6959 -336197.3777 22630.4371 0.0000 0.0000 45349.6294 -222490.4401 164.9695 -267840.0695 -222056.3110 164.9695 -2336.6407 -2270.6251 921491.4634 -2336.6407 -2270.6251
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 350 21009.3451 19066.8674 5675.7227 182.5405 -336836.8350 22661.9751 0.0000 0.0000 45710.0735 -222530.3106 166.2807 -268240.3842 -222058.0877 166.2807 -2896.5510 -2326.8869 921491.4634 -2896.5510 -2326.8869
ENERGY: 351 22235.3181 19085.8713 5672.3994 182.3761 -337072.3442 22693.2953 0.0000 0.0000 44770.4135 -222432.6705 162.8625 -267203.0840 -222058.6356 162.8625 -3254.0188 -2369.0509 921491.4634 -3254.0188 -2369.0509
ENERGY: 352 22912.9250 19180.1280 5672.7330 182.2243 -336794.7851 22708.6916 0.0000 0.0000 43795.3992 -222342.6841 159.3156 -266138.0833 -222059.3897 159.3156 -3190.0138 -2394.0290 921491.4634 -3190.0138 -2394.0290
ENERGY: 353 21825.9775 19344.0935 5676.6445 182.1014 -336147.6544 22699.4229 0.0000 0.0000 44043.1857 -222376.2290 160.2170 -266419.4146 -222047.6761 160.2170 -2709.1543 -2407.4664 921491.4634 -2709.1543 -2407.4664
ENERGY: 354 19814.0381 19544.5090 5682.7361 181.9868 -335375.1817 22676.8662 0.0000 0.0000 44983.0757 -222491.9698 163.6361 -267475.0455 -222046.2241 163.6361 -2040.9900 -2415.4742 921491.4634 -2040.9900 -2415.4742
ENERGY: 355 18879.8418 19773.7507 5689.2466 181.9196 -334823.9950 22664.4417 0.0000 0.0000 45120.2678 -222514.5269 164.1351 -267634.7947 -222044.8380 164.1351 -1600.3170 -2424.6828 921491.4634 -1600.3170 -2424.6828
ENERGY: 356 19622.4371 20015.8108 5694.4280 181.9402 -334758.7685 22674.4075 0.0000 0.0000 44153.0885 -222416.6564 160.6168 -266569.7449 -222053.0961 160.6168 -1622.0263 -2446.8266 921491.4634 -1622.0263 -2446.8266
ENERGY: 357 20687.2711 20255.1054 5697.1708 182.0215 -335288.0640 22700.2945 0.0000 0.0000 43438.0178 -222328.1829 158.0156 -265766.2007 -222042.2329 158.0156 -2061.3606 -2486.6662 921491.4634 -2061.3606 -2486.6662
ENERGY: 358 20785.4065 20424.8429 5696.9833 182.1295 -336225.9473 22730.2415 0.0000 0.0000 44019.5823 -222386.7615 160.1311 -266406.3438 -222043.9944 160.1311 -2636.8580 -2541.3593 921491.4634 -2636.8580 -2541.3593
ENERGY: 359 20493.6441 20484.4984 5694.4425 182.1894 -337270.5924 22762.0664 0.0000 0.0000 45152.8979 -222500.8538 164.2538 -267653.7517 -222046.1000 164.2538 -3161.2176 -2593.4281 921491.4634 -3161.2176 -2593.4281
TIMING: 360 CPU: 170.443, 0.460509/step Wall: 170.443, 0.460509/step, 0.0179087 hours remaining, 3223.953125 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 360 21112.5812 20418.0333 5690.9152 182.1442 -338077.5503 22797.1674 0.0000 0.0000 45362.4568 -222514.2522 165.0162 -267876.7090 -222065.3874 165.0162 -3505.9503 -2622.8572 921491.4634 -3505.9503 -2622.8572
ENERGY: 361 22462.8275 20259.6925 5688.3192 181.9496 -338397.1521 22827.2218 0.0000 0.0000 44580.8521 -222396.2895 162.1729 -266977.1416 -222052.4538 162.1729 -3542.5442 -2618.5019 921491.4634 -3542.5442 -2618.5019
ENERGY: 362 22808.6002 20031.2789 5688.3204 181.6679 -338079.7608 22835.7523 0.0000 0.0000 44200.9553 -222333.1859 160.7909 -266534.1412 -222051.2754 160.7909 -3087.0697 -2583.1905 921491.4634 -3087.0697 -2583.1905
ENERGY: 363 21303.6021 19794.1187 5692.1162 181.3427 -337235.0086 22818.0649 0.0000 0.0000 45033.6627 -222412.1012 163.8201 -267445.7639 -222049.5298 163.8201 -2242.6819 -2529.7064 921491.4634 -2242.6819 -2529.7064
ENERGY: 364 19323.8976 19612.6014 5699.8913 181.0103 -336175.1996 22790.5191 0.0000 0.0000 46034.3488 -222532.9311 167.4603 -268567.2799 -222068.5916 167.4603 -1420.0426 -2476.3757 921491.4634 -1420.0426 -2476.3757
ENERGY: 365 18830.5841 19548.3420 5710.7559 180.6857 -335316.0966 22775.7829 0.0000 0.0000 45760.0886 -222509.8575 166.4626 -268269.9461 -222057.4400 166.4626 -1100.2607 -2433.4823 921491.4634 -1100.2607 -2433.4823
ENERGY: 366 19854.2639 19578.5648 5722.5903 180.3919 -334923.1925 22780.3500 0.0000 0.0000 44422.2469 -222384.7847 161.5959 -266807.0316 -222057.2775 161.5959 -1392.6926 -2417.6863 921491.4634 -1392.6926 -2417.6863
ENERGY: 367 20741.0596 19662.8834 5732.9484 180.1165 -335098.3154 22794.3493 0.0000 0.0000 43662.6183 -222324.3398 158.8326 -265986.9582 -222058.3711 158.8326 -2104.1273 -2437.9269 921491.4634 -2104.1273 -2437.9269
ENERGY: 368 20561.5937 19748.2119 5739.6691 179.8275 -335728.0871 22808.6651 0.0000 0.0000 44272.8406 -222417.2792 161.0524 -266690.1198 -222068.2911 161.0524 -2928.4885 -2487.3070 921491.4634 -2928.4885 -2487.3070
ENERGY: 369 20346.9678 19812.6205 5741.6370 179.5048 -336580.3305 22825.3358 0.0000 0.0000 45155.6308 -222518.6339 164.2638 -267674.2647 -222061.1000 164.2638 -3666.9890 -2542.4574 921491.4634 -3666.9890 -2542.4574
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 370 21302.3706 19815.7282 5738.6028 179.1429 -337296.0553 22846.3049 0.0000 0.0000 44920.4943 -222493.4115 163.4084 -267413.9058 -222062.2625 163.4084 -4081.4435 -2576.8189 921491.4634 -4081.4435 -2576.8189
ENERGY: 371 22799.2772 19758.4807 5731.5881 178.8004 -337606.4369 22861.3510 0.0000 0.0000 43904.8962 -222372.0433 159.7139 -266276.9394 -222061.9337 159.7139 -3956.1480 -2578.2817 921491.4634 -3956.1480 -2578.2817
ENERGY: 372 22964.3598 19665.2850 5722.4284 178.5955 -337391.7871 22854.0836 0.0000 0.0000 43672.6556 -222334.3792 158.8691 -266007.0349 -222060.3196 158.8691 -3189.3382 -2552.6173 921491.4634 -3189.3382 -2552.6173
ENERGY: 373 21253.1599 19603.3417 5713.4759 178.7080 -336784.3115 22822.4881 0.0000 0.0000 44782.9951 -222430.1429 162.9082 -267213.1380 -222050.3114 162.9082 -2037.0650 -2511.6657 921491.4634 -2037.0650 -2511.6657
ENERGY: 374 19285.9368 19613.0720 5706.5680 179.1985 -336019.1236 22785.5048 0.0000 0.0000 45912.3280 -222536.5156 167.0164 -268448.8435 -222048.2690 167.0164 -983.4307 -2469.0311 921491.4634 -983.4307 -2469.0311
ENERGY: 375 18893.7030 19735.2395 5703.0316 180.0533 -335443.7687 22766.6833 0.0000 0.0000 45660.9720 -222504.0861 166.1021 -268165.0581 -222047.0944 166.1021 -539.4861 -2439.8661 921491.4634 -539.4861 -2439.8661
ENERGY: 376 19884.0274 19962.1764 5703.2011 181.1433 -335321.8630 22772.8700 0.0000 0.0000 44434.3275 -222384.1173 161.6399 -266818.4448 -222050.5527 161.6399 -874.6221 -2439.6902 921491.4634 -874.6221 -2439.6902
ENERGY: 377 20646.4608 20251.1594 5706.5522 182.3248 -335763.5799 22794.3773 0.0000 0.0000 43848.2754 -222334.4301 159.5080 -266182.7055 -222041.4011 159.5080 -1819.5856 -2472.4986 921491.4634 -1819.5856 -2472.4986
ENERGY: 378 20473.8098 20495.6595 5711.4639 183.2952 -336584.2276 22821.5836 0.0000 0.0000 44474.7537 -222423.6619 161.7869 -266898.4156 -222044.3965 161.7869 -2972.9871 -2523.3498 921491.4634 -2972.9871 -2523.3498
ENERGY: 379 20419.4575 20623.8791 5716.2160 183.8420 -337495.6094 22854.5152 0.0000 0.0000 45185.6415 -222512.0580 164.3729 -267697.6995 -222047.0127 164.3729 -3997.4170 -2563.3072 921491.4634 -3997.4170 -2563.3072
TIMING: 380 CPU: 179.648, 0.460251/step Wall: 179.648, 0.460251/step, 0.0153417 hours remaining, 3223.953125 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 21458.1130 20605.4120 5719.3306 183.8284 -338176.3452 22892.6529 0.0000 0.0000 44833.7903 -222483.2180 163.0930 -267317.0083 -222063.6478 163.0930 -4580.2701 -2564.2101 921491.4634 -4580.2701 -2564.2101
ENERGY: 381 22824.3126 20467.0311 5720.1164 183.2929 -338395.2412 22923.6569 0.0000 0.0000 43906.3006 -222370.5307 159.7191 -266276.8313 -222053.0345 159.7191 -4470.7196 -2514.6121 921491.4634 -4470.7196 -2514.6121
ENERGY: 382 22844.1904 20220.4986 5718.3197 182.2157 -338010.6535 22930.5473 0.0000 0.0000 43766.5300 -222348.3518 159.2106 -266114.8818 -222051.0361 159.2106 -3524.7150 -2418.5488 921491.4634 -3524.7150 -2418.5488
ENERGY: 383 21263.6994 19910.9247 5714.6670 180.7420 -337128.0230 22911.2845 0.0000 0.0000 44707.9445 -222438.7610 162.6352 -267146.7054 -222048.1878 162.6352 -2023.0804 -2294.0132 921491.4634 -2023.0804 -2294.0132
ENERGY: 384 19625.4116 19596.0355 5710.5349 179.0647 -336052.0491 22884.2534 0.0000 0.0000 45539.1832 -222517.5658 165.6590 -268056.7490 -222062.0925 165.6590 -569.2381 -2166.9358 921491.4634 -569.2381 -2166.9358
ENERGY: 385 19327.8183 19356.8913 5707.7752 177.4354 -335210.6405 22871.6144 0.0000 0.0000 45299.7170 -222469.3889 164.7879 -267769.1059 -222051.0993 164.7879 215.3513 -2064.3637 921491.4634 215.3513 -2064.3637
ENERGY: 386 19981.2275 19220.9466 5707.6638 175.9384 -334865.1821 22880.7958 0.0000 0.0000 44519.8585 -222378.7515 161.9510 -266898.6101 -222051.0437 161.9510 122.6669 -2011.2429 921491.4634 122.6669 -2011.2429
ENERGY: 387 20367.2860 19202.4845 5710.9355 174.6759 -335109.8728 22905.2744 0.0000 0.0000 44377.1816 -222372.0349 161.4320 -266749.2165 -222053.0050 161.4320 -738.9584 -2019.1689 921491.4634 -738.9584 -2019.1689
ENERGY: 388 20282.3986 19280.0168 5717.2935 173.7038 -335824.1519 22938.2900 0.0000 0.0000 44972.7762 -222459.6731 163.5986 -267432.4492 -222067.4817 163.5986 -2063.8553 -2076.2822 921491.4634 -2063.8553 -2076.2822
ENERGY: 389 20685.9712 19431.2564 5725.6291 173.0778 -336772.2803 22978.5919 0.0000 0.0000 45279.3794 -222498.3745 164.7139 -267777.7539 -222059.2965 164.7139 -3501.7339 -2158.1993 921491.4634 -3501.7339 -2158.1993
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 390 21929.5051 19598.7447 5733.9032 172.7580 -337596.2512 23021.3362 0.0000 0.0000 44698.9838 -222441.0202 162.6026 -267140.0040 -222061.4795 162.6026 -4540.4923 -2229.7775 921491.4634 -4540.4923 -2229.7775
ENERGY: 391 22937.3143 19764.3494 5740.3108 172.7562 -338017.7277 23051.7299 0.0000 0.0000 43987.0074 -222364.2597 160.0126 -266351.2671 -222061.6921 160.0126 -4746.5208 -2270.9349 921491.4634 -4746.5208 -2270.9349
ENERGY: 392 22488.0359 19924.0527 5743.6080 173.0775 -337898.4686 23055.0073 0.0000 0.0000 44125.3371 -222389.3501 160.5158 -266514.6872 -222067.3165 160.5158 -3965.0289 -2276.9602 921491.4634 -3965.0289 -2276.9602
ENERGY: 393 20924.3597 20087.8867 5743.5041 173.6901 -337346.1127 23032.5726 0.0000 0.0000 44913.3821 -222470.7175 163.3825 -267384.0996 -222058.1706 163.3825 -2525.7429 -2257.0110 921491.4634 -2525.7429 -2257.0110
ENERGY: 394 19713.0847 20210.4902 5740.1181 174.4904 -336587.4367 23002.1143 0.0000 0.0000 45247.1174 -222500.0216 164.5966 -267747.1390 -222054.8625 164.5966 -988.4120 -2227.7233 921491.4634 -988.4120 -2227.7233
ENERGY: 395 19644.4021 20265.5068 5734.3764 175.3161 -335972.1482 22982.1019 0.0000 0.0000 44739.8938 -222430.5511 162.7514 -267170.4449 -222052.2369 162.7514 57.9320 -2215.1748 921491.4634 57.9320 -2215.1748
ENERGY: 396 20000.9211 20248.4507 5727.6303 175.9620 -335765.9671 22978.8838 0.0000 0.0000 44270.3052 -222363.8139 161.0432 -266634.1191 -222050.8946 161.0432 285.8964 -2246.0849 921491.4634 285.8964 -2246.0849
ENERGY: 397 19906.7784 20200.7711 5721.4919 176.2273 -336102.8176 22990.0374 0.0000 0.0000 44712.8676 -222394.6439 162.6531 -267107.5115 -222042.6597 162.6531 -376.0861 -2327.2102 921491.4634 -376.0861 -2327.2102
ENERGY: 398 19692.8115 20133.3592 5716.9814 176.0456 -336812.3378 23014.0585 0.0000 0.0000 45592.7323 -222486.3494 165.8538 -268079.0817 -222045.7220 165.8538 -1710.2235 -2443.6965 921491.4634 -1710.2235 -2443.6965
ENERGY: 399 20395.5107 20061.2891 5714.6368 175.4775 -337634.0283 23050.4586 0.0000 0.0000 45731.2028 -222505.4529 166.3575 -268236.6557 -222049.1600 166.3575 -3349.4390 -2564.3620 921491.4634 -3349.4390 -2564.3620
LDB: ============= START OF LOAD BALANCING ============== 194.977
LDB: Largest compute 230 load 0.530871 is 1.2% of average load 45.663288
LDB: Average compute 0.063945 is 0.1% of average load 45.663288
LDB: TIME 194.979 LOAD: AVG 45.6633 MAX 46.0624 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.95 MB
LDB: TIME 194.98 LOAD: AVG 45.6633 MAX 46.0624 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3223.95 MB
LDB: TIME 194.98 LOAD: AVG 45.6633 MAX 46.0624 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3223.95 MB
LDB: ============== END OF LOAD BALANCING =============== 194.98
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.981
Info: Benchmark time: 4 CPUs 0.460562 s/step 5.33058 days/ns 3223.95 MB memory
TIMING: 400 CPU: 188.86, 0.460597/step Wall: 188.86, 0.460597/step, 0.0127944 hours remaining, 3223.953125 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 19981.4882 5714.2278 174.7230 -338264.6727 23090.3527 0.0000 0.0000 44890.2683 -222429.6570 163.2985 -267319.9253 -222060.6830 163.2985 -4748.6077 -2656.9999 921491.4634 -4748.6077 -2656.9999
ENERGY: 401 23053.7072 19909.1478 5715.0562 174.0724 -338477.1023 23114.9566 0.0000 0.0000 44157.6678 -222352.4942 160.6335 -266510.1621 -222050.1989 160.6335 -5384.8816 -2700.1794 921491.4634 -5384.8816 -2700.1794
ENERGY: 402 22444.0480 19835.9109 5715.8942 173.8391 -338107.6287 23109.6378 0.0000 0.0000 44436.8098 -222391.4889 161.6489 -266828.2987 -222049.2225 161.6489 -4939.3797 -2681.7025 921491.4634 -4939.3797 -2681.7025
ENERGY: 403 20784.9696 19778.4828 5715.7218 174.2695 -337239.9784 23077.8402 0.0000 0.0000 45225.5962 -222483.0983 164.5183 -267708.6945 -222046.6853 164.5183 -3613.5981 -2605.7428 921491.4634 -3613.5981 -2605.7428
ENERGY: 404 19687.5955 19735.4028 5713.8114 175.5084 -336169.1141 23038.2900 0.0000 0.0000 45313.8391 -222504.6668 164.8393 -267818.5059 -222060.2370 164.8393 -1967.0749 -2494.0439 921491.4634 -1967.0749 -2494.0439
ENERGY: 405 19798.8803 19696.7725 5710.0281 177.6161 -335317.9347 23008.3948 0.0000 0.0000 44511.4432 -222414.7997 161.9204 -266926.2429 -222047.5589 161.9204 -627.4749 -2380.7863 921491.4634 -627.4749 -2380.7863
ENERGY: 406 20210.3504 19614.0442 5704.4965 180.4779 -334953.8235 22994.4763 0.0000 0.0000 43902.7661 -222347.2121 159.7062 -266249.9782 -222046.2404 159.7062 66.0354 -2300.4795 921491.4634 66.0354 -2300.4795
ENERGY: 407 20044.4886 19493.9063 5698.1032 183.8794 -335181.5229 22996.8162 0.0000 0.0000 44376.0634 -222388.2659 161.4279 -266764.3293 -222047.0770 161.4279 -41.3217 -2272.9969 921491.4634 -41.3217 -2272.9969
ENERGY: 408 19735.8468 19387.6642 5692.2152 187.5226 -335902.8213 23017.8174 0.0000 0.0000 45394.4120 -222487.3431 165.1324 -267881.7551 -222063.5311 165.1324 -920.8278 -2294.1555 921491.4634 -920.8278 -2294.1555
ENERGY: 409 20350.1186 19376.4605 5688.4775 191.1592 -336896.6841 23057.9923 0.0000 0.0000 45733.6056 -222498.8703 166.3663 -268232.4759 -222051.6704 166.3663 -2367.4917 -2346.9324 921491.4634 -2367.4917 -2346.9324
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 410 21850.5210 19470.1801 5687.6650 194.4179 -337813.1840 23106.2030 0.0000 0.0000 45077.0712 -222427.1260 163.9780 -267504.1972 -222054.6427 163.9780 -3838.6210 -2402.0239 921491.4634 -3838.6210 -2402.0239
ENERGY: 411 22931.8001 19651.0975 5689.8741 197.0388 -338354.2241 23140.9047 0.0000 0.0000 44380.5344 -222362.9745 161.4442 -266743.5090 -222056.2114 161.4442 -4745.1591 -2436.8800 921491.4634 -4745.1591 -2436.8800
ENERGY: 412 22535.8951 19878.8220 5694.3234 198.8205 -338356.4971 23146.2937 0.0000 0.0000 44499.5082 -222402.8342 161.8770 -266902.3424 -222068.4598 161.8770 -4717.2140 -2436.3027 921491.4634 -4717.2140 -2436.3027
ENERGY: 413 21130.1418 20138.5249 5699.9334 199.7191 -337872.5317 23125.1117 0.0000 0.0000 45113.2139 -222465.8869 164.1095 -267579.1008 -222055.3452 164.1095 -3850.6271 -2398.9548 921491.4634 -3850.6271 -2398.9548
ENERGY: 414 19987.3858 20381.5507 5705.1135 199.5118 -337122.7796 23094.4559 0.0000 0.0000 45271.6524 -222483.1096 164.6858 -267754.7620 -222052.1623 164.6858 -2501.3243 -2333.9463 921491.4634 -2501.3243 -2333.9463
ENERGY: 415 19745.2667 20572.1260 5708.7452 198.1487 -336456.1971 23071.1992 0.0000 0.0000 44733.2270 -222427.4844 162.7272 -267160.7114 -222049.0345 162.7272 -1174.6452 -2266.5614 921491.4634 -1174.6452 -2266.5614
ENERGY: 416 19942.3169 20661.9897 5710.0857 195.6953 -336157.5860 23063.1716 0.0000 0.0000 44200.2848 -222384.0420 160.7885 -266584.3269 -222052.9643 160.7885 -282.7612 -2224.6896 921491.4634 -282.7612 -2224.6896
ENERGY: 417 20031.3748 20631.3210 5709.0494 192.4696 -336373.1074 23072.1099 0.0000 0.0000 44338.4619 -222398.3209 161.2911 -266736.7827 -222044.6992 161.2911 -112.4550 -2227.1699 921491.4634 -112.4550 -2227.1699
ENERGY: 418 20154.6647 20457.0910 5705.5847 188.6536 -336970.7867 23098.6727 0.0000 0.0000 44915.1422 -222450.9778 163.3889 -267366.1200 -222046.7092 163.3889 -671.8542 -2269.9921 921491.4634 -671.8542 -2269.9921
ENERGY: 419 20790.7630 20185.5525 5700.4810 184.6054 -337717.8756 23139.8024 0.0000 0.0000 45250.3100 -222466.3612 164.6082 -267716.6713 -222049.5949 164.6082 -1783.9419 -2336.6464 921491.4634 -1783.9419 -2336.6464
TIMING: 420 CPU: 198.038, 0.45892/step Wall: 198.038, 0.45892/step, 0.0101982 hours remaining, 3223.953125 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 19887.3912 5695.0415 180.6770 -338321.5513 23183.0575 0.0000 0.0000 45121.9777 -222440.5305 164.1414 -267562.5083 -222061.1148 164.1414 -3051.6029 -2402.9274 921491.4634 -3051.6029 -2402.9274
ENERGY: 421 22491.6105 19639.6137 5690.9238 177.2518 -338550.3538 23210.1385 0.0000 0.0000 44931.8962 -222408.9193 163.4499 -267340.8155 -222052.6019 163.4499 -4041.3727 -2452.8636 921491.4634 -4041.3727 -2452.8636
ENERGY: 422 22275.7614 19449.5351 5688.9976 174.4058 -338225.0319 23208.5476 0.0000 0.0000 45004.7086 -222423.0758 163.7148 -267427.7843 -222052.8450 163.7148 -4363.1155 -2465.6374 921491.4634 -4363.1155 -2465.6374
ENERGY: 423 21418.8987 19324.4274 5689.6736 172.2145 -337416.8962 23180.6041 0.0000 0.0000 45183.9716 -222447.1064 164.3669 -267631.0779 -222051.5233 164.3669 -3955.8311 -2434.9307 921491.4634 -3955.8311 -2434.9307
ENERGY: 424 20531.3312 19270.7816 5692.6542 170.6563 -336406.2772 23140.4647 0.0000 0.0000 45151.0461 -222449.3432 164.2471 -267600.3893 -222060.4128 164.2471 -3030.1612 -2370.2034 921491.4634 -3030.1612 -2370.2034
ENERGY: 425 19942.3362 19314.5607 5697.3263 169.6876 -335607.5214 23103.7921 0.0000 0.0000 44956.0486 -222423.7699 163.5377 -267379.8185 -222050.7965 163.5377 -1980.9655 -2297.0091 921491.4634 -1980.9655 -2297.0091
ENERGY: 426 19603.3347 19432.3067 5702.4947 169.0990 -335270.6884 23080.2893 0.0000 0.0000 44862.7392 -222420.4248 163.1983 -267283.1640 -222049.1091 163.1983 -1125.8050 -2237.7215 921491.4634 -1125.8050 -2237.7215
ENERGY: 427 19598.5315 19595.2896 5707.1504 168.7509 -335498.4327 23074.5008 0.0000 0.0000 44915.2783 -222438.9312 163.3894 -267354.2095 -222048.7339 163.3894 -741.9008 -2207.6355 921491.4634 -741.9008 -2207.6355
ENERGY: 428 20140.4227 19760.4168 5710.4628 168.5259 -336199.9858 23087.7678 0.0000 0.0000 44884.2602 -222448.1295 163.2766 -267332.3898 -222058.0548 163.2766 -935.5730 -2206.9584 921491.4634 -935.5730 -2206.9584
ENERGY: 429 21147.3675 19912.0617 5712.1358 168.3557 -337181.5912 23116.4522 0.0000 0.0000 44706.5251 -222418.6932 162.6301 -267125.2184 -222045.4879 162.6301 -1630.8083 -2233.4561 921491.4634 -1630.8083 -2233.4561
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9871 20024.3737 5712.1700 168.1897 -338096.9210 23149.4494 0.0000 0.0000 44626.3106 -222402.4405 162.3383 -267028.7511 -222047.3913 162.3383 -2472.2456 -2268.0465 921491.4634 -2472.2456 -2268.0465
ENERGY: 431 22204.1021 20111.4153 5711.2600 168.0704 -338644.7651 23172.3806 0.0000 0.0000 44858.4637 -222419.0730 163.1828 -267277.5367 -222048.7167 163.1828 -3116.2806 -2293.5591 921491.4634 -3116.2806 -2293.5591
ENERGY: 432 21768.3704 20188.6725 5710.3547 168.1086 -338651.2111 23176.0847 0.0000 0.0000 45177.9915 -222461.6286 164.3451 -267639.6201 -222065.9059 164.3451 -3350.2744 -2296.1498 921491.4634 -3350.2744 -2296.1498
ENERGY: 433 21200.9074 20275.9665 5710.3763 168.4633 -338164.0648 23162.2912 0.0000 0.0000 45192.9288 -222453.1312 164.3995 -267646.0600 -222052.5983 164.3995 -3187.3736 -2272.1277 921491.4634 -3187.3736 -2272.1277
ENERGY: 434 20730.3415 20338.1501 5711.6061 169.3247 -337394.2715 23140.7737 0.0000 0.0000 44883.1002 -222420.9752 163.2724 -267304.0754 -222051.1463 163.2724 -2694.3111 -2227.7885 921491.4634 -2694.3111 -2227.7885
ENERGY: 435 20235.2202 20362.4016 5714.0003 170.8455 -336680.6565 23123.4100 0.0000 0.0000 44675.9844 -222398.7945 162.5190 -267074.7789 -222049.5889 162.5190 -2061.3584 -2179.8951 921491.4634 -2061.3584 -2179.8951
ENERGY: 436 19670.9243 20349.9982 5717.2345 173.0864 -336303.8819 23119.9080 0.0000 0.0000 44847.0988 -222425.6317 163.1414 -267272.7304 -222059.6959 163.1414 -1520.6597 -2145.1616 921491.4634 -1520.6597 -2145.1616
ENERGY: 437 19434.5516 20329.5093 5720.9894 175.9827 -336411.9790 23136.3871 0.0000 0.0000 45159.2690 -222455.2900 164.2770 -267614.5590 -222050.7502 164.2770 -1319.1166 -2134.4848 921491.4634 -1319.1166 -2134.4848
ENERGY: 438 19935.1531 20278.6097 5724.6884 179.3848 -336899.4580 23173.5522 0.0000 0.0000 45148.1324 -222459.9373 164.2365 -267608.0697 -222051.5668 164.2365 -1493.0938 -2145.0880 921491.4634 -1493.0938 -2145.0880
ENERGY: 439 21052.7405 20184.4298 5727.7929 183.0561 -337561.7720 23224.7485 0.0000 0.0000 44760.8210 -222428.1832 162.8276 -267189.0042 -222052.7965 162.8276 -1936.1985 -2169.8746 921491.4634 -1936.1985 -2169.8746
TIMING: 440 CPU: 207.209, 0.458551/step Wall: 207.209, 0.458551/step, 0.00764251 hours remaining, 3223.953125 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 22071.5681 20036.2373 5729.7527 186.7201 -338123.1808 23276.2489 0.0000 0.0000 44417.5457 -222405.1080 161.5788 -266822.6536 -222059.4773 161.5788 -2408.4610 -2197.9670 921491.4634 -2408.4610 -2197.9670
ENERGY: 441 22355.5485 19860.0410 5730.3488 190.1145 -338361.1716 23313.2047 0.0000 0.0000 44502.6961 -222409.2180 161.8886 -266911.9140 -222050.0861 161.8886 -2716.1027 -2221.5313 921491.4634 -2716.1027 -2221.5313
ENERGY: 442 21853.6119 19664.5349 5729.4854 192.9411 -338090.1533 23327.1570 0.0000 0.0000 44880.6316 -222441.7914 163.2634 -267322.4230 -222049.7756 163.2634 -2710.5577 -2229.0695 921491.4634 -2710.5577 -2229.0695
ENERGY: 443 21064.3318 19487.0721 5727.6164 194.9329 -337369.3150 23320.0160 0.0000 0.0000 45118.1103 -222457.2355 164.1273 -267575.3457 -222048.5996 164.1273 -2448.1650 -2220.3530 921491.4634 -2448.1650 -2220.3530
ENERGY: 444 20449.3365 19357.2687 5725.4095 195.8734 -336464.1921 23301.5278 0.0000 0.0000 44987.7173 -222447.0588 163.6530 -267434.7761 -222057.9797 163.6530 -2090.2100 -2206.4398 921491.4634 -2090.2100 -2206.4398
ENERGY: 445 20125.5609 19307.2514 5723.6513 195.6942 -335759.3911 23283.8140 0.0000 0.0000 44708.7152 -222414.7041 162.6380 -267123.4194 -222046.5428 162.6380 -1846.9626 -2201.6924 921491.4634 -1846.9626 -2201.6924
ENERGY: 446 19947.6804 19324.9002 5722.5430 194.3235 -335494.5705 23276.0452 0.0000 0.0000 44620.2943 -222408.7839 162.3164 -267029.0782 -222046.1620 162.3164 -1800.7516 -2216.7292 921491.4634 -1800.7516 -2216.7292
ENERGY: 447 19914.2848 19416.0207 5722.2107 191.8641 -335769.4396 23282.7459 0.0000 0.0000 44816.5085 -222425.8050 163.0301 -267242.3134 -222046.8343 163.0301 -1993.3109 -2253.0601 921491.4634 -1993.3109 -2253.0601
ENERGY: 448 20187.5921 19583.6798 5722.5764 188.5554 -336503.1796 23303.8905 0.0000 0.0000 45065.6671 -222451.2184 163.9365 -267516.8854 -222059.3479 163.9365 -2372.1875 -2303.7898 921491.4634 -2372.1875 -2303.7898
ENERGY: 449 20877.4058 19832.6985 5723.5712 184.8596 -337500.9068 23334.5923 0.0000 0.0000 45101.1675 -222446.6117 164.0657 -267547.7793 -222047.7097 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 -338419.3248 23364.6243 0.0000 0.0000 44854.3095 -222432.2084 163.1677 -267286.5180 -222048.7859 163.1677 -3116.6755 -2394.3896 921491.4634 -3116.6755 -2394.3896
ENERGY: 451 22355.5902 20357.7256 5724.7144 177.6516 -338952.0910 23381.8007 0.0000 0.0000 44542.6987 -222411.9098 162.0341 -266954.6085 -222048.8244 162.0341 -3074.2533 -2405.7797 921491.4634 -3074.2533 -2405.7797
ENERGY: 452 22246.2017 20536.0135 5723.8953 174.8859 -338927.1542 23378.0944 0.0000 0.0000 44452.9197 -222415.1438 161.7075 -266868.0635 -222059.6368 161.7075 -2659.9607 -2384.7568 921491.4634 -2659.9607 -2384.7568
ENERGY: 453 21399.8729 20641.1313 5722.2878 173.1350 -338392.7942 23354.5908 0.0000 0.0000 44683.7035 -222418.0728 162.5470 -267101.7763 -222043.5370 162.5470 -2048.3341 -2342.4668 921491.4634 -2048.3341 -2342.4668
ENERGY: 454 20248.3384 20654.1376 5720.2217 172.3637 -337567.1425 23320.6902 0.0000 0.0000 45008.1469 -222443.2440 163.7273 -267451.3908 -222041.8389 163.7273 -1453.4581 -2293.1450 921491.4634 -1453.4581 -2293.1450
ENERGY: 455 19486.7909 20584.7123 5718.4844 172.5169 -336790.6463 23290.4024 0.0000 0.0000 45086.5793 -222451.1601 164.0126 -267537.7395 -222040.8568 164.0126 -1151.8825 -2255.8571 921491.4634 -1151.8825 -2255.8571
ENERGY: 456 19493.3723 20440.6803 5717.7556 173.4248 -336350.1084 23274.9632 0.0000 0.0000 44811.4730 -222438.4391 163.0118 -267249.9121 -222055.3482 163.0118 -1305.5003 -2245.5822 921491.4634 -1305.5003 -2245.5822
ENERGY: 457 20047.4930 20251.9438 5718.5580 174.9241 -336395.8172 23277.8276 0.0000 0.0000 44521.8709 -222403.1998 161.9583 -266925.0707 -222049.4128 161.9583 -1906.4162 -2263.5011 921491.4634 -1906.4162 -2263.5011
ENERGY: 458 20585.8435 20019.2726 5720.7061 176.6081 -336835.0965 23294.7174 0.0000 0.0000 44632.7893 -222405.1595 162.3618 -267037.9488 -222051.2818 162.3618 -2684.6984 -2301.0425 921491.4634 -2684.6984 -2301.0425
ENERGY: 459 20903.4944 19784.9693 5724.0021 178.1984 -337468.1648 23318.6985 0.0000 0.0000 45113.9372 -222444.8648 164.1121 -267558.8021 -222053.1407 164.1121 -3350.5828 -2341.5794 921491.4634 -3350.5828 -2341.5794
TIMING: 460 CPU: 216.381, 0.458593/step Wall: 216.381, 0.458593/step, 0.00509548 hours remaining, 3223.953125 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 21262.6138 19597.9066 5728.0971 179.4910 -338014.3777 23341.8004 0.0000 0.0000 45423.8571 -222480.6117 165.2395 -267904.4688 -222064.6836 165.2395 -3669.8202 -2365.2413 921491.4634 -3669.8202 -2365.2413
ENERGY: 461 21862.8764 19507.1076 5732.5753 180.4333 -338251.6226 23355.3938 0.0000 0.0000 45154.6142 -222458.6220 164.2601 -267613.2363 -222058.0508 164.2601 -3556.1667 -2361.1800 921491.4634 -3556.1667 -2361.1800
ENERGY: 462 22264.2259 19487.8108 5736.4822 180.9531 -337988.7180 23351.1089 0.0000 0.0000 44559.9295 -222408.2075 162.0968 -266968.1370 -222056.7215 162.0968 -2954.8202 -2323.4251 921491.4634 -2954.8202 -2323.4251
ENERGY: 463 21821.1795 19513.9014 5738.9361 181.1160 -337284.1038 23326.9481 0.0000 0.0000 44313.4574 -222388.5653 161.2002 -266702.0227 -222054.6243 161.2002 -2012.4426 -2264.0778 921491.4634 -2012.4426 -2264.0778
ENERGY: 464 20535.2463 19559.9270 5739.2518 181.0096 -336389.3846 23291.1945 0.0000 0.0000 44654.0271 -222428.7283 162.4391 -267082.7554 -222058.5728 162.4391 -1050.9227 -2205.5267 921491.4634 -1050.9227 -2205.5267
ENERGY: 465 19322.7828 19631.8851 5737.2899 180.7155 -335701.1538 23259.7395 0.0000 0.0000 45094.5691 -222474.1719 164.0416 -267568.7410 -222052.9387 164.0416 -512.3346 -2174.4007 921491.4634 -512.3346 -2174.4007
ENERGY: 466 19088.4511 19708.3579 5733.2107 180.2808 -335443.7727 23245.0608 0.0000 0.0000 45020.7909 -222467.6205 163.7733 -267488.4115 -222052.9784 163.7733 -630.3312 -2182.6709 921491.4634 -630.3312 -2182.6709
ENERGY: 467 19841.8070 19783.1741 5727.6704 179.7757 -335721.0951 23249.4534 0.0000 0.0000 44523.6664 -222415.5481 161.9649 -266939.2145 -222054.3494 161.9649 -1393.6027 -2232.5922 921491.4634 -1393.6027 -2232.5922
ENERGY: 468 20761.8481 19845.4942 5721.5089 179.2779 -336451.5665 23265.8130 0.0000 0.0000 44291.6584 -222385.9660 161.1209 -266677.6244 -222056.3588 161.1209 -2508.6710 -2314.1337 921491.4634 -2508.6710 -2314.1337
ENERGY: 469 21236.3013 19910.2022 5715.6824 178.8504 -337458.3202 23284.3967 0.0000 0.0000 44720.3203 -222412.5670 162.6802 -267132.8872 -222046.0747 162.6802 -3596.7402 -2405.7970 921491.4634 -3596.7402 -2405.7970
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1729 19972.8936 5710.9491 178.5947 -338383.2510 23297.0678 0.0000 0.0000 45346.4575 -222466.1154 164.9579 -267812.5729 -222047.6086 164.9579 -4259.6993 -2477.6829 921491.4634 -4259.6993 -2477.6829
ENERGY: 471 21732.8679 20054.6837 5707.9626 178.5890 -338913.2458 23297.5091 0.0000 0.0000 45471.3367 -222470.2968 165.4122 -267941.6335 -222047.5357 165.4122 -4290.5682 -2504.3173 921491.4634 -4290.5682 -2504.3173
ENERGY: 472 22081.2364 20161.5554 5707.0091 178.9047 -338870.6779 23279.4497 0.0000 0.0000 45028.5296 -222433.9929 163.8014 -267462.5225 -222059.5058 163.8014 -3659.7362 -2479.9184 921491.4634 -3659.7362 -2479.9184
ENERGY: 473 21866.1365 20289.3429 5707.9843 179.6165 -338307.7205 23240.7370 0.0000 0.0000 44634.5175 -222389.3859 162.3681 -267023.9033 -222043.8539 162.3681 -2556.3617 -2408.1657 921491.4634 -2556.3617 -2408.1657
ENERGY: 474 20842.9704 20372.0990 5710.2160 180.7466 -337438.4567 23189.2355 0.0000 0.0000 44733.2310 -222409.9582 162.7272 -267143.1891 -222041.2619 162.7272 -1295.5525 -2316.2728 921491.4634 -1295.5525 -2316.2728
ENERGY: 475 19674.2080 20371.7678 5712.9876 182.2512 -336604.2327 23142.3824 0.0000 0.0000 45070.2142 -222450.4216 163.9531 -267520.6358 -222039.4530 163.9531 -344.6449 -2232.2126 921491.4634 -344.6449 -2232.2126
ENERGY: 476 19235.7863 20282.0279 5715.7683 184.0125 -336100.0918 23115.8473 0.0000 0.0000 45106.0633 -222460.5863 164.0835 -267566.6496 -222053.6139 164.0835 -92.4049 -2183.0653 921491.4634 -92.4049 -2183.0653
ENERGY: 477 19704.7251 20145.9818 5718.4976 185.9230 -336101.8803 23114.2945 0.0000 0.0000 44812.3206 -222420.1376 163.0149 -267232.4582 -222044.8413 163.0149 -667.4946 -2171.8229 921491.4634 -667.4946 -2171.8229
ENERGY: 478 20493.4777 19974.7642 5721.0254 187.7262 -336537.4047 23131.2465 0.0000 0.0000 44627.0331 -222402.1316 162.3409 -267029.1647 -222047.4108 162.3409 -1807.1604 -2198.7957 921491.4634 -1807.1604 -2198.7957
ENERGY: 479 21125.3056 19793.3959 5723.3295 189.2099 -337215.5847 23156.6777 0.0000 0.0000 44802.1577 -222425.5084 162.9779 -267227.6661 -222050.5461 162.9779 -3089.8516 -2246.7918 921491.4634 -3089.8516 -2246.7918
TIMING: 480 CPU: 225.553, 0.458619/step Wall: 225.553, 0.458619/step, 0.00254788 hours remaining, 3223.953125 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 21624.0326 19623.1966 5725.3111 190.1901 -337854.6786 23181.5122 0.0000 0.0000 45051.6814 -222458.7546 163.8856 -267510.4361 -222064.6206 163.8856 -4077.7325 -2291.4890 921491.4634 -4077.7325 -2291.4890
ENERGY: 481 22092.4855 19510.0433 5727.0953 190.6351 -338199.2480 23196.7963 0.0000 0.0000 45041.3367 -222440.8559 163.8480 -267482.1926 -222052.5261 163.8480 -4466.2393 -2305.6731 921491.4634 -4466.2393 -2305.6731
ENERGY: 482 22186.3470 19466.6792 5728.4964 190.3598 -338044.5416 23192.7477 0.0000 0.0000 44865.8518 -222414.0596 163.2096 -267279.9114 -222051.4108 163.2096 -4059.3097 -2278.0613 921491.4634 -4059.3097 -2278.0613
ENERGY: 483 21553.1415 19511.5742 5729.5660 189.3227 -337426.2182 23165.8743 0.0000 0.0000 44861.8969 -222414.8425 163.1953 -267276.7394 -222048.7668 163.1953 -2964.1721 -2216.4114 921491.4634 -2964.1721 -2216.4114
ENERGY: 484 20460.8925 19631.1936 5730.2465 187.5455 -336590.8880 23126.1354 0.0000 0.0000 45003.6033 -222451.2712 163.7107 -267454.8745 -222059.8737 163.7107 -1565.2423 -2143.1848 921491.4634 -1565.2423 -2143.1848
ENERGY: 485 19688.7719 19800.2989 5730.5256 185.2458 -335902.5861 23092.8472 0.0000 0.0000 44955.5727 -222449.3241 163.5360 -267404.8967 -222045.9601 163.5360 -422.1566 -2086.8733 921491.4634 -422.1566 -2086.8733
ENERGY: 486 19602.5426 19954.8174 5729.7198 182.4662 -335612.3563 23080.3809 0.0000 0.0000 44645.9117 -222416.5176 162.4096 -267062.4294 -222044.6755 162.4096 87.3184 -2070.0980 921491.4634 87.3184 -2070.0980
ENERGY: 487 19881.0926 20072.0212 5727.4348 179.4360 -335846.4478 23091.0546 0.0000 0.0000 44503.3494 -222392.0594 161.8910 -266895.4088 -222045.2402 161.8910 -192.2343 -2106.8838 921491.4634 -192.2343 -2106.8838
ENERGY: 488 20125.2098 20156.1361 5723.5441 176.4338 -336552.5454 23118.8618 0.0000 0.0000 44827.0559 -222425.3038 163.0685 -267252.3598 -222057.1936 163.0685 -1145.7533 -2194.6679 921491.4634 -1145.7533 -2194.6679
ENERGY: 489 20526.8870 20236.4610 5718.5749 173.8639 -337540.4659 23156.7312 0.0000 0.0000 45266.1010 -222461.8470 164.6656 -267727.9480 -222045.6082 164.6656 -2511.2403 -2316.7066 921491.4634 -2511.2403 -2316.7066
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 20292.9023 5712.8912 171.8438 -338458.1368 23196.4879 0.0000 0.0000 45213.5636 -222459.6990 164.4745 -267673.2626 -222048.2205 164.4745 -3823.4038 -2437.4154 921491.4634 -3823.4038 -2437.4154
ENERGY: 491 22430.4642 20312.1363 5707.3795 170.5404 -338984.5804 23226.0939 0.0000 0.0000 44733.0096 -222404.9565 162.7264 -267137.9661 -222049.4635 162.7264 -4629.6934 -2524.6214 921491.4634 -4629.6934 -2524.6214
ENERGY: 492 22612.9551 20289.6814 5702.9945 170.0207 -338937.5830 23232.7207 0.0000 0.0000 44542.1957 -222387.0149 162.0323 -266929.2105 -222060.3858 162.0323 -4606.8524 -2557.4729 921491.4634 -4606.8524 -2557.4729
ENERGY: 493 21558.2191 20260.7378 5700.7779 170.3200 -338358.0649 23214.0539 0.0000 0.0000 45033.8236 -222420.1324 163.8207 -267453.9560 -222046.5899 163.8207 -3796.3819 -2540.0995 921491.4634 -3796.3819 -2540.0995
ENERGY: 494 20068.3367 20225.0265 5700.9806 171.2193 -337454.3850 23183.0798 0.0000 0.0000 45622.2483 -222483.4937 165.9612 -268105.7421 -222044.0866 165.9612 -2500.8992 -2482.1067 921491.4634 -2500.8992 -2482.1067
ENERGY: 495 19383.2463 20186.8305 5703.5926 172.5416 -336566.9900 23159.4629 0.0000 0.0000 45484.1238 -222477.1923 165.4587 -267961.3162 -222041.5561 165.4587 -1249.6836 -2407.3055 921491.4634 -1249.6836 -2407.3055
ENERGY: 496 19722.4835 20130.6475 5708.0350 174.0933 -335998.7169 23154.2640 0.0000 0.0000 44699.5276 -222409.6659 162.6046 -267109.1935 -222049.0670 162.6046 -478.8996 -2343.4750 921491.4634 -478.8996 -2343.4750
ENERGY: 497 20212.6668 20059.9178 5713.4613 175.7242 -335952.5054 23166.3550 0.0000 0.0000 44261.0293 -222363.3510 161.0095 -266624.3803 -222042.7500 161.0095 -421.0231 -2316.7927 921491.4634 -421.0231 -2316.7927
ENERGY: 498 20182.0163 19957.1216 5718.5597 177.2604 -336366.4943 23189.3590 0.0000 0.0000 44728.2541 -222413.9233 162.7091 -267142.1773 -222044.5219 162.7091 -993.4677 -2331.6472 921491.4634 -993.4677 -2331.6472
ENERGY: 499 20158.0676 19847.7308 5722.4090 178.6361 -337058.4834 23219.2410 0.0000 0.0000 45439.2651 -222493.1339 165.2956 -267932.3990 -222047.2062 165.2956 -2020.8685 -2376.3389 921491.4634 -2020.8685 -2376.3389
Info: Benchmark time: 4 CPUs 0.457827 s/step 5.29893 days/ns 3223.95 MB memory
TIMING: 500 CPU: 234.643, 0.454461/step Wall: 234.643, 0.454461/step, 0 hours remaining, 3223.953125 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 20974.8937 19756.6582 5724.4523 179.8271 -337741.4202 23251.1015 0.0000 0.0000 45359.0784 -222495.4090 165.0039 -267854.4873 -222061.0908 165.0039 -3197.5165 -2425.4139 921491.4634 -3197.5165 -2425.4139
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: 241.652878 CPUTime: 241.652878 Memory: 3229.566406 MB
[Partition 0][Node 0] End of program
Application 1109749 resources: utime ~949s, stime ~19s, Rss ~126688, inblocks ~66551, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.652878
CPU=241.652878
MEM=3229.566406
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 13 22:50 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 13 22:50 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 13 22:50 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 13 22:49 status
-rwxr-xr-x 1 bwjenkins BW_System 189500 Dec 13 22:49 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 13 22:45 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 13 22:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 13 22:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 13 22:22 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 13 22:22 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 13 22:22 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 13 22:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 13 22:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 13 22:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 13 22:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 13 22:21 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/jenkins2949551831209327083.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}
