Skipping 718 KB..
Full Log
ENERGY: 86 22361.2996 19720.3241 5758.5583 173.6091 -332514.8438 22921.5213 0.0000 0.0000 39480.2341 -222099.2974 143.6182 -261579.5315 -222396.4729 143.6182 -1408.4308 -1992.0456 921491.4634 -1408.4308 -1992.0456
ENERGY: 87 21898.5873 20858.8152 5750.7775 172.4431 -333299.4428 22859.7331 0.0000 0.0000 39513.3018 -222245.7848 143.7385 -261759.0865 -222398.3223 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 42007.3338 -222559.1199 152.8111 -264566.4537 -222408.9128 152.8111 -2036.3959 -2043.8955 921491.4634 -2036.3959 -2043.8955
ENERGY: 89 20138.2922 20745.5546 5719.3133 176.3160 -335202.8321 22743.6989 0.0000 0.0000 43113.7496 -222565.9075 156.8360 -265679.6571 -222389.0013 156.8360 -2409.8247 -2071.1686 921491.4634 -2409.8247 -2071.1686
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 90 22711.6048 19691.0676 5699.8921 181.1111 -335712.1130 22705.2746 0.0000 0.0000 42377.6757 -222345.4870 154.1583 -264723.1628 -222389.2092 154.1583 -2670.9832 -2080.5818 921491.4634 -2670.9832 -2080.5818
ENERGY: 91 23737.5988 18627.1145 5683.0577 187.2277 -335678.4156 22643.5819 0.0000 0.0000 42539.3829 -222260.4521 154.7466 -264799.8350 -222388.3580 154.7466 -2499.0954 -2078.8098 921491.4634 -2499.0954 -2078.8098
ENERGY: 92 21523.8221 18060.4536 5672.6738 194.0387 -335129.0785 22543.7115 0.0000 0.0000 44665.3078 -222469.0710 162.4801 -267134.3788 -222389.6060 162.4801 -1910.9684 -2078.9076 921491.4634 -1910.9684 -2078.9076
ENERGY: 93 18788.3598 18281.5994 5671.3717 200.9119 -334319.2924 22433.7892 0.0000 0.0000 46311.8833 -222631.3772 168.4699 -268943.2605 -222367.8862 168.4699 -1385.1719 -2068.2566 921491.4634 -1385.1719 -2068.2566
ENERGY: 94 18530.9328 19242.9914 5679.4418 207.1113 -333693.3061 22351.2077 0.0000 0.0000 45144.9171 -222536.7041 164.2248 -267681.6212 -222367.0866 164.2248 -1347.2601 -2063.4576 921491.4634 -1347.2601 -2063.4576
ENERGY: 95 20040.4585 20654.3436 5695.3527 212.0382 -333603.6978 22302.2586 0.0000 0.0000 42387.6997 -222311.5464 154.1948 -264699.2461 -222367.4635 154.1948 -1793.7082 -2083.6408 921491.4634 -1793.7082 -2083.6408
ENERGY: 96 20584.1064 22050.3788 5716.0483 215.1945 -334091.8993 22265.7317 0.0000 0.0000 40970.7076 -222289.7319 149.0402 -263260.4395 -222356.3663 149.0402 -2389.6990 -2142.8256 921491.4634 -2389.6990 -2142.8256
ENERGY: 97 19809.1309 22949.2011 5737.7476 216.2279 -334886.9642 22225.8322 0.0000 0.0000 41505.2397 -222443.5848 150.9847 -263948.8244 -222346.5818 150.9847 -2891.9374 -2214.1666 921491.4634 -2891.9374 -2214.1666
ENERGY: 98 19979.7556 22958.8353 5756.3117 214.8681 -335616.8433 22188.2114 0.0000 0.0000 41993.4226 -222525.4385 152.7605 -264518.8611 -222347.6401 152.7605 -3206.5490 -2272.3421 921491.4634 -3206.5490 -2272.3421
ENERGY: 99 22029.8951 22024.0796 5768.5777 211.0972 -336009.8231 22159.4702 0.0000 0.0000 41425.1768 -222391.5266 150.6934 -263816.7034 -222348.0707 150.6934 -3235.8098 -2296.7688 921491.4634 -3235.8098 -2296.7688
LDB: ============= START OF LOAD BALANCING ============== 54.4894
LDB: Largest compute 200 load 0.430397 is 1.2% of average load 36.735012
LDB: Average compute 0.051458 is 0.1% of average load 36.735012
LDB: Partitioning computes with target load 3.673501
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055482
LDB: ============== END OF LOAD BALANCING =============== 54.4915
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.4924
Info: Initial time: 4 CPUs 0.472961 s/step 5.47408 days/ns 3221.52 MB memory
TIMING: 100 CPU: 48.2664, 0.471947/step Wall: 48.2664, 0.471947/step, 0.0524385 hours remaining, 3221.519531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 100 23587.3020 20475.3729 5773.0376 205.1509 -335896.4623 22125.7987 0.0000 0.0000 41455.8050 -222273.9952 150.8048 -263729.8002 -222326.1727 150.8048 -2788.3919 -2294.3880 921491.4634 -2788.3919 -2294.3880
ENERGY: 101 22287.2999 18933.8501 5770.3900 197.5201 -335238.2413 22065.3980 0.0000 0.0000 43590.2955 -222393.4876 158.5695 -265983.7831 -222319.4708 158.5695 -1880.2673 -2262.6846 921491.4634 -1880.2673 -2262.6846
ENERGY: 102 19420.3335 17951.6560 5762.8059 188.8891 -334088.2234 21980.7896 0.0000 0.0000 46153.7217 -222630.0275 167.8946 -268783.7492 -222317.3983 167.8946 -924.5795 -2215.2271 921491.4634 -924.5795 -2215.2271
ENERGY: 103 18429.6588 17794.2509 5753.5002 180.0833 -332765.4445 21898.9792 0.0000 0.0000 46061.5884 -222647.3836 167.5594 -268708.9720 -222315.0117 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 43114.8219 -222397.0748 156.8399 -265511.8967 -222300.0343 156.8399 -904.7452 -2132.5694 921491.4634 -904.7452 -2132.5694
ENERGY: 105 21674.8147 19112.5118 5740.5773 165.3638 -331353.5903 21791.8563 0.0000 0.0000 40663.3131 -222205.1533 147.9220 -262868.4664 -222297.2862 147.9220 -1781.0302 -2140.0925 921491.4634 -1781.0302 -2140.0925
ENERGY: 106 20688.3526 19760.1602 5739.0355 160.9482 -331684.6910 21743.4749 0.0000 0.0000 41270.8907 -222321.8289 150.1322 -263592.7196 -222299.8103 150.1322 -2687.8655 -2192.8737 921491.4634 -2687.8655 -2192.8737
ENERGY: 107 18828.1851 20041.3659 5739.7936 159.1631 -332486.5659 21693.8616 0.0000 0.0000 43452.4229 -222571.7736 158.0680 -266024.1965 -222302.3924 158.0680 -3435.4055 -2264.9714 921491.4634 -3435.4055 -2264.9714
ENERGY: 108 19374.7527 19955.6334 5740.9974 160.1493 -333435.9263 21654.4583 0.0000 0.0000 43952.1727 -222597.7626 159.8859 -266549.9353 -222305.0565 159.8859 -3989.5483 -2325.7046 921491.4634 -3989.5483 -2325.7046
ENERGY: 109 22394.0521 19651.8555 5740.7059 163.7566 -334323.6678 21623.9120 0.0000 0.0000 42380.9037 -222368.4821 154.1701 -264749.3858 -222289.2483 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 -334907.1600 21583.6717 0.0000 0.0000 41568.0397 -222222.9600 151.2131 -263790.9997 -222288.3778 151.2131 -3608.1963 -2356.1915 921491.4634 -3608.1963 -2356.1915
ENERGY: 111 22660.5937 19186.3867 5728.6091 176.9885 -335028.8261 21518.8536 0.0000 0.0000 43385.4033 -222371.9911 157.8242 -265757.3944 -222286.8997 157.8242 -2331.3778 -2338.2312 921491.4634 -2331.3778 -2338.2312
ENERGY: 112 19381.8200 19463.5169 5716.4074 185.3624 -334677.6375 21440.9489 0.0000 0.0000 45860.8184 -222628.7635 166.8291 -268489.5819 -222302.4569 166.8291 -894.2293 -2309.1963 921491.4634 -894.2293 -2309.1963
ENERGY: 113 18216.1581 20180.8084 5702.4491 194.0323 -334046.4826 21376.2232 0.0000 0.0000 45761.5815 -222615.2301 166.4681 -268376.8116 -222273.7402 166.4681 -55.6425 -2273.8625 921491.4634 -55.6425 -2273.8625
ENERGY: 114 19843.9971 21062.4095 5689.3793 202.2945 -333472.4289 21337.7637 0.0000 0.0000 42964.6870 -222371.8978 156.2937 -265336.5848 -222272.2453 156.2937 -128.5963 -2261.6571 921491.4634 -128.5963 -2261.6571
ENERGY: 115 21448.4484 21679.6563 5680.2429 209.5308 -333239.9680 21316.4507 0.0000 0.0000 40710.1056 -222195.5333 148.0922 -262905.6388 -222272.7007 148.0922 -905.3247 -2296.5621 921491.4634 -905.3247 -2296.5621
ENERGY: 116 20838.2582 21694.4197 5677.2615 215.2237 -333429.0368 21301.4964 0.0000 0.0000 41385.0930 -222317.2843 150.5476 -263702.3773 -222276.5257 150.5476 -2000.5238 -2380.1423 921491.4634 -2000.5238 -2380.1423
ENERGY: 117 19309.7303 21105.1713 5681.4214 219.0426 -333858.2254 21295.0741 0.0000 0.0000 43733.0002 -222514.7855 159.0886 -266247.7856 -222254.7025 159.0886 -3196.9892 -2479.5443 921491.4634 -3196.9892 -2479.5443
ENERGY: 118 19488.7485 20180.1712 5691.5867 220.7069 -334305.8418 21303.6951 0.0000 0.0000 44852.5144 -222568.4191 163.1611 -267420.9334 -222257.5958 163.1611 -4287.8518 -2560.8626 921491.4634 -4287.8518 -2560.8626
ENERGY: 119 21608.8170 19327.4369 5705.7183 220.1523 -334582.5767 21318.6507 0.0000 0.0000 43971.5398 -222430.2618 159.9564 -266401.8015 -222258.7220 159.9564 -4948.0951 -2603.4635 921491.4634 -4948.0951 -2603.4635
LDB: ============= START OF LOAD BALANCING ============== 63.9137
LDB: ============== END OF LOAD BALANCING =============== 63.9137
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.9142
TIMING: 120 CPU: 57.6872, 0.47104/step Wall: 57.6872, 0.47104/step, 0.0497209 hours remaining, 3221.781250 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 120 23278.7483 18843.5008 5721.1112 217.5091 -334559.3218 21317.8986 0.0000 0.0000 42838.0030 -222342.5510 155.8329 -265180.5539 -222260.9693 155.8329 -4802.3839 -2609.8232 921491.4634 -4802.3839 -2609.8232
ENERGY: 121 22753.8286 18833.9838 5735.1155 213.1885 -334109.3885 21287.1663 0.0000 0.0000 42902.9082 -222383.1975 156.0690 -265286.1057 -222238.8455 156.0690 -3789.7329 -2573.0323 921491.4634 -3789.7329 -2573.0323
ENERGY: 122 20911.3204 19183.7909 5744.9150 207.6394 -333246.0908 21235.0875 0.0000 0.0000 43471.2678 -222492.0697 158.1365 -265963.3375 -222236.2048 158.1365 -2259.2351 -2503.9465 921491.4634 -2259.2351 -2503.9465
ENERGY: 123 19716.6566 19702.2259 5748.9495 201.5075 -332195.6662 21181.3172 0.0000 0.0000 43159.1486 -222485.8609 157.0011 -265645.0095 -222233.3015 157.0011 -827.7757 -2423.1751 921491.4634 -827.7757 -2423.1751
ENERGY: 124 19701.7330 20151.8500 5747.1965 195.4812 -331340.9822 21138.0467 0.0000 0.0000 42008.6529 -222398.0218 152.8159 -264406.6747 -222234.8510 152.8159 8.3516 -2371.2952 921491.4634 8.3516 -2371.2952
ENERGY: 125 19961.8489 20319.7041 5741.5018 190.2907 -331002.3873 21106.9631 0.0000 0.0000 41347.6159 -222334.4629 150.4113 -263682.0788 -222218.5353 150.4113 16.1240 -2370.5229 921491.4634 16.1240 -2370.5229
ENERGY: 126 19913.8781 20060.3739 5734.4100 186.3237 -331257.3385 21089.4917 0.0000 0.0000 41888.6055 -222384.2557 152.3792 -264272.8612 -222220.0405 152.3792 -757.3345 -2430.8872 921491.4634 -757.3345 -2430.8872
ENERGY: 127 20034.1247 19457.5517 5728.8730 183.8512 -331985.2679 21088.4979 0.0000 0.0000 43047.2720 -222445.0973 156.5941 -265492.3693 -222223.2519 156.5941 -2122.5054 -2533.3235 921491.4634 -2122.5054 -2533.3235
ENERGY: 128 20681.9268 18818.3077 5727.0308 182.9174 -332977.2827 21101.0436 0.0000 0.0000 44006.3125 -222459.7439 160.0829 -266466.0564 -222232.5708 160.0829 -3698.9566 -2655.1908 921491.4634 -3698.9566 -2655.1908
ENERGY: 129 21368.2886 18554.7975 5729.8505 183.4688 -333997.8251 21115.0501 0.0000 0.0000 44607.0894 -222439.2803 162.2683 -267046.3696 -222215.2567 162.2683 -4993.9821 -2763.9222 921491.4634 -4993.9821 -2763.9222
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 130 21553.6088 18898.7761 5736.4508 185.0194 -334776.0138 21118.0423 0.0000 0.0000 44811.1497 -222472.9668 163.0106 -267284.1165 -222216.5365 163.0106 -5536.0556 -2842.3154 921491.4634 -5536.0556 -2842.3154
ENERGY: 131 21530.9957 19804.6628 5745.0872 187.0957 -335083.2646 21105.7069 0.0000 0.0000 44221.5103 -222488.2060 160.8657 -266709.7163 -222215.1806 160.8657 -5164.7865 -2872.9598 921491.4634 -5164.7865 -2872.9598
ENERGY: 132 21696.5184 20951.9798 5753.4447 189.2233 -334841.7371 21081.3851 0.0000 0.0000 42732.1266 -222437.0592 155.4477 -265169.1858 -222222.8148 155.4477 -4015.6411 -2856.5554 921491.4634 -4015.6411 -2856.5554
ENERGY: 133 21569.7010 21939.4307 5759.4053 191.1377 -334187.7141 21049.8506 0.0000 0.0000 41346.5715 -222331.6173 150.4075 -263678.1888 -222209.0244 150.4075 -2436.6194 -2806.2334 921491.4634 -2436.6194 -2806.2334
ENERGY: 134 20380.1719 22407.7423 5761.0449 192.4922 -333420.8527 21018.0949 0.0000 0.0000 41320.1608 -222341.1457 150.3114 -263661.3065 -222206.0449 150.3114 -846.9781 -2759.4268 921491.4634 -846.9781 -2759.4268
ENERGY: 135 18735.1492 22221.9402 5757.7067 193.2251 -332860.3442 20999.0422 0.0000 0.0000 42497.1276 -222456.1532 154.5929 -264953.2808 -222204.4872 154.5929 191.9084 -2745.1433 921491.4634 191.9084 -2745.1433
ENERGY: 136 18381.4539 21453.0793 5750.0867 193.4037 -332655.7486 21006.3295 0.0000 0.0000 43348.3539 -222523.0418 157.6894 -265871.3957 -222211.0693 157.6894 198.1852 -2776.3543 921491.4634 198.1852 -2776.3543
ENERGY: 137 19975.5715 20347.8314 5740.3098 193.2572 -332832.5917 21040.1067 0.0000 0.0000 43092.4468 -222443.0683 156.7585 -265535.5151 -222209.8938 156.7585 -927.2502 -2841.0685 921491.4634 -927.2502 -2841.0685
ENERGY: 138 21874.8524 19195.4801 5730.8549 192.8766 -333203.4342 21083.5324 0.0000 0.0000 42784.9638 -222340.8739 155.6399 -265125.8377 -222213.1815 155.6399 -2704.7054 -2927.3525 921491.4634 -2704.7054 -2927.3525
ENERGY: 139 22116.0296 18330.1124 5724.2506 192.4679 -333575.3361 21115.6333 0.0000 0.0000 43705.6788 -222391.1636 158.9892 -266096.8424 -222217.3489 158.9892 -4443.4107 -3015.1528 921491.4634 -4443.4107 -3015.1528
TIMING: 140 CPU: 67.102, 0.470738/step Wall: 67.102, 0.470738/step, 0.0470738 hours remaining, 3221.910156 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 17997.1576 5722.1741 192.2140 -333726.9441 21127.4061 0.0000 0.0000 45144.2513 -222551.1433 164.2224 -267695.3946 -222224.0362 164.2224 -5617.7628 -3080.3638 921491.4634 -5617.7628 -3080.3638
ENERGY: 141 20605.2149 18251.9194 5725.3083 192.2642 -333525.1323 21120.3060 0.0000 0.0000 45039.8863 -222590.2332 163.8427 -267630.1195 -222215.3920 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 42868.0673 -222428.9963 155.9422 -265297.0636 -222213.3921 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 40797.9947 -222256.4224 148.4119 -263054.4171 -222209.6224 148.4119 -4179.8278 -2928.5086 921491.4634 -4179.8278 -2928.5086
ENERGY: 144 21007.3339 19787.0056 5755.2166 193.9151 -331097.8394 20965.2215 0.0000 0.0000 41087.3101 -222301.8365 149.4643 -263389.1467 -222194.0941 149.4643 -2265.2408 -2825.3503 921491.4634 -2265.2408 -2825.3503
ENERGY: 145 18390.7599 19760.7601 5765.7577 194.6436 -330692.1920 20892.9233 0.0000 0.0000 43191.0817 -222496.2656 157.1173 -265687.3473 -222180.9592 157.1173 -495.5028 -2742.5238 921491.4634 -495.5028 -2742.5238
ENERGY: 146 17494.3905 19517.0963 5773.0763 195.1974 -330883.4472 20850.7305 0.0000 0.0000 44468.0626 -222584.8937 161.7626 -267052.9562 -222180.0853 161.7626 380.5833 -2698.3695 921491.4634 380.5833 -2698.3695
ENERGY: 147 19349.0815 19284.4051 5776.1299 195.3841 -331633.2789 20843.7952 0.0000 0.0000 43729.9297 -222454.5534 159.0775 -266184.4831 -222180.7856 159.0775 12.4497 -2697.6200 921491.4634 12.4497 -2697.6200
ENERGY: 148 21731.1608 19240.1450 5775.1361 195.0156 -332748.3460 20852.0477 0.0000 0.0000 42647.1434 -222307.6973 155.1386 -264954.8407 -222173.9043 155.1386 -1313.5161 -2742.2255 921491.4634 -1313.5161 -2742.2255
ENERGY: 149 22154.0981 19476.6232 5771.6403 193.9272 -333952.9657 20853.5364 0.0000 0.0000 43165.2620 -222337.8786 157.0234 -265503.1406 -222149.8013 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 -334899.3756 20845.5771 0.0000 0.0000 44606.5897 -222515.5247 162.2665 -267122.1144 -222153.2668 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
ENERGY: 151 20656.1101 20586.9276 5763.7530 189.5631 -335303.4341 20835.7247 0.0000 0.0000 44710.6378 -222560.7178 162.6450 -267271.3555 -222155.1382 162.6450 -5407.8407 -2907.6330 921491.4634 -5407.8407 -2907.6330
ENERGY: 152 21757.0224 21203.4203 5761.8055 186.4838 -335072.1090 20820.7501 0.0000 0.0000 42914.6704 -222427.9565 156.1118 -265342.6269 -222175.0516 156.1118 -5552.0273 -2878.0875 921491.4634 -5552.0273 -2878.0875
ENERGY: 153 22396.4537 21618.6023 5761.5688 183.0547 -334307.6862 20787.1625 0.0000 0.0000 41296.2810 -222264.5633 150.2245 -263560.8442 -222152.0205 150.2245 -4765.4777 -2800.4121 921491.4634 -4765.4777 -2800.4121
ENERGY: 154 20952.1343 21640.3347 5761.9239 179.5647 -333344.9137 20735.3659 0.0000 0.0000 41746.1291 -222329.4610 151.8609 -264075.5901 -222148.7917 151.8609 -3178.1874 -2707.3605 921491.4634 -3178.1874 -2707.3605
ENERGY: 155 18734.5491 21249.5940 5761.4993 176.3183 -332564.0956 20691.4724 0.0000 0.0000 43448.4574 -222502.2052 158.0535 -265950.6626 -222145.9855 158.0535 -1408.3063 -2623.9032 921491.4634 -1408.3063 -2623.9032
ENERGY: 156 18312.4484 20599.9073 5758.8570 173.6450 -332218.9147 20684.3830 0.0000 0.0000 44137.5522 -222552.1219 160.5603 -266689.6741 -222166.8049 160.5603 -219.5094 -2571.5313 921491.4634 -219.5094 -2571.5313
ENERGY: 157 20043.0837 19943.2665 5753.0947 171.8900 -332363.0658 20715.7865 0.0000 0.0000 43325.6933 -222410.2511 157.6070 -265735.9445 -222155.5010 157.6070 -38.8542 -2554.7665 921491.4634 -38.8542 -2554.7665
ENERGY: 158 21695.0846 19425.3238 5743.5667 171.3409 -332829.8101 20761.5805 0.0000 0.0000 42713.6820 -222319.2316 155.3806 -265032.9136 -222157.3221 155.3806 -715.5934 -2586.7969 921491.4634 -715.5934 -2586.7969
ENERGY: 159 21695.6535 19084.6408 5730.9315 172.1899 -333376.4005 20800.7930 0.0000 0.0000 43483.6005 -222408.5914 158.1814 -265892.1918 -222160.0970 158.1814 -1882.1012 -2660.7875 921491.4634 -1882.1012 -2660.7875
TIMING: 160 CPU: 76.5059, 0.470195/step Wall: 76.5059, 0.470195/step, 0.0444073 hours remaining, 3222.203125 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 18859.3044 5717.0749 174.4916 -333735.9155 20833.5472 0.0000 0.0000 44515.8596 -222542.3534 161.9365 -267058.2131 -222175.6788 161.9365 -3202.8706 -2752.7604 921491.4634 -3202.8706 -2752.7604
ENERGY: 161 21561.6003 18685.5958 5704.9782 178.2042 -333710.7598 20865.7133 0.0000 0.0000 44220.7113 -222493.9568 160.8628 -266714.6681 -222160.9740 160.8628 -4385.1103 -2823.4851 921491.4634 -4385.1103 -2823.4851
ENERGY: 162 22512.8126 18508.1491 5697.2826 183.0024 -333202.6497 20887.8857 0.0000 0.0000 43070.6067 -222342.9106 156.6790 -265413.5172 -222161.4908 156.6790 -5004.1556 -2859.8871 921491.4634 -5004.1556 -2859.8871
ENERGY: 163 21937.9852 18346.8656 5696.1509 188.4544 -332368.8225 20884.6196 0.0000 0.0000 43005.6961 -222309.0506 156.4429 -265314.7467 -222160.7802 156.4429 -4776.8221 -2868.7270 921491.4634 -4776.8221 -2868.7270
ENERGY: 164 19652.8066 18261.0399 5702.5307 194.0206 -331567.4470 20861.9109 0.0000 0.0000 44426.5344 -222468.6039 161.6115 -266895.1383 -222170.9034 161.6115 -3836.1733 -2870.4449 921491.4634 -3836.1733 -2870.4449
ENERGY: 165 18074.0952 18343.8149 5716.1638 199.2019 -331183.0466 20849.6743 0.0000 0.0000 45425.8563 -222574.2401 165.2468 -268000.0965 -222153.1699 165.2468 -2737.5185 -2867.1447 921491.4634 -2737.5185 -2867.1447
ENERGY: 166 18979.7069 18650.1653 5734.9735 203.3281 -331407.1002 20870.8940 0.0000 0.0000 44483.6888 -222484.3436 161.8194 -266968.0324 -222151.2328 161.8194 -1964.3635 -2870.3839 921491.4634 -1964.3635 -2870.3839
ENERGY: 167 21026.8306 19216.2867 5755.9248 205.8794 -332212.1861 20917.6389 0.0000 0.0000 42775.8062 -222313.8196 155.6066 -265089.6258 -222150.5299 155.6066 -1671.2498 -2889.5868 921491.4634 -1671.2498 -2889.5868
ENERGY: 168 21619.4180 19999.6889 5775.3367 206.4584 -333382.4928 20963.4339 0.0000 0.0000 42492.3350 -222325.8219 154.5754 -264818.1569 -222149.7710 154.5754 -1735.9904 -2933.5976 921491.4634 -1735.9904 -2933.5976
ENERGY: 169 20648.4664 20870.4069 5789.9166 204.9287 -334596.5072 20994.5723 0.0000 0.0000 43600.1909 -222488.0254 158.6055 -266088.2163 -222133.5318 158.6055 -2095.8776 -2988.7947 921491.4634 -2095.8776 -2988.7947
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 170 20485.0014 21574.3801 5797.0542 201.1981 -335480.2504 21017.8095 0.0000 0.0000 43834.2687 -222570.5385 159.4570 -266404.8072 -222135.2423 159.4570 -2696.1967 -3030.4960 921491.4634 -2696.1967 -3030.4960
ENERGY: 171 22225.3642 21884.1726 5796.1347 195.5169 -335757.0017 21036.7489 0.0000 0.0000 42205.8538 -222413.2107 153.5333 -264619.0645 -222135.5894 153.5333 -3373.1626 -3035.3578 921491.4634 -3373.1626 -3035.3578
ENERGY: 172 23612.5242 21689.2905 5788.4217 188.3823 -335345.7509 21036.2040 0.0000 0.0000 40787.7255 -222243.2028 148.3745 -263030.9283 -222132.3044 148.3745 -3754.4380 -3004.4812 921491.4634 -3754.4380 -3004.4812
ENERGY: 173 22089.5492 21081.4671 5776.7002 180.5475 -334414.6778 21003.0506 0.0000 0.0000 41986.3985 -222296.9648 152.7350 -264283.3633 -222121.1462 152.7350 -3608.5986 -2944.3813 921491.4634 -3608.5986 -2944.3813
ENERGY: 174 18699.8472 20250.6916 5763.7521 172.7179 -333314.9342 20954.5023 0.0000 0.0000 44924.4952 -222548.9279 163.4230 -267473.4231 -222120.6680 163.4230 -3086.0087 -2871.4630 921491.4634 -3086.0087 -2871.4630
ENERGY: 175 17219.9375 19455.5735 5752.1494 165.6559 -332464.6996 20928.3118 0.0000 0.0000 46291.0144 -222652.0571 168.3940 -268943.0715 -222120.1888 168.3940 -2676.4054 -2794.4451 921491.4634 -2676.4054 -2794.4451
ENERGY: 176 19195.1038 18891.7628 5743.5896 160.0071 -332124.2128 20943.2096 0.0000 0.0000 44722.5120 -222468.0279 162.6882 -267190.5399 -222127.3370 162.6882 -2658.3220 -2727.5043 921491.4634 -2658.3220 -2727.5043
ENERGY: 177 21863.3195 18664.1734 5738.9484 156.2659 -332371.2412 20981.6519 0.0000 0.0000 42714.2625 -222252.6196 155.3827 -264966.8821 -222125.5137 155.3827 -2870.6844 -2681.8089 921491.4634 -2870.6844 -2681.8089
ENERGY: 178 21917.7899 18733.9558 5737.6245 154.5770 -332975.2975 21015.2133 0.0000 0.0000 43101.1545 -222314.9825 156.7902 -265416.1370 -222126.1322 156.7902 -2936.2255 -2665.7682 921491.4634 -2936.2255 -2665.7682
ENERGY: 179 20058.5719 19018.0838 5738.2698 154.9022 -333648.1818 21038.3004 0.0000 0.0000 45070.9164 -222569.1373 163.9556 -267640.0537 -222127.1794 163.9556 -2805.2707 -2668.3444 921491.4634 -2805.2707 -2668.3444
TIMING: 180 CPU: 85.8985, 0.469629/step Wall: 85.8985, 0.469629/step, 0.0417448 hours remaining, 3222.203125 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 19770.2943 19384.7962 5738.8341 156.9935 -334084.3524 21065.2917 0.0000 0.0000 45324.2213 -222643.9212 164.8771 -267968.1425 -222142.6345 164.8771 -2684.8629 -2671.3560 921491.4634 -2684.8629 -2671.3560
ENERGY: 181 22122.8095 19693.8081 5737.3498 160.4696 -334134.1967 21097.1423 0.0000 0.0000 42906.0428 -222416.5746 156.0804 -265322.6174 -222134.4682 156.0804 -2655.0378 -2656.7563 921491.4634 -2655.0378 -2656.7563
ENERGY: 182 23922.3457 19800.0771 5732.0748 164.8150 -333691.2983 21109.5294 0.0000 0.0000 40770.0179 -222192.4384 148.3101 -262962.4563 -222132.7635 148.3101 -2461.5987 -2635.7203 921491.4634 -2461.5987 -2635.7203
ENERGY: 183 22149.3487 19677.1533 5722.7616 169.5349 -332921.8737 21084.4912 0.0000 0.0000 41834.8233 -222283.7607 152.1836 -264118.5841 -222131.2590 152.1836 -1990.8046 -2626.5157 921491.4634 -1990.8046 -2626.5157
ENERGY: 184 18376.8756 19424.9914 5710.5469 174.1844 -332181.9081 21042.4480 0.0000 0.0000 44880.5527 -222572.3092 163.2631 -267452.8618 -222144.6143 163.2631 -1576.6176 -2645.2274 921491.4634 -1576.6176 -2645.2274
ENERGY: 185 16957.7744 19234.6872 5697.7241 178.4155 -331895.6962 21023.9444 0.0000 0.0000 46149.4987 -222653.6519 167.8792 -268803.1506 -222128.1657 167.8792 -1752.9883 -2679.2077 921491.4634 -1752.9883 -2679.2077
ENERGY: 186 19266.0405 19234.9570 5686.4352 181.9571 -332240.0938 21043.7460 0.0000 0.0000 44391.5887 -222435.3692 161.4844 -266826.9579 -222129.2888 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2967 19471.4303 5678.7398 184.6336 -333156.1127 21076.9265 0.0000 0.0000 42449.0056 -222222.0802 154.4178 -264671.0857 -222130.9080 154.4178 -3641.8535 -2802.0866 921491.4634 -3641.8535 -2802.0866
ENERGY: 188 22101.1830 19886.6773 5676.0120 186.3502 -334382.7611 21093.9045 0.0000 0.0000 43113.1615 -222325.4726 156.8338 -265438.6341 -222135.3908 156.8338 -4316.2654 -2887.0591 921491.4634 -4316.2654 -2887.0591
ENERGY: 189 20394.2462 20391.8602 5678.8863 187.1154 -335558.5040 21096.5841 0.0000 0.0000 45245.6387 -222564.1732 164.5912 -267809.8119 -222116.4324 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 20848.4448 5686.3597 187.0164 -336318.7431 21106.5488 0.0000 0.0000 45533.2633 -222615.0375 165.6375 -268148.3008 -222116.1591 165.6375 -4141.9210 -2962.8209 921491.4634 -4141.9210 -2962.8209
ENERGY: 191 22534.8506 21157.2826 5696.5257 186.2614 -336419.5250 21124.8645 0.0000 0.0000 43330.7335 -222389.0067 157.6253 -265719.7403 -222114.1141 157.6253 -3471.5977 -2915.5481 921491.4634 -3471.5977 -2915.5481
ENERGY: 192 23768.4830 21244.3747 5706.8010 185.1520 -335814.4791 21125.1404 0.0000 0.0000 41560.2537 -222224.2742 151.1848 -263784.5279 -222108.6419 151.1848 -2412.4656 -2830.7902 921491.4634 -2412.4656 -2830.7902
ENERGY: 193 21710.8595 21097.1072 5714.9848 184.0569 -334711.3258 21092.9043 0.0000 0.0000 42578.8348 -222332.5784 154.8901 -264911.4131 -222093.8904 154.8901 -1181.4695 -2735.1546 921491.4634 -1181.4695 -2735.1546
ENERGY: 194 18383.3649 20711.5281 5719.3482 183.2863 -333492.4631 21054.1041 0.0000 0.0000 44867.8135 -222573.0181 163.2168 -267440.8316 -222092.1690 163.2168 -314.8316 -2651.4482 921491.4634 -314.8316 -2651.4482
ENERGY: 195 17581.7011 20169.9814 5719.7968 183.0839 -332603.8308 21048.2210 0.0000 0.0000 45307.7484 -222593.2981 164.8171 -267901.0465 -222091.6062 164.8171 -398.0878 -2592.7756 921491.4634 -398.0878 -2592.7756
ENERGY: 196 19755.8662 19594.9319 5717.4229 183.5644 -332319.6949 21082.8580 0.0000 0.0000 43603.6154 -222381.4363 158.6180 -265985.0516 -222096.3128 158.6180 -1480.5940 -2574.8092 921491.4634 -1480.5940 -2574.8092
ENERGY: 197 21700.3670 19122.7579 5714.1451 184.7200 -332668.2729 21129.4588 0.0000 0.0000 42574.3653 -222242.4588 154.8738 -264816.8242 -222086.7181 154.8738 -3040.7436 -2596.5494 921491.4634 -3040.7436 -2596.5494
ENERGY: 198 21224.0060 18800.3004 5711.3574 186.3640 -333385.4996 21161.1534 0.0000 0.0000 43911.2862 -222391.0322 159.7372 -266302.3184 -222090.4393 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
ENERGY: 199 20113.4048 18634.4038 5710.3429 188.2374 -334151.8585 21182.1777 0.0000 0.0000 45722.9587 -222600.3331 166.3276 -268323.2918 -222093.2752 166.3276 -5152.2285 -2691.5412 921491.4634 -5152.2285 -2691.5412
LDB: ============= START OF LOAD BALANCING ============== 101.521
LDB: Largest compute 200 load 0.426106 is 1.2% of average load 36.559362
LDB: Average compute 0.051207 is 0.1% of average load 36.559362
LDB: TIME 101.523 LOAD: AVG 36.5594 MAX 37.6068 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.58 MB
LDB: TIME 101.525 LOAD: AVG 36.5594 MAX 37.5112 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.58 MB
LDB: ============== END OF LOAD BALANCING =============== 101.527
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.53
Info: Initial time: 4 CPUs 0.470235 s/step 5.44253 days/ns 3224.02 MB memory
TIMING: 200 CPU: 95.2997, 0.47006/step Wall: 95.2997, 0.47006/step, 0.0391717 hours remaining, 3224.019531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6837 18595.6348 5711.8747 190.0258 -334670.2808 21209.9248 0.0000 0.0000 45319.1599 -222569.9771 164.8586 -267889.1370 -222114.5244 164.8586 -5241.8525 -2703.6812 921491.4634 -5241.8525 -2703.6812
ENERGY: 201 23380.1030 18674.3332 5716.2802 191.4189 -334751.7129 21239.1341 0.0000 0.0000 43222.4694 -222327.9741 157.2315 -265550.4435 -222100.1077 157.2315 -4546.2004 -2661.1900 921491.4634 -4546.2004 -2661.1900
ENERGY: 202 23622.8117 18850.8449 5722.5980 192.1474 -334305.3005 21243.2752 0.0000 0.0000 42432.5586 -222241.0646 154.3580 -264673.6232 -222096.8290 154.3580 -3005.0519 -2588.0013 921491.4634 -3005.0519 -2588.0013
ENERGY: 203 20743.8946 19130.0389 5729.2400 192.0764 -333501.9371 21215.8254 0.0000 0.0000 44059.6985 -222431.1633 160.2771 -266490.8618 -222093.6426 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
ENERGY: 204 17862.6125 19486.9556 5734.1463 191.2124 -332722.2202 21188.8403 0.0000 0.0000 45629.4718 -222628.9813 165.9875 -268258.4531 -222116.7005 165.9875 452.9932 -2462.2930 921491.4634 452.9932 -2462.2930
ENERGY: 205 18189.0791 19868.9414 5735.7153 189.6741 -332398.2554 21197.9186 0.0000 0.0000 44690.7148 -222526.2121 162.5725 -267216.9269 -222099.8064 162.5725 731.8534 -2447.6354 921491.4634 731.8534 -2447.6354
ENERGY: 206 20668.8901 20170.9986 5732.9811 187.6404 -332716.3437 21241.8392 0.0000 0.0000 42439.0584 -222274.9360 154.3816 -264713.9944 -222100.3401 154.3816 -230.6569 -2488.2938 921491.4634 -230.6569 -2488.2938
ENERGY: 207 21693.8031 20338.2891 5726.5434 185.3060 -333603.9795 21289.9002 0.0000 0.0000 42143.6913 -222226.4463 153.3072 -264370.1376 -222103.0936 153.3072 -1896.3478 -2585.9683 921491.4634 -1896.3478 -2585.9683
ENERGY: 208 20293.2703 20371.8904 5718.1572 182.8654 -334789.2380 21322.2411 0.0000 0.0000 44428.6269 -222472.1868 161.6191 -266900.8137 -222122.6316 161.6191 -3669.0641 -2719.7952 921491.4634 -3669.0641 -2719.7952
ENERGY: 209 19428.8171 20325.0059 5710.3389 180.5135 -335910.2416 21349.5045 0.0000 0.0000 46273.6800 -222642.3818 168.3309 -268916.0618 -222106.7903 168.3309 -5197.7273 -2836.6306 921491.4634 -5197.7273 -2836.6306
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1735 20194.2569 5705.3139 178.4614 -336615.7771 21385.1096 0.0000 0.0000 45251.4334 -222516.0284 164.6123 -267767.4618 -222108.2019 164.6123 -6091.3662 -2896.2627 921491.4634 -6091.3662 -2896.2627
ENERGY: 211 24099.1928 19985.8632 5704.9373 176.9105 -336667.8931 21415.1478 0.0000 0.0000 43031.7285 -222254.1131 156.5376 -265285.8416 -222106.8544 156.5376 -5900.2977 -2885.1010 921491.4634 -5900.2977 -2885.1010
ENERGY: 212 23739.2710 19730.8222 5710.0295 176.0352 -336013.6228 21412.5984 0.0000 0.0000 42995.1638 -222249.7027 156.4046 -265244.8665 -222104.2320 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2161 19524.5248 5720.1722 175.9508 -334874.6444 21380.5553 0.0000 0.0000 45418.7805 -222504.4448 165.2210 -267923.2254 -222097.3836 165.2210 -2174.3117 -2725.0840 921491.4634 -2174.3117 -2725.0840
ENERGY: 214 17315.5529 19421.7447 5733.3059 176.6827 -333645.3937 21358.4486 0.0000 0.0000 46958.4702 -222681.1886 170.8220 -269639.6588 -222093.7408 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5055 19441.9742 5746.5772 178.1492 -332787.3322 21379.5597 0.0000 0.0000 45302.6746 -222527.8918 164.7987 -267830.5664 -222091.0448 164.7987 784.0015 -2554.0367 921491.4634 784.0015 -2554.0367
ENERGY: 216 20973.4716 19522.5061 5756.9571 180.1770 -332560.1064 21436.4837 0.0000 0.0000 42442.1787 -222248.3322 154.3930 -264690.5109 -222073.6160 154.3930 420.9901 -2541.5429 921491.4634 420.9901 -2541.5429
ENERGY: 217 21778.3867 19581.4819 5762.2416 182.5517 -333010.6761 21497.2706 0.0000 0.0000 41983.6750 -222225.0686 152.7251 -264208.7436 -222064.4468 152.7251 -882.1699 -2598.7244 921491.4634 -882.1699 -2598.7244
ENERGY: 218 20165.9157 19540.0890 5761.2415 184.9927 -333856.1150 21546.6562 0.0000 0.0000 44178.6835 -222478.5364 160.7099 -266657.2199 -222068.8159 160.7099 -2628.0653 -2703.9747 921491.4634 -2628.0653 -2703.9747
ENERGY: 219 19429.8641 19413.3931 5754.3577 187.2447 -334778.0712 21596.8809 0.0000 0.0000 45751.9296 -222644.4011 166.4329 -268396.3307 -222073.1723 166.4329 -4457.7333 -2810.5238 921491.4634 -4457.7333 -2810.5238
TIMING: 220 CPU: 104.715, 0.470752/step Wall: 104.715, 0.470752/step, 0.036614 hours remaining, 3224.019531 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 -335473.8432 21655.3185 0.0000 0.0000 44539.5738 -222505.6536 162.0227 -267045.2274 -222092.6289 162.0227 -5898.3511 -2876.6576 921491.4634 -5898.3511 -2876.6576
ENERGY: 221 24234.7392 19146.8278 5730.1601 190.4777 -335718.7275 21699.4245 0.0000 0.0000 42467.0188 -222250.0793 154.4833 -264717.0982 -222077.7836 154.4833 -6342.7097 -2884.3551 921491.4634 -6342.7097 -2884.3551
ENERGY: 222 23735.1224 19085.7308 5717.7679 191.2894 -335388.9914 21700.3078 0.0000 0.0000 42702.0388 -222256.7344 155.3383 -264958.7732 -222075.6638 155.3383 -5368.7279 -2838.7016 921491.4634 -5368.7279 -2838.7016
ENERGY: 223 20286.4336 19110.8426 5708.3528 191.5579 -334633.3913 21665.5243 0.0000 0.0000 45168.7531 -222501.9270 164.3115 -267670.6801 -222072.2457 164.3115 -3322.8075 -2753.9474 921491.4634 -3322.8075 -2753.9474
ENERGY: 224 17721.9818 19276.3017 5703.4615 191.3517 -333831.1558 21637.4894 0.0000 0.0000 46650.8780 -222649.6916 169.7031 -269300.5696 -222098.2846 169.7031 -1151.0969 -2650.6854 921491.4634 -1151.0969 -2650.6854
ENERGY: 225 18451.5608 19639.7349 5703.5482 190.8347 -333424.4646 21647.4589 0.0000 0.0000 45301.5805 -222489.7468 164.7947 -267791.3273 -222079.9379 164.7947 226.2574 -2563.9720 921491.4634 226.2574 -2563.9720
ENERGY: 226 20569.7731 20147.6375 5707.2430 190.0457 -333606.5693 21686.9381 0.0000 0.0000 43034.1677 -222270.7642 156.5465 -265304.9320 -222078.6803 156.5465 530.9034 -2526.3323 921491.4634 530.9034 -2526.3323
ENERGY: 227 21011.1676 20670.4532 5712.3895 189.0770 -334317.7219 21728.2284 0.0000 0.0000 42721.7944 -222284.6118 155.4101 -265006.4062 -222080.2097 155.4101 -104.6488 -2553.6074 921491.4634 -104.6488 -2553.6074
ENERGY: 228 19866.2929 21035.8344 5716.6482 188.0081 -335312.4266 21761.2924 0.0000 0.0000 44242.5384 -222501.8123 160.9422 -266744.3507 -222102.7892 160.9422 -1440.0181 -2625.9672 921491.4634 -1440.0181 -2625.9672
ENERGY: 229 19874.0814 21137.5587 5718.5477 187.0043 -336264.4467 21796.8120 0.0000 0.0000 44976.5835 -222573.8590 163.6124 -267550.4425 -222086.0489 163.6124 -3234.4607 -2710.7214 921491.4634 -3234.4607 -2710.7214
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 230 21999.2456 20926.2538 5717.1889 185.9786 -336838.6564 21834.6451 0.0000 0.0000 43751.0551 -222424.2893 159.1543 -266175.3444 -222088.6909 159.1543 -4902.3780 -2766.0557 921491.4634 -4902.3780 -2766.0557
ENERGY: 231 23806.6618 20470.3272 5713.0793 184.9073 -336794.0752 21849.7234 0.0000 0.0000 42506.4014 -222262.9747 154.6266 -264769.3761 -222089.4822 154.6266 -5730.6842 -2773.7615 921491.4634 -5730.6842 -2773.7615
ENERGY: 232 22812.6532 19886.6601 5707.7133 183.7520 -336072.1017 21820.0136 0.0000 0.0000 43315.5693 -222345.7403 157.5701 -265661.3096 -222098.2756 157.5701 -5301.5938 -2731.4986 921491.4634 -5301.5938 -2731.4986
ENERGY: 233 20035.6405 19318.2042 5703.4910 182.6157 -334889.2832 21760.7377 0.0000 0.0000 45350.0988 -222538.4954 164.9712 -267888.5942 -222089.6823 164.9712 -3899.2117 -2646.7386 921491.4634 -3899.2117 -2646.7386
ENERGY: 234 18553.6066 18856.0074 5702.3325 181.3395 -333642.4873 21712.9299 0.0000 0.0000 46049.0873 -222587.1841 167.5139 -268636.2714 -222086.3331 167.5139 -2187.7193 -2534.9736 921491.4634 -2187.7193 -2534.9736
ENERGY: 235 19419.0964 18603.4159 5705.8180 179.9133 -332789.1750 21702.6096 0.0000 0.0000 44750.4958 -222427.8259 162.7900 -267178.3217 -222083.1205 162.7900 -820.1736 -2429.4348 921491.4634 -820.1736 -2429.4348
ENERGY: 236 20566.0776 18629.0999 5714.2865 178.3391 -332585.8846 21721.5012 0.0000 0.0000 43477.4014 -222299.1788 158.1588 -265776.5802 -222073.0119 158.1588 -108.6481 -2371.7044 921491.4634 -108.6481 -2371.7044
ENERGY: 237 20196.0057 18940.2030 5726.8243 176.7459 -333068.3184 21749.0157 0.0000 0.0000 43898.3780 -222381.1460 159.6902 -266279.5239 -222063.3605 159.6902 -172.1587 -2373.2012 921491.4634 -172.1587 -2373.2012
ENERGY: 238 19419.4413 19404.0883 5740.6977 175.0128 -333964.3151 21778.9044 0.0000 0.0000 44901.2436 -222544.9270 163.3384 -267446.1707 -222065.9778 163.3384 -987.6012 -2425.5310 921491.4634 -987.6012 -2425.5310
ENERGY: 239 20428.8616 19846.5439 5752.8836 173.1946 -334966.8377 21816.7509 0.0000 0.0000 44416.4633 -222532.1397 161.5749 -266948.6031 -222068.9825 161.5749 -2385.1781 -2499.0796 921491.4634 -2385.1781 -2499.0796
TIMING: 240 CPU: 114.122, 0.470386/step Wall: 114.122, 0.470386/step, 0.0339723 hours remaining, 3224.019531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 240 22861.0420 20119.9135 5760.6909 171.4213 -335766.3625 21854.4253 0.0000 0.0000 42641.4776 -222357.3919 155.1180 -264998.8695 -222074.0953 155.1180 -3844.9085 -2568.3896 921491.4634 -3844.9085 -2568.3896
ENERGY: 241 23920.0053 20195.4873 5762.7124 169.9828 -336129.3252 21865.1032 0.0000 0.0000 41957.8936 -222258.1406 152.6313 -264216.0342 -222063.9158 152.6313 -4724.4492 -2616.3453 921491.4634 -4724.4492 -2616.3453
ENERGY: 242 22110.7717 20111.8209 5758.5348 169.0441 -335904.8196 21831.0568 0.0000 0.0000 43526.8719 -222396.7195 158.3388 -265923.5914 -222063.5735 158.3388 -4623.1690 -2633.0913 921491.4634 -4623.1690 -2633.0913
ENERGY: 243 19462.3621 19969.6445 5749.3614 168.8705 -335233.7068 21770.4748 0.0000 0.0000 45537.0689 -222575.9245 165.6513 -268112.9934 -222061.6673 165.6513 -3760.4506 -2614.6992 921491.4634 -3760.4506 -2614.6992
ENERGY: 244 18822.2465 19849.3934 5737.4544 169.6534 -334482.6010 21720.5676 0.0000 0.0000 45629.1662 -222554.1194 165.9864 -268183.2856 -222078.7771 165.9864 -2667.7298 -2573.2150 921491.4634 -2667.7298 -2573.2150
ENERGY: 245 20148.2368 19811.7599 5725.7785 171.4559 -334087.5946 21701.2470 0.0000 0.0000 44168.5248 -222360.5917 160.6730 -266529.1165 -222068.6366 160.6730 -1771.6901 -2533.5454 921491.4634 -1771.6901 -2533.5454
ENERGY: 246 20878.5481 19853.7025 5716.8932 174.1558 -334213.1205 21705.0851 0.0000 0.0000 43600.4181 -222284.3178 158.6063 -265884.7360 -222067.4296 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5286 19979.6440 5712.7400 177.5412 -334802.1841 21719.8455 0.0000 0.0000 44912.1911 -222431.6937 163.3782 -267343.8848 -222068.1394 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4925 20164.4296 5713.8450 181.3144 -335623.1352 21746.4311 0.0000 0.0000 46185.9361 -222595.6866 168.0117 -268781.6227 -222090.3128 168.0117 -1359.1246 -2608.3066 921491.4634 -1359.1246 -2608.3066
ENERGY: 249 20484.3305 20353.6193 5719.1623 185.0800 -336433.0066 21788.9034 0.0000 0.0000 45370.8151 -222531.0960 165.0466 -267901.9111 -222082.9712 165.0466 -2308.0286 -2671.2385 921491.4634 -2308.0286 -2671.2385
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 250 23155.2056 20422.5256 5726.1009 188.5682 -336907.4408 21832.9289 0.0000 0.0000 43252.1658 -222329.9458 157.3395 -265582.1116 -222084.2879 157.3395 -3365.2095 -2722.3880 921491.4634 -3365.2095 -2722.3880
ENERGY: 251 24002.1398 20302.5995 5731.6573 191.5295 -336816.8447 21849.8673 0.0000 0.0000 42475.2391 -222263.8122 154.5132 -264739.0513 -222084.8990 154.5132 -3958.0340 -2753.0723 921491.4634 -3958.0340 -2753.0723
ENERGY: 252 21994.9042 20013.1598 5733.2541 193.8023 -336093.2675 21826.9296 0.0000 0.0000 43905.3719 -222425.8457 159.7157 -266331.2176 -222091.3306 159.7157 -3843.4682 -2758.0338 921491.4634 -3843.4682 -2758.0338
ENERGY: 253 19499.8638 19667.1121 5729.5496 195.2411 -334977.1806 21784.0537 0.0000 0.0000 45520.0190 -222581.3413 165.5893 -268101.3603 -222082.7206 165.5893 -3300.1274 -2735.8131 921491.4634 -3300.1274 -2735.8131
ENERGY: 254 19073.0882 19348.2295 5720.5008 195.9622 -333839.8797 21752.6524 0.0000 0.0000 45220.9194 -222528.5272 164.5013 -267749.4467 -222080.4687 164.5013 -2707.1337 -2696.1701 921491.4634 -2707.1337 -2696.1701
ENERGY: 255 20324.2311 19109.4101 5707.6062 196.0620 -333099.9232 21746.1516 0.0000 0.0000 43667.4211 -222349.0411 158.8501 -266016.4622 -222078.3976 158.8501 -2282.5424 -2662.7814 921491.4634 -2282.5424 -2662.7814
ENERGY: 256 20899.4409 18950.9577 5693.4518 195.6570 -332975.5975 21757.6848 0.0000 0.0000 43181.1611 -222297.2441 157.0812 -265478.4052 -222071.2742 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5653 18878.1873 5681.1759 194.7976 -333481.0042 21780.2420 0.0000 0.0000 44488.5468 -222428.4894 161.8371 -266917.0361 -222060.1687 161.8371 -2035.5361 -2692.1442 921491.4634 -2035.5361 -2692.1442
ENERGY: 258 19453.5867 18882.0666 5673.2911 193.6684 -334373.1548 21817.5078 0.0000 0.0000 45796.2577 -222556.7765 166.5942 -268353.0342 -222062.0611 166.5942 -2331.2327 -2737.1920 921491.4634 -2331.2327 -2737.1920
ENERGY: 259 20717.7708 18984.1029 5671.3007 192.3773 -335369.5281 21871.0067 0.0000 0.0000 45431.1555 -222501.8142 165.2661 -267932.9697 -222063.7309 165.2661 -2890.3670 -2780.4961 921491.4634 -2890.3670 -2780.4961
TIMING: 260 CPU: 123.521, 0.46995/step Wall: 123.521, 0.46995/step, 0.03133 hours remaining, 3224.324219 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 260 22744.9542 19188.2462 5675.1875 191.0393 -336169.7729 21924.7894 0.0000 0.0000 44083.4306 -222362.1257 160.3634 -266445.5563 -222069.6813 160.3634 -3407.4793 -2810.9878 921491.4634 -3407.4793 -2810.9878
ENERGY: 261 23215.5573 19485.4655 5683.6413 189.7700 -336523.9801 21953.3903 0.0000 0.0000 43676.0234 -222320.1324 158.8814 -265996.1558 -222052.8237 158.8814 -3555.3695 -2822.8648 921491.4634 -3555.3695 -2822.8648
ENERGY: 262 21606.2724 19814.6777 5694.0655 188.7122 -336291.7860 21947.6075 0.0000 0.0000 44601.6346 -222438.8160 162.2485 -267040.4507 -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 21924.4741 0.0000 0.0000 45349.7771 -222527.2804 164.9700 -267877.0576 -222051.1548 164.9700 -2647.8116 -2773.3903 921491.4634 -2647.8116 -2773.3903
ENERGY: 264 19385.2260 20436.4305 5710.6950 187.5052 -334855.9512 21907.7773 0.0000 0.0000 44751.4784 -222476.8388 162.7936 -267228.3173 -222069.1983 162.7936 -2191.1927 -2723.5294 921491.4634 -2191.1927 -2723.5294
ENERGY: 265 19946.8415 20681.9925 5713.6241 187.4392 -334395.6633 21906.0164 0.0000 0.0000 43607.6375 -222352.1120 158.6326 -265959.7495 -222054.3371 158.6326 -2038.0573 -2683.6035 921491.4634 -2038.0573 -2683.6035
ENERGY: 266 20048.7899 20788.8700 5712.1327 187.6137 -334399.4578 21914.4806 0.0000 0.0000 43399.3797 -222348.1912 157.8750 -265747.5709 -222054.3634 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0906 20691.2678 5707.0583 187.8501 -334831.4856 21930.8375 0.0000 0.0000 44220.2168 -222446.1645 160.8610 -266666.3814 -222055.6584 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9161 20375.7515 5700.1930 187.9286 -335513.7451 21959.1258 0.0000 0.0000 44823.5377 -222504.2925 163.0557 -267327.8301 -222075.9875 163.0557 -2903.2124 -2658.6181 921491.4634 -2903.2124 -2658.6181
ENERGY: 269 21396.7813 19927.1702 5694.0390 187.7639 -336221.0662 21997.2161 0.0000 0.0000 44586.5099 -222431.5859 162.1935 -267018.0958 -222066.1974 162.1935 -3401.4128 -2647.2949 921491.4634 -3401.4128 -2647.2949
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1932 19450.9167 5690.3173 187.1618 -336650.6775 22028.8071 0.0000 0.0000 44308.0075 -222365.2738 161.1804 -266673.2814 -222067.0435 161.1804 -3583.3633 -2617.7582 921491.4634 -3583.3633 -2617.7582
ENERGY: 271 22345.5823 19078.8065 5690.0209 186.1610 -336571.7892 22035.2502 0.0000 0.0000 44829.4472 -222406.5212 163.0772 -267235.9684 -222066.8386 163.0772 -3261.2174 -2569.2622 921491.4634 -3261.2174 -2569.2622
ENERGY: 272 21021.5585 18896.0661 5692.8269 184.9335 -335921.4615 22015.0580 0.0000 0.0000 45607.7075 -222503.3110 165.9083 -268111.0185 -222081.1572 165.9083 -2551.9684 -2501.8804 921491.4634 -2551.9684 -2501.8804
ENERGY: 273 20123.2137 18932.9080 5697.5118 183.8526 -334925.7012 21985.5297 0.0000 0.0000 45502.7160 -222499.9696 165.5264 -268002.6855 -222069.0459 165.5264 -1837.1975 -2434.6760 921491.4634 -1837.1975 -2434.6760
ENERGY: 274 20074.7416 19121.4862 5701.6806 183.0070 -333931.6257 21965.2977 0.0000 0.0000 44478.5174 -222406.8952 161.8006 -266885.4126 -222066.8029 161.8006 -1366.5213 -2384.6634 921491.4634 -1366.5213 -2384.6634
ENERGY: 275 20005.4317 19374.0680 5703.3424 182.5376 -333318.5603 21960.8300 0.0000 0.0000 43741.9681 -222350.3825 159.1213 -266092.3506 -222065.7692 159.1213 -1269.7931 -2374.8868 921491.4634 -1269.7931 -2374.8868
ENERGY: 276 19401.8502 19594.7508 5701.2547 182.4904 -333292.1281 21971.0410 0.0000 0.0000 44028.5270 -222412.2141 160.1637 -266440.7411 -222072.9396 160.1637 -1580.1299 -2417.6040 921491.4634 -1580.1299 -2417.6040
ENERGY: 277 19149.2972 19724.7159 5695.5210 182.9396 -333864.3453 21997.2388 0.0000 0.0000 44632.8109 -222481.8219 162.3619 -267114.6328 -222061.0989 162.3619 -2311.7544 -2498.0544 921491.4634 -2311.7544 -2498.0544
ENERGY: 278 20199.4577 19713.7759 5686.9122 183.6585 -334821.1003 22041.3359 0.0000 0.0000 44532.2538 -222463.7062 161.9961 -266995.9601 -222063.4132 161.9961 -3254.8155 -2593.7696 921491.4634 -3254.8155 -2593.7696
ENERGY: 279 21984.3649 19593.9430 5677.5176 184.5187 -335888.5800 22096.4200 0.0000 0.0000 43975.0879 -222376.7280 159.9693 -266351.8159 -222065.2025 159.9693 -4044.3212 -2682.8388 921491.4634 -4044.3212 -2682.8388
TIMING: 280 CPU: 132.904, 0.469114/step Wall: 132.904, 0.469114/step, 0.0286681 hours remaining, 3224.324219 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 280 22859.3230 19458.4366 5670.0026 185.3899 -336752.6631 22145.1355 0.0000 0.0000 44066.7337 -222367.6419 160.3027 -266434.3756 -222073.4247 160.3027 -4286.3893 -2748.0546 921491.4634 -4286.3893 -2748.0546
ENERGY: 281 22172.5959 19445.1182 5667.0588 186.2206 -337154.6801 22172.1192 0.0000 0.0000 45063.2421 -222448.3253 163.9277 -267511.5674 -222064.8518 163.9277 -3881.2951 -2782.5901 921491.4634 -3881.2951 -2782.5901
ENERGY: 282 20943.7899 19615.5378 5669.9796 186.8360 -336942.5033 22176.7655 0.0000 0.0000 45823.3368 -222526.2577 166.6927 -268349.5945 -222063.3316 166.6927 -2992.3271 -2779.3667 921491.4634 -2992.3271 -2779.3667
ENERGY: 283 20432.1061 19966.6614 5678.8137 187.1634 -336251.9199 22171.0649 0.0000 0.0000 45328.8518 -222487.2587 164.8939 -267816.1105 -222060.8459 164.8939 -2008.7736 -2748.2306 921491.4634 -2008.7736 -2748.2306
ENERGY: 284 20506.3998 20401.8821 5692.0830 187.1346 -335412.6300 22166.2910 0.0000 0.0000 44071.4479 -222387.3916 160.3198 -266458.8395 -222061.5541 160.3198 -1267.2791 -2712.3902 921491.4634 -1267.2791 -2712.3902
ENERGY: 285 20203.3287 20789.9629 5707.3564 186.7145 -334827.1966 22167.0167 0.0000 0.0000 43418.2629 -222354.5547 157.9437 -265772.8175 -222053.5968 157.9437 -1010.8438 -2700.0820 921491.4634 -1010.8438 -2700.0820
ENERGY: 286 19396.6309 20966.5622 5721.5031 185.8229 -334658.1149 22176.6864 0.0000 0.0000 43785.6879 -222425.2214 159.2803 -266210.9093 -222054.0584 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1190 20856.7823 5731.9346 184.4714 -334918.1480 22200.2911 0.0000 0.0000 44282.9435 -222485.6061 161.0892 -266768.5495 -222055.7255 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2088 20475.2852 5736.9557 182.7335 -335468.3148 22237.9038 0.0000 0.0000 44116.9902 -222455.2377 160.4855 -266572.2278 -222066.9054 160.4855 -3310.5878 -2790.1553 921491.4634 -3310.5878 -2790.1553
ENERGY: 289 21886.4834 19928.6979 5736.1905 180.7560 -336126.9122 22279.0691 0.0000 0.0000 43733.4510 -222382.2643 159.0903 -266115.7153 -222062.2725 159.0903 -4368.9814 -2809.8749 921491.4634 -4368.9814 -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 -336571.4574 22308.2176 0.0000 0.0000 44027.4231 -222385.2804 160.1597 -266412.7035 -222063.4685 160.1597 -4815.3286 -2796.0390 921491.4634 -4815.3286 -2796.0390
ENERGY: 291 22115.7703 18802.2909 5721.4122 176.7646 -336554.3557 22315.5631 0.0000 0.0000 44963.0862 -222459.4684 163.5633 -267422.5546 -222063.1776 163.5633 -4450.6673 -2738.1108 921491.4634 -4450.6673 -2738.1108
ENERGY: 292 21262.5910 18472.4016 5712.2431 175.1751 -335987.2698 22302.8785 0.0000 0.0000 45560.3450 -222501.6355 165.7360 -268061.9806 -222072.5162 165.7360 -3435.4156 -2639.3512 921491.4634 -3435.4156 -2639.3512
ENERGY: 293 20783.4661 18411.7342 5705.7252 174.1484 -335092.9704 22279.1183 0.0000 0.0000 45283.4157 -222455.3626 164.7286 -267738.7783 -222061.5455 164.7286 -2166.7336 -2517.2544 921491.4634 -2166.7336 -2517.2544
ENERGY: 294 20398.6127 18589.6436 5703.5791 173.8101 -334179.1784 22254.0801 0.0000 0.0000 44662.2335 -222397.2193 162.4689 -267059.4529 -222058.8851 162.4689 -1006.6042 -2405.5592 921491.4634 -1006.6042 -2405.5592
ENERGY: 295 19706.6742 18924.3582 5706.2255 174.2141 -333602.5013 22236.6570 0.0000 0.0000 44449.5909 -222404.7815 161.6954 -266854.3724 -222057.5861 161.6954 -311.5566 -2335.1538 921491.4634 -311.5566 -2335.1538
ENERGY: 296 19122.8991 19301.4532 5712.5929 175.3096 -333576.4724 22236.1191 0.0000 0.0000 44573.6026 -222454.4960 162.1465 -267028.0986 -222067.3939 162.1465 -347.2082 -2322.9739 921491.4634 -347.2082 -2322.9739
ENERGY: 297 19439.7489 19641.8017 5720.7182 176.9777 -334148.9752 22258.2526 0.0000 0.0000 44466.2675 -222445.2086 161.7561 -266911.4761 -222050.8187 161.7561 -1189.5386 -2359.0875 921491.4634 -1189.5386 -2359.0875
ENERGY: 298 20578.5046 19886.6664 5727.8935 178.9488 -335137.5238 22299.1412 0.0000 0.0000 44067.5342 -222398.8351 160.3056 -266466.3693 -222053.6276 160.3056 -2519.0812 -2427.9309 921491.4634 -2519.0812 -2427.9309
ENERGY: 299 21598.9656 20050.9660 5731.9440 180.9390 -336266.8204 22346.0659 0.0000 0.0000 43977.6321 -222380.3078 159.9785 -266357.9399 -222056.3729 159.9785 -3820.1263 -2506.2687 921491.4634 -3820.1263 -2506.2687
LDB: ============= START OF LOAD BALANCING ============== 148.529
LDB: Largest compute 200 load 0.520720 is 1.1% of average load 45.654443
LDB: Average compute 0.063947 is 0.1% of average load 45.654443
LDB: TIME 148.531 LOAD: AVG 45.6544 MAX 46.9993 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.52 MB
LDB: TIME 148.532 LOAD: AVG 45.6544 MAX 46.9993 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.52 MB
LDB: TIME 148.537 LOAD: AVG 45.6544 MAX 45.9877 PROXIES: TOTAL 115 MAXPE 31 MAXPATCH 2 RefineTorusLB MEM: 3224.52 MB
LDB: ============== END OF LOAD BALANCING =============== 148.537
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.539
Info: Initial time: 4 CPUs 0.469665 s/step 5.43594 days/ns 3224.52 MB memory
TIMING: 300 CPU: 142.276, 0.468602/step Wall: 142.276, 0.468602/step, 0.0260334 hours remaining, 3224.523438 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 5731.6694 182.6816 -337209.9031 22385.4781 0.0000 0.0000 44423.7995 -222442.0973 161.6016 -266865.8968 -222076.5869 161.6016 -4600.9409 -2563.6019 921491.4634 -4600.9409 -2563.6019
ENERGY: 301 21754.7699 20299.7852 5727.3852 184.0330 -337665.1001 22409.6628 0.0000 0.0000 44817.7465 -222471.7174 163.0346 -267289.4639 -222059.2468 163.0346 -4657.8464 -2584.2293 921491.4634 -4657.8464 -2584.2293
ENERGY: 302 21723.0648 20395.7908 5720.2599 184.8676 -337483.0153 22416.9294 0.0000 0.0000 44599.2669 -222442.8360 162.2399 -267042.1029 -222057.3399 162.2399 -3958.8650 -2554.2736 921491.4634 -3958.8650 -2554.2736
ENERGY: 303 21512.5328 20430.0801 5712.5286 185.2198 -336784.9551 22409.2050 0.0000 0.0000 44154.6909 -222380.6979 160.6226 -266535.3888 -222054.2088 160.6226 -2717.2719 -2487.9821 921491.4634 -2717.2719 -2487.9821
ENERGY: 304 20579.5056 20379.6044 5706.6112 185.2163 -335895.7345 22392.3089 0.0000 0.0000 44259.5532 -222392.9351 161.0041 -266652.4882 -222063.7238 161.0041 -1310.8210 -2411.5371 921491.4634 -1310.8210 -2411.5371
ENERGY: 305 19294.2488 20267.1926 5704.5649 185.0761 -335184.3676 22377.9877 0.0000 0.0000 44903.5550 -222451.7426 163.3468 -267355.2976 -222049.0630 163.3468 -285.4664 -2359.8439 921491.4634 -285.4664 -2359.8439
ENERGY: 306 18813.6233 20091.4461 5706.8791 184.8700 -334861.4713 22380.1171 0.0000 0.0000 45195.6068 -222488.9288 164.4092 -267684.5356 -222048.9454 164.4092 -34.4473 -2342.9900 921491.4634 -34.4473 -2342.9900
ENERGY: 307 19699.8290 19880.2870 5712.8835 184.6555 -334994.2779 22404.6080 0.0000 0.0000 44676.1361 -222435.8789 162.5195 -267112.0150 -222050.4564 162.5195 -686.7123 -2362.0195 921491.4634 -686.7123 -2362.0195
ENERGY: 308 21066.5787 19666.1167 5720.7563 184.4262 -335495.7176 22443.3091 0.0000 0.0000 44039.4393 -222375.0911 160.2034 -266414.5304 -222060.2281 160.2034 -1960.6039 -2406.6005 921491.4634 -1960.6039 -2406.6005
ENERGY: 309 21696.0234 19507.1878 5728.2464 184.2113 -336171.4695 22480.8021 0.0000 0.0000 44190.3407 -222384.6578 160.7523 -266574.9985 -222050.0295 160.7523 -3383.0054 -2467.8898 921491.4634 -3383.0054 -2467.8898
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 310 21508.7276 19421.0237 5732.7586 183.9063 -336693.8608 22505.8457 0.0000 0.0000 44871.0065 -222470.5924 163.2284 -267341.5989 -222052.4938 163.2284 -4424.6314 -2515.2221 921491.4634 -4424.6314 -2515.2221
ENERGY: 311 21459.6725 19421.2606 5732.5580 183.4896 -336798.7864 22515.0560 0.0000 0.0000 44986.9605 -222499.7892 163.6502 -267486.7497 -222053.3068 163.6502 -4795.7695 -2523.0991 921491.4634 -4795.7695 -2523.0991
ENERGY: 312 21894.2739 19475.0866 5727.0397 182.9545 -336390.8677 22507.7149 0.0000 0.0000 44171.5546 -222432.2433 160.6840 -266603.7979 -222064.5094 160.6840 -4390.5736 -2479.7746 921491.4634 -4390.5736 -2479.7746
ENERGY: 313 21935.6984 19529.7470 5717.1322 182.3602 -335633.4774 22483.0130 0.0000 0.0000 43439.9887 -222345.5379 158.0227 -265785.5266 -222050.9856 158.0227 -3324.4415 -2406.1159 921491.4634 -3324.4415 -2406.1159
ENERGY: 314 20774.0372 19507.1855 5704.6248 181.6523 -334801.1004 22445.5165 0.0000 0.0000 43813.5134 -222374.5707 159.3815 -266188.0840 -222048.2693 159.3815 -1862.2383 -2326.9766 921491.4634 -1862.2383 -2326.9766
ENERGY: 315 19161.1203 19408.2595 5692.2116 180.8666 -334233.4700 22410.8358 0.0000 0.0000 44907.4424 -222472.7337 163.3609 -267380.1762 -222046.1399 163.3609 -549.3941 -2270.2360 921491.4634 -549.3941 -2270.2360
ENERGY: 316 18669.4292 19303.6207 5682.5270 180.0732 -334172.3640 22398.3989 0.0000 0.0000 45428.4344 -222509.8805 165.2562 -267938.3149 -222062.0710 165.2562 64.5863 -2251.8059 921491.4634 64.5863 -2251.8059
ENERGY: 317 19739.5965 19309.4452 5677.5265 179.4130 -334705.9333 22416.0669 0.0000 0.0000 44959.2150 -222424.6701 163.5493 -267383.8852 -222046.6269 163.5493 -296.1487 -2282.4174 921491.4634 -296.1487 -2282.4174
ENERGY: 318 21109.3874 19471.3042 5677.4840 178.9393 -335675.6972 22454.1809 0.0000 0.0000 44425.4197 -222358.9817 161.6075 -266784.4014 -222048.7805 161.6075 -1378.4199 -2356.1402 921491.4634 -1378.4199 -2356.1402
ENERGY: 319 21567.4384 19787.0342 5681.4413 178.7485 -336801.6065 22496.5474 0.0000 0.0000 44691.1805 -222399.2162 162.5742 -267090.3967 -222051.9250 162.5742 -2725.8797 -2457.2025 921491.4634 -2725.8797 -2457.2025
TIMING: 320 CPU: 151.43, 0.457731/step Wall: 151.43, 0.457731/step, 0.0228866 hours remaining, 3224.523438 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 20196.2689 5687.3971 178.9168 -337738.1157 22532.5475 0.0000 0.0000 45250.4873 -222499.1144 164.6088 -267749.6018 -222076.2071 164.6088 -3895.6022 -2553.5002 921491.4634 -3895.6022 -2553.5002
ENERGY: 321 21615.1675 20628.0217 5693.0806 179.5146 -338181.7102 22557.3345 0.0000 0.0000 45018.7803 -222489.8110 163.7659 -267508.5913 -222064.2788 163.7659 -4609.2360 -2621.5363 921491.4634 -4609.2360 -2621.5363
ENERGY: 322 22179.0070 20957.0456 5696.1855 180.4970 -337965.9628 22565.0703 0.0000 0.0000 43989.5238 -222398.6337 160.0218 -266388.1575 -222063.6576 160.0218 -4596.8831 -2640.5013 921491.4634 -4596.8831 -2640.5013
ENERGY: 323 21976.7006 21085.8079 5695.4505 181.8003 -337194.0744 22550.8103 0.0000 0.0000 43361.4902 -222342.0146 157.7372 -265703.5048 -222061.4465 157.7372 -3808.3607 -2616.6944 921491.4634 -3808.3607 -2616.6944
ENERGY: 324 20558.5069 20952.0213 5690.8581 183.3007 -336170.3973 22520.5740 0.0000 0.0000 43857.2498 -222407.8864 159.5406 -266265.1362 -222068.7483 159.5406 -2506.6901 -2573.6931 921491.4634 -2506.6901 -2573.6931
ENERGY: 325 19096.1753 20584.7378 5683.7432 184.8441 -335297.0511 22494.0543 0.0000 0.0000 44763.3952 -222490.1011 162.8369 -267253.4963 -222060.9513 162.8369 -1264.0245 -2529.6546 921491.4634 -1264.0245 -2529.6546
ENERGY: 326 18959.6361 20052.8004 5675.9627 186.2078 -334820.0102 22490.4168 0.0000 0.0000 44971.8221 -222483.1643 163.5951 -267454.9864 -222059.6109 163.5951 -572.2141 -2503.0558 921491.4634 -572.2141 -2503.0558
ENERGY: 327 20020.7819 19506.2794 5669.7116 187.2139 -334851.2528 22513.0144 0.0000 0.0000 44550.7425 -222403.5090 162.0634 -266954.2515 -222059.8761 162.0634 -657.4990 -2506.5014 921491.4634 -657.4990 -2506.5014
ENERGY: 328 20934.1976 19092.0092 5666.7484 187.7399 -335303.4708 22549.7452 0.0000 0.0000 44493.2357 -222379.7949 161.8542 -266873.0306 -222061.7260 161.8542 -1393.2036 -2547.3518 921491.4634 -1393.2036 -2547.3518
ENERGY: 329 21066.6663 18910.0876 5668.0553 187.7546 -335996.4125 22586.9565 0.0000 0.0000 45124.3166 -222452.5756 164.1499 -267576.8922 -222059.3368 164.1499 -2499.2289 -2610.9951 921491.4634 -2499.2289 -2610.9951
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 330 21142.6835 18933.5042 5673.1988 187.2569 -336566.3117 22617.7578 0.0000 0.0000 45495.0146 -222516.8958 165.4984 -268011.9104 -222062.1152 165.4984 -3602.9589 -2673.3212 921491.4634 -3602.9589 -2673.3212
ENERGY: 331 21864.6857 19091.0590 5680.9136 186.3262 -336735.1751 22637.2714 0.0000 0.0000 44806.2163 -222468.7030 162.9927 -267274.9192 -222063.3973 162.9927 -4373.7649 -2707.8811 921491.4634 -4373.7649 -2707.8811
ENERGY: 332 22513.8608 19292.8540 5689.3391 185.0893 -336383.5021 22636.4043 0.0000 0.0000 43697.6286 -222368.3261 158.9600 -266065.9547 -222061.8461 158.9600 -4514.5073 -2704.7031 921491.4634 -4514.5073 -2704.7031
ENERGY: 333 21854.9976 19482.7896 5696.6505 183.7309 -335681.4581 22608.9729 0.0000 0.0000 43501.2419 -222353.0748 158.2456 -265854.3167 -222052.0752 158.2456 -3943.3089 -2666.2162 921491.4634 -3943.3089 -2666.2162
ENERGY: 334 20023.4851 19603.2612 5701.0454 182.3864 -334880.5299 22564.8641 0.0000 0.0000 44357.3052 -222448.1825 161.3597 -266805.4877 -222049.6960 161.3597 -2855.3039 -2607.1877 921491.4634 -2855.3039 -2607.1877
ENERGY: 335 18726.9584 19647.0447 5701.6423 181.1975 -334325.9452 22528.7344 0.0000 0.0000 45026.6264 -222513.7414 163.7945 -267540.3678 -222047.5431 163.7945 -1753.1269 -2542.6964 921491.4634 -1753.1269 -2542.6964
ENERGY: 336 19127.9134 19639.0992 5698.6022 180.2744 -334271.7853 22519.6996 0.0000 0.0000 44649.6648 -222456.5317 162.4232 -267106.1965 -222055.6203 162.4232 -1093.5004 -2488.8702 921491.4634 -1093.5004 -2488.8702
ENERGY: 337 20420.1631 19649.7060 5693.3319 179.7347 -334824.3555 22536.4221 0.0000 0.0000 43995.5999 -222349.3978 160.0439 -266344.9976 -222040.1026 160.0439 -1064.7181 -2460.5859 921491.4634 -1064.7181 -2460.5859
ENERGY: 338 21007.5743 19722.4641 5687.5590 179.5437 -335808.8618 22564.1943 0.0000 0.0000 44285.9174 -222361.6090 161.1000 -266647.5264 -222041.5959 161.1000 -1500.9496 -2462.8576 921491.4634 -1500.9496 -2462.8576
ENERGY: 339 20742.6009 19892.4864 5683.2969 179.6501 -336924.5159 22593.0216 0.0000 0.0000 45359.3479 -222474.1121 165.0048 -267833.4600 -222043.8631 165.0048 -2199.9374 -2485.1215 921491.4634 -2199.9374 -2485.1215
TIMING: 340 CPU: 160.593, 0.458137/step Wall: 160.593, 0.458137/step, 0.0203617 hours remaining, 3224.523438 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 20139.5372 5681.9995 179.9655 -337821.3680 22621.7135 0.0000 0.0000 45758.5728 -222540.9726 166.4571 -268299.5454 -222070.3954 166.4571 -2966.9708 -2503.9484 921491.4634 -2966.9708 -2503.9484
ENERGY: 341 22051.8628 20407.8963 5684.3134 180.4786 -338209.1666 22646.3197 0.0000 0.0000 44797.5819 -222440.7138 162.9613 -267238.2957 -222054.5348 162.9613 -3585.3815 -2498.5442 921491.4634 -3585.3815 -2498.5442
ENERGY: 342 22895.9215 20582.1013 5689.2420 181.0293 -337942.4475 22653.2570 0.0000 0.0000 43612.4989 -222328.3976 158.6503 -265940.8965 -222054.3603 158.6503 -3711.7548 -2460.9855 921491.4634 -3711.7548 -2460.9855
ENERGY: 343 21993.5595 20596.8908 5695.1198 181.5548 -337132.3420 22633.1272 0.0000 0.0000 43686.5575 -222345.5323 158.9197 -266032.0898 -222053.2449 158.9197 -3217.8265 -2399.3476 921491.4634 -3217.8265 -2399.3476
ENERGY: 344 19898.5080 20447.2069 5699.9573 182.0106 -336095.2676 22596.5928 0.0000 0.0000 44790.9363 -222480.0558 162.9371 -267270.9922 -222071.3577 162.9371 -2338.1161 -2329.7492 921491.4634 -2338.1161 -2329.7492
ENERGY: 345 18694.7359 20199.0883 5702.3270 182.4513 -335224.1274 22568.7536 0.0000 0.0000 45351.4658 -222525.3054 164.9762 -267876.7713 -222058.0554 164.9762 -1576.2389 -2261.7959 921491.4634 -1576.2389 -2261.7959
ENERGY: 346 19350.9889 19892.9543 5701.0894 182.7368 -334783.0719 22565.1336 0.0000 0.0000 44652.5018 -222437.6672 162.4335 -267090.1689 -222056.8255 162.4335 -1239.3020 -2211.7780 921491.4634 -1239.3020 -2211.7780
ENERGY: 347 20669.8292 19583.9410 5696.3949 182.8447 -334881.4382 22581.1982 0.0000 0.0000 43831.1328 -222336.0974 159.4456 -266167.2302 -222056.9472 159.4456 -1358.8143 -2194.9211 921491.4634 -1358.8143 -2194.9211
ENERGY: 348 21062.2469 19315.9902 5689.3479 182.7918 -335425.6669 22604.2201 0.0000 0.0000 44195.9877 -222375.0823 160.7729 -266571.0700 -222064.0951 160.7729 -1766.2764 -2218.9158 921491.4634 -1766.2764 -2218.9158
ENERGY: 349 20718.9514 19143.3230 5681.9008 182.6959 -336197.3784 22630.4375 0.0000 0.0000 45349.6294 -222490.4403 164.9695 -267840.0698 -222056.3112 164.9695 -2336.6406 -2270.6250 921491.4634 -2336.6406 -2270.6250
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 350 21009.3453 19066.8675 5675.7227 182.5405 -336836.8357 22661.9755 0.0000 0.0000 45710.0734 -222530.3109 166.2807 -268240.3843 -222058.0880 166.2807 -2896.5510 -2326.8868 921491.4634 -2896.5510 -2326.8868
ENERGY: 351 22235.3182 19085.8714 5672.3994 182.3762 -337072.3450 22693.2957 0.0000 0.0000 44770.4134 -222432.6707 162.8625 -267203.0841 -222058.6359 162.8625 -3254.0189 -2369.0508 921491.4634 -3254.0189 -2369.0508
ENERGY: 352 22912.9250 19180.1282 5672.7329 182.2243 -336794.7858 22708.6920 0.0000 0.0000 43795.3991 -222342.6842 159.3156 -266138.0833 -222059.3898 159.3156 -3190.0139 -2394.0289 921491.4634 -3190.0139 -2394.0289
ENERGY: 353 21825.9775 19344.0937 5676.6445 182.1014 -336147.6550 22699.4233 0.0000 0.0000 44043.1855 -222376.2291 160.2170 -266419.4147 -222047.6763 160.2170 -2709.1543 -2407.4663 921491.4634 -2709.1543 -2407.4663
ENERGY: 354 19814.0381 19544.5091 5682.7360 181.9868 -335375.1823 22676.8667 0.0000 0.0000 44983.0756 -222491.9699 163.6361 -267475.0456 -222046.2243 163.6361 -2040.9899 -2415.4741 921491.4634 -2040.9899 -2415.4741
ENERGY: 355 18879.8417 19773.7507 5689.2466 181.9196 -334823.9955 22664.4421 0.0000 0.0000 45120.2677 -222514.5271 164.1351 -267634.7948 -222044.8382 164.1351 -1600.3168 -2424.6827 921491.4634 -1600.3168 -2424.6827
ENERGY: 356 19622.4369 20015.8108 5694.4280 181.9402 -334758.7692 22674.4079 0.0000 0.0000 44153.0886 -222416.6568 160.6168 -266569.7453 -222053.0964 160.6168 -1622.0261 -2446.8266 921491.4634 -1622.0261 -2446.8266
ENERGY: 357 20687.2710 20255.1055 5697.1707 182.0215 -335288.0647 22700.2948 0.0000 0.0000 43438.0179 -222328.1833 158.0156 -265766.2012 -222042.2333 158.0156 -2061.3605 -2486.6663 921491.4634 -2061.3605 -2486.6663
ENERGY: 358 20785.4065 20424.8429 5696.9832 182.1295 -336225.9482 22730.2418 0.0000 0.0000 44019.5824 -222386.7618 160.1311 -266406.3443 -222043.9948 160.1311 -2636.8580 -2541.3594 921491.4634 -2636.8580 -2541.3594
ENERGY: 359 20493.6442 20484.4985 5694.4424 182.1894 -337270.5933 22762.0668 0.0000 0.0000 45152.8978 -222500.8542 164.2538 -267653.7521 -222046.1004 164.2538 -3161.2178 -2593.4282 921491.4634 -3161.2178 -2593.4282
TIMING: 360 CPU: 169.745, 0.45758/step Wall: 169.745, 0.45758/step, 0.0177948 hours remaining, 3224.523438 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 21112.5814 20418.0335 5690.9151 182.1442 -338077.5511 22797.1677 0.0000 0.0000 45362.4568 -222514.2523 165.0162 -267876.7090 -222065.3875 165.0162 -3505.9504 -2622.8571 921491.4634 -3505.9504 -2622.8571
ENERGY: 361 22462.8277 20259.6928 5688.3191 181.9496 -338397.1529 22827.2221 0.0000 0.0000 44580.8521 -222396.2896 162.1729 -266977.1417 -222052.4539 162.1729 -3542.5444 -2618.5018 921491.4634 -3542.5444 -2618.5018
ENERGY: 362 22808.6003 20031.2791 5688.3203 181.6678 -338079.7615 22835.7526 0.0000 0.0000 44200.9553 -222333.1860 160.7909 -266534.1413 -222051.2756 160.7909 -3087.0697 -2583.1905 921491.4634 -3087.0697 -2583.1905
ENERGY: 363 21303.6021 19794.1189 5692.1162 181.3427 -337235.0091 22818.0652 0.0000 0.0000 45033.6628 -222412.1014 163.8201 -267445.7641 -222049.5299 163.8201 -2242.6819 -2529.7064 921491.4634 -2242.6819 -2529.7064
ENERGY: 364 19323.8976 19612.6014 5699.8913 181.0103 -336175.2002 22790.5193 0.0000 0.0000 46034.3489 -222532.9314 167.4603 -268567.2803 -222068.5919 167.4603 -1420.0426 -2476.3758 921491.4634 -1420.0426 -2476.3758
ENERGY: 365 18830.5840 19548.3419 5710.7558 180.6856 -335316.0970 22775.7830 0.0000 0.0000 45760.0888 -222509.8578 166.4626 -268269.9466 -222057.4404 166.4626 -1100.2606 -2433.4824 921491.4634 -1100.2606 -2433.4824
ENERGY: 366 19854.2637 19578.5647 5722.5902 180.3919 -334923.1929 22780.3502 0.0000 0.0000 44422.2472 -222384.7850 161.5959 -266807.0322 -222057.2778 161.5959 -1392.6924 -2417.6864 921491.4634 -1392.6924 -2417.6864
ENERGY: 367 20741.0594 19662.8833 5732.9484 180.1165 -335098.3157 22794.3494 0.0000 0.0000 43662.6186 -222324.3402 158.8326 -265986.9588 -222058.3715 158.8326 -2104.1272 -2437.9269 921491.4634 -2104.1272 -2437.9269
ENERGY: 368 20561.5936 19748.2119 5739.6691 179.8275 -335728.0874 22808.6652 0.0000 0.0000 44272.8407 -222417.2796 161.0524 -266690.1202 -222068.2915 161.0524 -2928.4885 -2487.3070 921491.4634 -2928.4885 -2487.3070
ENERGY: 369 20346.9679 19812.6205 5741.6369 179.5048 -336580.3309 22825.3358 0.0000 0.0000 45155.6307 -222518.6343 164.2638 -267674.2650 -222061.1004 164.2638 -3666.9891 -2542.4574 921491.4634 -3666.9891 -2542.4574
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 370 21302.3708 19815.7282 5738.6027 179.1429 -337296.0557 22846.3049 0.0000 0.0000 44920.4942 -222493.4119 163.4084 -267413.9060 -222062.2628 163.4084 -4081.4437 -2576.8189 921491.4634 -4081.4437 -2576.8189
ENERGY: 371 22799.2774 19758.4807 5731.5881 178.8004 -337606.4373 22861.3510 0.0000 0.0000 43904.8960 -222372.0436 159.7139 -266276.9396 -222061.9341 159.7139 -3956.1482 -2578.2817 921491.4634 -3956.1482 -2578.2817
ENERGY: 372 22964.3599 19665.2849 5722.4283 178.5955 -337391.7868 22854.0836 0.0000 0.0000 43672.6556 -222334.3790 158.8691 -266007.0346 -222060.3194 158.8691 -3189.3382 -2552.6172 921491.4634 -3189.3382 -2552.6172
ENERGY: 373 21253.1598 19603.3415 5713.4759 178.7080 -336784.3110 22822.4880 0.0000 0.0000 44782.9952 -222430.1426 162.9082 -267213.1378 -222050.3112 162.9082 -2037.0649 -2511.6655 921491.4634 -2037.0649 -2511.6655
ENERGY: 374 19285.9366 19613.0718 5706.5680 179.1985 -336019.1229 22785.5047 0.0000 0.0000 45912.3280 -222536.5153 167.0164 -268448.8433 -222048.2688 167.0164 -983.4304 -2469.0309 921491.4634 -983.4304 -2469.0309
ENERGY: 375 18893.7028 19735.2392 5703.0316 180.0533 -335443.7680 22766.6831 0.0000 0.0000 45660.9721 -222504.0858 166.1021 -268165.0580 -222047.0941 166.1021 -539.4858 -2439.8660 921491.4634 -539.4858 -2439.8660
ENERGY: 376 19884.0271 19962.1762 5703.2010 181.1433 -335321.8627 22772.8699 0.0000 0.0000 44434.3277 -222384.1175 161.6399 -266818.4453 -222050.5529 161.6399 -874.6219 -2439.6903 921491.4634 -874.6219 -2439.6903
ENERGY: 377 20646.4606 20251.1592 5706.5521 182.3248 -335763.5798 22794.3772 0.0000 0.0000 43848.2756 -222334.4303 159.5080 -266182.7059 -222041.4013 159.5080 -1819.5855 -2472.4986 921491.4634 -1819.5855 -2472.4986
ENERGY: 378 20473.8098 20495.6594 5711.4639 183.2952 -336584.2276 22821.5835 0.0000 0.0000 44474.7538 -222423.6621 161.7869 -266898.4159 -222044.3967 161.7869 -2972.9872 -2523.3499 921491.4634 -2972.9872 -2523.3499
ENERGY: 379 20419.4577 20623.8792 5716.2160 183.8420 -337495.6096 22854.5151 0.0000 0.0000 45185.6415 -222512.0582 164.3729 -267697.6997 -222047.0129 164.3729 -3997.4172 -2563.3073 921491.4634 -3997.4172 -2563.3073
TIMING: 380 CPU: 178.893, 0.4574/step Wall: 178.893, 0.4574/step, 0.0152467 hours remaining, 3224.523438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 380 21458.1133 20605.4121 5719.3306 183.8284 -338176.3457 22892.6527 0.0000 0.0000 44833.7903 -222483.2183 163.0930 -267317.0086 -222063.6481 163.0930 -4580.2705 -2564.2103 921491.4634 -4580.2705 -2564.2103
ENERGY: 381 22824.3129 20467.0312 5720.1164 183.2929 -338395.2417 22923.6567 0.0000 0.0000 43906.3007 -222370.5309 159.7191 -266276.8317 -222053.0348 159.7191 -4470.7200 -2514.6123 921491.4634 -4470.7200 -2514.6123
ENERGY: 382 22844.1906 20220.4987 5718.3197 182.2157 -338010.6539 22930.5471 0.0000 0.0000 43766.5302 -222348.3520 159.2106 -266114.8822 -222051.0364 159.2106 -3524.7153 -2418.5490 921491.4634 -3524.7153 -2418.5490
ENERGY: 383 21263.6995 19910.9247 5714.6670 180.7420 -337128.0233 22911.2842 0.0000 0.0000 44707.9447 -222438.7612 162.6352 -267146.7059 -222048.1881 162.6352 -2023.0806 -2294.0134 921491.4634 -2023.0806 -2294.0134
ENERGY: 384 19625.4115 19596.0354 5710.5349 179.0647 -336052.0489 22884.2531 0.0000 0.0000 45539.1835 -222517.5658 165.6590 -268056.7492 -222062.0925 165.6590 -569.2380 -2166.9359 921491.4634 -569.2380 -2166.9359
ENERGY: 385 19327.8181 19356.8913 5707.7751 177.4354 -335210.6402 22871.6140 0.0000 0.0000 45299.7172 -222469.3889 164.7879 -267769.1062 -222051.0993 164.7879 215.3515 -2064.3637 921491.4634 215.3515 -2064.3637
ENERGY: 386 19981.2272 19220.9466 5707.6637 175.9385 -334865.1817 22880.7954 0.0000 0.0000 44519.8588 -222378.7515 161.9510 -266898.6103 -222051.0437 161.9510 122.6671 -2011.2429 921491.4634 122.6671 -2011.2429
ENERGY: 387 20367.2858 19202.4845 5710.9354 174.6759 -335109.8724 22905.2740 0.0000 0.0000 44377.1817 -222372.0349 161.4320 -266749.2166 -222053.0050 161.4320 -738.9583 -2019.1689 921491.4634 -738.9583 -2019.1689
ENERGY: 388 20282.3986 19280.0168 5717.2934 173.7038 -335824.1514 22938.2897 0.0000 0.0000 44972.7762 -222459.6730 163.5986 -267432.4491 -222067.4816 163.5986 -2063.8552 -2076.2821 921491.4634 -2063.8552 -2076.2821
ENERGY: 389 20685.9714 19431.2564 5725.6291 173.0778 -336772.2800 22978.5916 0.0000 0.0000 45279.3793 -222498.3744 164.7139 -267777.7537 -222059.2964 164.7139 -3501.7339 -2158.1992 921491.4634 -3501.7339 -2158.1992
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 390 21929.5053 19598.7447 5733.9032 172.7580 -337596.2509 23021.3359 0.0000 0.0000 44698.9838 -222441.0201 162.6026 -267140.0038 -222061.4794 162.6026 -4540.4924 -2229.7774 921491.4634 -4540.4924 -2229.7774
ENERGY: 391 22937.3145 19764.3494 5740.3107 172.7562 -338017.7274 23051.7296 0.0000 0.0000 43987.0073 -222364.2596 160.0126 -266351.2670 -222061.6920 160.0126 -4746.5208 -2270.9348 921491.4634 -4746.5208 -2270.9348
ENERGY: 392 22488.0360 19924.0526 5743.6080 173.0775 -337898.4683 23055.0070 0.0000 0.0000 44125.3371 -222389.3502 160.5158 -266514.6873 -222067.3166 160.5158 -3965.0289 -2276.9602 921491.4634 -3965.0289 -2276.9602
ENERGY: 393 20924.3597 20087.8866 5743.5041 173.6901 -337346.1123 23032.5723 0.0000 0.0000 44913.3821 -222470.7176 163.3825 -267384.0997 -222058.1707 163.3825 -2525.7428 -2257.0109 921491.4634 -2525.7428 -2257.0109
ENERGY: 394 19713.0846 20210.4901 5740.1181 174.4904 -336587.4362 23002.1140 0.0000 0.0000 45247.1174 -222500.0217 164.5966 -267747.1390 -222054.8626 164.5966 -988.4118 -2227.7232 921491.4634 -988.4118 -2227.7232
ENERGY: 395 19644.4018 20265.5067 5734.3763 175.3161 -335972.1477 22982.1017 0.0000 0.0000 44739.8938 -222430.5512 162.7514 -267170.4450 -222052.2370 162.7514 57.9323 -2215.1747 921491.4634 57.9323 -2215.1747
ENERGY: 396 20000.9208 20248.4507 5727.6303 175.9620 -335765.9668 22978.8835 0.0000 0.0000 44270.3052 -222363.8142 161.0432 -266634.1194 -222050.8949 161.0432 285.8965 -2246.0850 921491.4634 285.8965 -2246.0850
ENERGY: 397 19906.7782 20200.7713 5721.4919 176.2273 -336102.8175 22990.0372 0.0000 0.0000 44712.8675 -222394.6442 162.6531 -267107.5117 -222042.6600 162.6531 -376.0862 -2327.2103 921491.4634 -376.0862 -2327.2103
ENERGY: 398 19692.8115 20133.3594 5716.9814 176.0456 -336812.3379 23014.0583 0.0000 0.0000 45592.7322 -222486.3496 165.8538 -268079.0818 -222045.7223 165.8538 -1710.2237 -2443.6966 921491.4634 -1710.2237 -2443.6966
ENERGY: 399 20395.5108 20061.2894 5714.6367 175.4775 -337634.0287 23050.4584 0.0000 0.0000 45731.2027 -222505.4532 166.3575 -268236.6559 -222049.1603 166.3575 -3349.4393 -2564.3621 921491.4634 -3349.4393 -2564.3621
LDB: ============= START OF LOAD BALANCING ============== 194.32
LDB: Largest compute 230 load 0.527534 is 1.2% of average load 45.610615
LDB: Average compute 0.063850 is 0.1% of average load 45.610615
LDB: TIME 194.321 LOAD: AVG 45.6106 MAX 45.7809 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.52 MB
LDB: TIME 194.322 LOAD: AVG 45.6106 MAX 45.7809 PROXIES: TOTAL 115 MAXPE 31 MAXPATCH 2 RefineTorusLB MEM: 3224.52 MB
LDB: TIME 194.322 LOAD: AVG 45.6106 MAX 45.7809 PROXIES: TOTAL 115 MAXPE 31 MAXPATCH 2 RefineTorusLB MEM: 3224.52 MB
LDB: ============== END OF LOAD BALANCING =============== 194.323
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.324
Info: Benchmark time: 4 CPUs 0.457742 s/step 5.29794 days/ns 3224.52 MB memory
TIMING: 400 CPU: 188.054, 0.458063/step Wall: 188.054, 0.458063/step, 0.012724 hours remaining, 3224.523438 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 21983.9557 19981.4884 5714.2278 174.7230 -338264.6728 23090.3526 0.0000 0.0000 44890.2683 -222429.6570 163.2985 -267319.9253 -222060.6831 163.2985 -4748.6079 -2656.9998 921491.4634 -4748.6079 -2656.9998
ENERGY: 401 23053.7073 19909.1479 5715.0562 174.0724 -338477.1025 23114.9565 0.0000 0.0000 44157.6680 -222352.4943 160.6335 -266510.1622 -222050.1989 160.6335 -5384.8817 -2700.1794 921491.4634 -5384.8817 -2700.1794
ENERGY: 402 22444.0481 19835.9110 5715.8942 173.8391 -338107.6289 23109.6376 0.0000 0.0000 44436.8099 -222391.4889 161.6489 -266828.2989 -222049.2225 161.6489 -4939.3797 -2681.7025 921491.4634 -4939.3797 -2681.7025
ENERGY: 403 20784.9696 19778.4829 5715.7218 174.2695 -337239.9785 23077.8401 0.0000 0.0000 45225.5963 -222483.0984 164.5183 -267708.6947 -222046.6853 164.5183 -3613.5979 -2605.7428 921491.4634 -3613.5979 -2605.7428
ENERGY: 404 19687.5954 19735.4029 5713.8114 175.5084 -336169.1141 23038.2899 0.0000 0.0000 45313.8393 -222504.6668 164.8393 -267818.5061 -222060.2370 164.8393 -1967.0747 -2494.0439 921491.4634 -1967.0747 -2494.0439
ENERGY: 405 19798.8801 19696.7725 5710.0281 177.6162 -335317.9347 23008.3947 0.0000 0.0000 44511.4435 -222414.7997 161.9204 -266926.2432 -222047.5589 161.9204 -627.4747 -2380.7862 921491.4634 -627.4747 -2380.7862
ENERGY: 406 20210.3502 19614.0443 5704.4964 180.4779 -334953.8235 22994.4762 0.0000 0.0000 43902.7664 -222347.2120 159.7062 -266249.9784 -222046.2403 159.7062 66.0356 -2300.4795 921491.4634 66.0356 -2300.4795
ENERGY: 407 20044.4886 19493.9063 5698.1032 183.8794 -335181.5229 22996.8161 0.0000 0.0000 44376.0635 -222388.2659 161.4279 -266764.3294 -222047.0770 161.4279 -41.3217 -2272.9969 921491.4634 -41.3217 -2272.9969
ENERGY: 408 19735.8469 19387.6642 5692.2151 187.5226 -335902.8216 23017.8174 0.0000 0.0000 45394.4121 -222487.3433 165.1324 -267881.7554 -222063.5312 165.1324 -920.8280 -2294.1556 921491.4634 -920.8280 -2294.1556
ENERGY: 409 20350.1188 19376.4605 5688.4775 191.1592 -336896.6845 23057.9923 0.0000 0.0000 45733.6058 -222498.8704 166.3663 -268232.4762 -222051.6705 166.3663 -2367.4920 -2346.9325 921491.4634 -2367.4920 -2346.9325
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 410 21850.5212 19470.1800 5687.6649 194.4179 -337813.1845 23106.2029 0.0000 0.0000 45077.0714 -222427.1261 163.9780 -267504.1976 -222054.6428 163.9780 -3838.6213 -2402.0240 921491.4634 -3838.6213 -2402.0240
ENERGY: 411 22931.8003 19651.0974 5689.8740 197.0388 -338354.2245 23140.9047 0.0000 0.0000 44380.5347 -222362.9747 161.4442 -266743.5094 -222056.2115 161.4442 -4745.1593 -2436.8801 921491.4634 -4745.1593 -2436.8801
ENERGY: 412 22535.8953 19878.8218 5694.3233 198.8205 -338356.4976 23146.2937 0.0000 0.0000 44499.5084 -222402.8345 161.8770 -266902.3429 -222068.4601 161.8770 -4717.2141 -2436.3028 921491.4634 -4717.2141 -2436.3028
ENERGY: 413 21130.1420 20138.5247 5699.9334 199.7191 -337872.5321 23125.1117 0.0000 0.0000 45113.2141 -222465.8871 164.1095 -267579.1013 -222055.3455 164.1095 -3850.6271 -2398.9549 921491.4634 -3850.6271 -2398.9549
ENERGY: 414 19987.3858 20381.5505 5705.1135 199.5118 -337122.7800 23094.4559 0.0000 0.0000 45271.6526 -222483.1099 164.6858 -267754.7625 -222052.1626 164.6858 -2501.3242 -2333.9463 921491.4634 -2501.3242 -2333.9463
ENERGY: 415 19745.2665 20572.1259 5708.7452 198.1487 -336456.1974 23071.1993 0.0000 0.0000 44733.2272 -222427.4847 162.7272 -267160.7119 -222049.0348 162.7272 -1174.6450 -2266.5615 921491.4634 -1174.6450 -2266.5615
ENERGY: 416 19942.3167 20661.9896 5710.0857 195.6953 -336157.5861 23063.1717 0.0000 0.0000 44200.2849 -222384.0422 160.7885 -266584.3271 -222052.9645 160.7885 -282.7610 -2224.6896 921491.4634 -282.7610 -2224.6896
ENERGY: 417 20031.3747 20631.3210 5709.0493 192.4696 -336373.1076 23072.1101 0.0000 0.0000 44338.4618 -222398.3210 161.2911 -266736.7829 -222044.6994 161.2911 -112.4550 -2227.1698 921491.4634 -112.4550 -2227.1698
ENERGY: 418 20154.6647 20457.0910 5705.5847 188.6536 -336970.7870 23098.6728 0.0000 0.0000 44915.1422 -222450.9779 163.3889 -267366.1201 -222046.7094 163.3889 -671.8543 -2269.9920 921491.4634 -671.8543 -2269.9920
ENERGY: 419 20790.7631 20185.5525 5700.4810 184.6055 -337717.8761 23139.8026 0.0000 0.0000 45250.3101 -222466.3614 164.6082 -267716.6715 -222049.5951 164.6082 -1783.9420 -2336.6463 921491.4634 -1783.9420 -2336.6463
TIMING: 420 CPU: 197.169, 0.455727/step Wall: 197.169, 0.455727/step, 0.0101273 hours remaining, 3224.523438 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 21812.8760 19887.3913 5695.0414 180.6770 -338321.5518 23183.0577 0.0000 0.0000 45121.9778 -222440.5306 164.1414 -267562.5084 -222061.1149 164.1414 -3051.6030 -2402.9273 921491.4634 -3051.6030 -2402.9273
ENERGY: 421 22491.6107 19639.6138 5690.9237 177.2518 -338550.3543 23210.1387 0.0000 0.0000 44931.8962 -222408.9194 163.4499 -267340.8156 -222052.6020 163.4499 -4041.3727 -2452.8635 921491.4634 -4041.3727 -2452.8635
ENERGY: 422 22275.7616 19449.5352 5688.9976 174.4058 -338225.0323 23208.5478 0.0000 0.0000 45004.7084 -222423.0759 163.7148 -267427.7843 -222052.8451 163.7148 -4363.1153 -2465.6372 921491.4634 -4363.1153 -2465.6372
ENERGY: 423 21418.8987 19324.4276 5689.6736 172.2146 -337416.8965 23180.6043 0.0000 0.0000 45183.9713 -222447.1065 164.3669 -267631.0778 -222051.5234 164.3669 -3955.8307 -2434.9304 921491.4634 -3955.8307 -2434.9304
ENERGY: 424 20531.3311 19270.7818 5692.6542 170.6563 -336406.2775 23140.4649 0.0000 0.0000 45151.0457 -222449.3435 164.2471 -267600.3892 -222060.4131 164.2471 -3030.1609 -2370.2033 921491.4634 -3030.1609 -2370.2033
ENERGY: 425 19942.3360 19314.5610 5697.3263 169.6877 -335607.5216 23103.7923 0.0000 0.0000 44956.0481 -222423.7702 163.5377 -267379.8183 -222050.7967 163.5377 -1980.9652 -2297.0090 921491.4634 -1980.9652 -2297.0090
ENERGY: 426 19603.3346 19432.3071 5702.4946 169.0990 -335270.6885 23080.2895 0.0000 0.0000 44862.7386 -222420.4251 163.1983 -267283.1636 -222049.1094 163.1983 -1125.8048 -2237.7214 921491.4634 -1125.8048 -2237.7214
ENERGY: 427 19598.5315 19595.2898 5707.1504 168.7509 -335498.4327 23074.5009 0.0000 0.0000 44915.2776 -222438.9314 163.3894 -267354.2091 -222048.7342 163.3894 -741.9007 -2207.6355 921491.4634 -741.9007 -2207.6355
ENERGY: 428 20140.4228 19760.4169 5710.4628 168.5259 -336199.9855 23087.7679 0.0000 0.0000 44884.2596 -222448.1296 163.2766 -267332.3892 -222058.0549 163.2766 -935.5728 -2206.9582 921491.4634 -935.5728 -2206.9582
ENERGY: 429 21147.3676 19912.0616 5712.1357 168.3557 -337181.5909 23116.4523 0.0000 0.0000 44706.5245 -222418.6934 162.6300 -267125.2179 -222045.4881 162.6300 -1630.8082 -2233.4559 921491.4634 -1630.8082 -2233.4559
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9873 20024.3735 5712.1699 168.1897 -338096.9207 23149.4495 0.0000 0.0000 44626.3101 -222402.4406 162.3383 -267028.7507 -222047.3915 162.3383 -2472.2455 -2268.0462 921491.4634 -2472.2455 -2268.0462
ENERGY: 431 22204.1023 20111.4150 5711.2600 168.0704 -338644.7646 23172.3807 0.0000 0.0000 44858.4630 -222419.0732 163.1828 -267277.5362 -222048.7169 163.1828 -3116.2805 -2293.5589 921491.4634 -3116.2805 -2293.5589
ENERGY: 432 21768.3706 20188.6722 5710.3546 168.1086 -338651.2103 23176.0848 0.0000 0.0000 45177.9909 -222461.6286 164.3451 -267639.6195 -222065.9059 164.3451 -3350.2743 -2296.1496 921491.4634 -3350.2743 -2296.1496
ENERGY: 433 21200.9074 20275.9662 5710.3763 168.4633 -338164.0638 23162.2912 0.0000 0.0000 45192.9282 -222453.1312 164.3995 -267646.0594 -222052.5983 164.3995 -3187.3733 -2272.1274 921491.4634 -3187.3733 -2272.1274
ENERGY: 434 20730.3413 20338.1499 5711.6060 169.3247 -337394.2703 23140.7737 0.0000 0.0000 44883.0996 -222420.9752 163.2724 -267304.0748 -222051.1463 163.2724 -2694.3106 -2227.7883 921491.4634 -2694.3106 -2227.7883
ENERGY: 435 20235.2200 20362.4015 5714.0003 170.8455 -336680.6553 23123.4098 0.0000 0.0000 44675.9838 -222398.7945 162.5190 -267074.7783 -222049.5889 162.5190 -2061.3579 -2179.8949 921491.4634 -2061.3579 -2179.8949
ENERGY: 436 19670.9241 20349.9981 5717.2345 173.0864 -336303.8811 23119.9078 0.0000 0.0000 44847.0983 -222425.6319 163.1414 -267272.7302 -222059.6961 163.1414 -1520.6595 -2145.1616 921491.4634 -1520.6595 -2145.1616
ENERGY: 437 19434.5514 20329.5092 5720.9893 175.9827 -336411.9784 23136.3868 0.0000 0.0000 45159.2687 -222455.2903 164.2770 -267614.5591 -222050.7505 164.2770 -1319.1165 -2134.4848 921491.4634 -1319.1165 -2134.4848
ENERGY: 438 19935.1530 20278.6096 5724.6883 179.3848 -336899.4578 23173.5519 0.0000 0.0000 45148.1325 -222459.9376 164.2365 -267608.0702 -222051.5671 164.2365 -1493.0939 -2145.0880 921491.4634 -1493.0939 -2145.0880
ENERGY: 439 21052.7405 20184.4296 5727.7928 183.0561 -337561.7722 23224.7482 0.0000 0.0000 44760.8214 -222428.1835 162.8276 -267189.0049 -222052.7968 162.8276 -1936.1988 -2169.8747 921491.4634 -1936.1988 -2169.8747
TIMING: 440 CPU: 206.284, 0.455761/step Wall: 206.284, 0.455761/step, 0.00759602 hours remaining, 3224.523438 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 22071.5684 20036.2372 5729.7526 186.7201 -338123.1811 23276.2486 0.0000 0.0000 44417.5462 -222405.1079 161.5788 -266822.6541 -222059.4773 161.5788 -2408.4614 -2197.9671 921491.4634 -2408.4614 -2197.9671
ENERGY: 441 22355.5488 19860.0410 5730.3487 190.1145 -338361.1721 23313.2045 0.0000 0.0000 44502.6966 -222409.2179 161.8886 -266911.9145 -222050.0860 161.8886 -2716.1030 -2221.5314 921491.4634 -2716.1030 -2221.5314
ENERGY: 442 21853.6121 19664.5351 5729.4854 192.9411 -338090.1539 23327.1567 0.0000 0.0000 44880.6322 -222441.7913 163.2634 -267322.4235 -222049.7755 163.2634 -2710.5579 -2229.0696 921491.4634 -2710.5579 -2229.0696
ENERGY: 443 21064.3318 19487.0724 5727.6164 194.9329 -337369.3156 23320.0157 0.0000 0.0000 45118.1110 -222457.2354 164.1273 -267575.3464 -222048.5996 164.1273 -2448.1651 -2220.3531 921491.4634 -2448.1651 -2220.3531
ENERGY: 444 20449.3364 19357.2691 5725.4095 195.8735 -336464.1931 23301.5275 0.0000 0.0000 44987.7180 -222447.0592 163.6530 -267434.7772 -222057.9801 163.6530 -2090.2102 -2206.4401 921491.4634 -2090.2102 -2206.4401
ENERGY: 445 20125.5608 19307.2517 5723.6513 195.6942 -335759.3922 23283.8138 0.0000 0.0000 44708.7158 -222414.7045 162.6380 -267123.4203 -222046.5432 162.6380 -1846.9627 -2201.6927 921491.4634 -1846.9627 -2201.6927
ENERGY: 446 19947.6805 19324.9004 5722.5429 194.3235 -335494.5715 23276.0450 0.0000 0.0000 44620.2949 -222408.7843 162.3164 -267029.0791 -222046.1624 162.3164 -1800.7518 -2216.7295 921491.4634 -1800.7518 -2216.7295
ENERGY: 447 19914.2848 19416.0208 5722.2107 191.8641 -335769.4406 23282.7457 0.0000 0.0000 44816.5092 -222425.8054 163.0301 -267242.3146 -222046.8346 163.0301 -1993.3112 -2253.0604 921491.4634 -1993.3112 -2253.0604
ENERGY: 448 20187.5920 19583.6797 5722.5764 188.5554 -336503.1804 23303.8903 0.0000 0.0000 45065.6679 -222451.2186 163.9365 -267516.8865 -222059.3481 163.9365 -2372.1877 -2303.7899 921491.4634 -2372.1877 -2303.7899
ENERGY: 449 20877.4059 19832.6984 5723.5712 184.8596 -337500.9076 23334.5922 0.0000 0.0000 45101.1683 -222446.6120 164.0657 -267547.7803 -222047.7100 164.0657 -2827.1081 -2356.1407 921491.4634 -2827.1081 -2356.1407
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4854 20108.1298 5724.4776 181.0897 -338419.3255 23364.6243 0.0000 0.0000 44854.3099 -222432.2087 163.1677 -267286.5186 -222048.7861 163.1677 -3116.6758 -2394.3896 921491.4634 -3116.6758 -2394.3896
ENERGY: 451 22355.5905 20357.7254 5724.7144 177.6517 -338952.0914 23381.8008 0.0000 0.0000 44542.6987 -222411.9101 162.0341 -266954.6088 -222048.8246 162.0341 -3074.2535 -2405.7797 921491.4634 -3074.2535 -2405.7797
ENERGY: 452 22246.2017 20536.0134 5723.8953 174.8859 -338927.1545 23378.0944 0.0000 0.0000 44452.9195 -222415.1441 161.7075 -266868.0637 -222059.6372 161.7075 -2659.9608 -2384.7567 921491.4634 -2659.9608 -2384.7567
ENERGY: 453 21399.8727 20641.1312 5722.2878 173.1350 -338392.7941 23354.5909 0.0000 0.0000 44683.7032 -222418.0732 162.5470 -267101.7764 -222043.5374 162.5470 -2048.3340 -2342.4668 921491.4634 -2048.3340 -2342.4668
ENERGY: 454 20248.3380 20654.1376 5720.2217 172.3637 -337567.1420 23320.6903 0.0000 0.0000 45008.1464 -222443.2444 163.7273 -267451.3907 -222041.8393 163.7273 -1453.4579 -2293.1450 921491.4634 -1453.4579 -2293.1450
ENERGY: 455 19486.7906 20584.7122 5718.4844 172.5169 -336790.6457 23290.4025 0.0000 0.0000 45086.5785 -222451.1605 164.0126 -267537.7391 -222040.8572 164.0126 -1151.8822 -2255.8571 921491.4634 -1151.8822 -2255.8571
ENERGY: 456 19493.3721 20440.6802 5717.7556 173.4248 -336350.1080 23274.9633 0.0000 0.0000 44811.4722 -222438.4398 163.0118 -267249.9120 -222055.3489 163.0118 -1305.5002 -2245.5823 921491.4634 -1305.5002 -2245.5823
ENERGY: 457 20047.4928 20251.9437 5718.5580 174.9241 -336395.8170 23277.8277 0.0000 0.0000 44521.8702 -222403.2006 161.9583 -266925.0707 -222049.4136 161.9583 -1906.4163 -2263.5013 921491.4634 -1906.4163 -2263.5013
ENERGY: 458 20585.8433 20019.2725 5720.7061 176.6081 -336835.0965 23294.7176 0.0000 0.0000 44632.7887 -222405.1603 162.3618 -267037.9490 -222051.2826 162.3618 -2684.6986 -2301.0427 921491.4634 -2684.6986 -2301.0427
ENERGY: 459 20903.4944 19784.9692 5724.0021 178.1985 -337468.1650 23318.6986 0.0000 0.0000 45113.9366 -222444.8656 164.1121 -267558.8022 -222053.1415 164.1121 -3350.5832 -2341.5796 921491.4634 -3350.5832 -2341.5796
TIMING: 460 CPU: 215.392, 0.455432/step Wall: 215.392, 0.455432/step, 0.00506035 hours remaining, 3224.523438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6140 19597.9066 5728.0971 179.4910 -338014.3773 23341.8005 0.0000 0.0000 45423.8563 -222480.6117 165.2395 -267904.4681 -222064.6837 165.2395 -3669.8203 -2365.2412 921491.4634 -3669.8203 -2365.2412
ENERGY: 461 21862.8766 19507.1078 5732.5753 180.4333 -338251.6222 23355.3939 0.0000 0.0000 45154.6134 -222458.6220 164.2601 -267613.2354 -222058.0508 164.2601 -3556.1668 -2361.1799 921491.4634 -3556.1668 -2361.1799
ENERGY: 462 22264.2257 19487.8112 5736.4822 180.9531 -337988.7176 23351.1090 0.0000 0.0000 44559.9288 -222408.2075 162.0968 -266968.1363 -222056.7215 162.0968 -2954.8202 -2323.4250 921491.4634 -2954.8202 -2323.4250
ENERGY: 463 21821.1790 19513.9018 5738.9361 181.1160 -337284.1033 23326.9482 0.0000 0.0000 44313.4569 -222388.5653 161.2002 -266702.0222 -222054.6243 161.2002 -2012.4424 -2264.0777 921491.4634 -2012.4424 -2264.0777
ENERGY: 464 20535.2458 19559.9274 5739.2518 181.0096 -336389.3848 23291.1946 0.0000 0.0000 44654.0267 -222428.7289 162.4391 -267082.7556 -222058.5733 162.4391 -1050.9226 -2205.5268 921491.4634 -1050.9226 -2205.5268
ENERGY: 465 19322.7825 19631.8855 5737.2899 180.7155 -335701.1541 23259.7396 0.0000 0.0000 45094.5688 -222474.1724 164.0416 -267568.7411 -222052.9392 164.0416 -512.3345 -2174.4008 921491.4634 -512.3345 -2174.4008
ENERGY: 466 19088.4511 19708.3581 5733.2107 180.2808 -335443.7734 23245.0609 0.0000 0.0000 45020.7908 -222467.6210 163.7733 -267488.4118 -222052.9790 163.7733 -630.3312 -2182.6710 921491.4634 -630.3312 -2182.6710
ENERGY: 467 19841.8070 19783.1742 5727.6704 179.7757 -335721.0960 23249.4535 0.0000 0.0000 44523.6666 -222415.5487 161.9649 -266939.2153 -222054.3499 161.9649 -1393.6028 -2232.5923 921491.4634 -1393.6028 -2232.5923
ENERGY: 468 20761.8482 19845.4942 5721.5089 179.2779 -336451.5674 23265.8131 0.0000 0.0000 44291.6587 -222385.9664 161.1209 -266677.6252 -222056.3592 161.1209 -2508.6713 -2314.1339 921491.4634 -2508.6713 -2314.1339
ENERGY: 469 21236.3017 19910.2022 5715.6824 178.8504 -337458.3211 23284.3967 0.0000 0.0000 44720.3205 -222412.5674 162.6802 -267132.8879 -222046.0751 162.6802 -3596.7406 -2405.7972 921491.4634 -3596.7406 -2405.7972
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1734 19972.8935 5710.9491 178.5947 -338383.2518 23297.0678 0.0000 0.0000 45346.4575 -222466.1158 164.9579 -267812.5732 -222047.6090 164.9579 -4259.6997 -2477.6831 921491.4634 -4259.6997 -2477.6831
ENERGY: 471 21732.8682 20054.6837 5707.9626 178.5890 -338913.2462 23297.5090 0.0000 0.0000 45471.3365 -222470.2972 165.4122 -267941.6337 -222047.5361 165.4122 -4290.5685 -2504.3175 921491.4634 -4290.5685 -2504.3175
ENERGY: 472 22081.2364 20161.5554 5707.0091 178.9047 -338870.6777 23279.4496 0.0000 0.0000 45028.5295 -222433.9931 163.8014 -267462.5226 -222059.5059 163.8014 -3659.7361 -2479.9183 921491.4634 -3659.7361 -2479.9183
ENERGY: 473 21866.1362 20289.3428 5707.9843 179.6165 -338307.7200 23240.7368 0.0000 0.0000 44634.5173 -222389.3861 162.3681 -267023.9034 -222043.8541 162.3681 -2556.3615 -2408.1656 921491.4634 -2556.3615 -2408.1656
ENERGY: 474 20842.9703 20372.0987 5710.2160 180.7466 -337438.4560 23189.2353 0.0000 0.0000 44733.2307 -222409.9583 162.7272 -267143.1890 -222041.2621 162.7272 -1295.5522 -2316.2727 921491.4634 -1295.5522 -2316.2727
ENERGY: 475 19674.2080 20371.7674 5712.9876 182.2512 -336604.2320 23142.3822 0.0000 0.0000 45070.2139 -222450.4218 163.9531 -267520.6356 -222039.4532 163.9531 -344.6446 -2232.2125 921491.4634 -344.6446 -2232.2125
ENERGY: 476 19235.7863 20282.0274 5715.7683 184.0125 -336100.0912 23115.8470 0.0000 0.0000 45106.0633 -222460.5864 164.0835 -267566.6497 -222053.6141 164.0835 -92.4048 -2183.0654 921491.4634 -92.4048 -2183.0654
ENERGY: 477 19704.7251 20145.9812 5718.4976 185.9230 -336101.8799 23114.2943 0.0000 0.0000 44812.3210 -222420.1377 163.0149 -267232.4587 -222044.8414 163.0149 -667.4945 -2171.8229 921491.4634 -667.4945 -2171.8229
ENERGY: 478 20493.4777 19974.7637 5721.0254 187.7262 -336537.4046 23131.2463 0.0000 0.0000 44627.0335 -222402.1318 162.3409 -267029.1653 -222047.4110 162.3409 -1807.1605 -2198.7957 921491.4634 -1807.1605 -2198.7957
ENERGY: 479 21125.3059 19793.3956 5723.3295 189.2099 -337215.5849 23156.6774 0.0000 0.0000 44802.1580 -222425.5086 162.9779 -267227.6666 -222050.5463 162.9779 -3089.8518 -2246.7919 921491.4634 -3089.8518 -2246.7919
TIMING: 480 CPU: 224.506, 0.455705/step Wall: 224.506, 0.455705/step, 0.0025317 hours remaining, 3224.523438 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 21624.0330 19623.1965 5725.3111 190.1901 -337854.6793 23181.5120 0.0000 0.0000 45051.6816 -222458.7550 163.8856 -267510.4366 -222064.6210 163.8856 -4077.7328 -2291.4892 921491.4634 -4077.7328 -2291.4892
ENERGY: 481 22092.4858 19510.0434 5727.0952 190.6351 -338199.2487 23196.7961 0.0000 0.0000 45041.3369 -222440.8563 163.8480 -267482.1931 -222052.5265 163.8480 -4466.2396 -2305.6733 921491.4634 -4466.2396 -2305.6733
ENERGY: 482 22186.3470 19466.6796 5728.4963 190.3598 -338044.5424 23192.7476 0.0000 0.0000 44865.8522 -222414.0600 163.2096 -267279.9122 -222051.4112 163.2096 -4059.3100 -2278.0615 921491.4634 -4059.3100 -2278.0615
ENERGY: 483 21553.1414 19511.5746 5729.5660 189.3227 -337426.2190 23165.8741 0.0000 0.0000 44861.8972 -222414.8430 163.1953 -267276.7402 -222048.7672 163.1953 -2964.1723 -2216.4116 921491.4634 -2964.1723 -2216.4116
ENERGY: 484 20460.8927 19631.1939 5730.2465 187.5455 -336590.8889 23126.1352 0.0000 0.0000 45003.6034 -222451.2716 163.7107 -267454.8751 -222059.8741 163.7107 -1565.2425 -2143.1851 921491.4634 -1565.2425 -2143.1851
ENERGY: 485 19688.7724 19800.2991 5730.5256 185.2458 -335902.5871 23092.8471 0.0000 0.0000 44955.5726 -222449.3245 163.5360 -267404.8971 -222045.9605 163.5360 -422.1569 -2086.8737 921491.4634 -422.1569 -2086.8737
ENERGY: 486 19602.5430 19954.8175 5729.7197 182.4662 -335612.3572 23080.3808 0.0000 0.0000 44645.9118 -222416.5181 162.4096 -267062.4299 -222044.6760 162.4096 87.3181 -2070.0983 921491.4634 87.3181 -2070.0983
ENERGY: 487 19881.0927 20072.0212 5727.4347 179.4360 -335846.4485 23091.0545 0.0000 0.0000 44503.3496 -222392.0599 161.8910 -266895.4095 -222045.2406 161.8910 -192.2346 -2106.8841 921491.4634 -192.2346 -2106.8841
ENERGY: 488 20125.2098 20156.1361 5723.5440 176.4338 -336552.5456 23118.8618 0.0000 0.0000 44827.0560 -222425.3040 163.0685 -267252.3600 -222057.1937 163.0685 -1145.7534 -2194.6680 921491.4634 -1145.7534 -2194.6680
ENERGY: 489 20526.8872 20236.4610 5718.5748 173.8639 -337540.4659 23156.7312 0.0000 0.0000 45266.1006 -222461.8472 164.6656 -267727.9478 -222045.6084 164.6656 -2511.2405 -2316.7066 921491.4634 -2511.2405 -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 21410.7491 20292.9024 5712.8912 171.8438 -338458.1364 23196.4879 0.0000 0.0000 45213.5629 -222459.6992 164.4745 -267673.2621 -222048.2206 164.4745 -3823.4040 -2437.4155 921491.4634 -3823.4040 -2437.4155
ENERGY: 491 22430.4641 20312.1363 5707.3794 170.5404 -338984.5797 23226.0939 0.0000 0.0000 44733.0088 -222404.9567 162.7264 -267137.9655 -222049.4637 162.7264 -4629.6936 -2524.6215 921491.4634 -4629.6936 -2524.6215
ENERGY: 492 22612.9547 20289.6813 5702.9944 170.0208 -338937.5821 23232.7207 0.0000 0.0000 44542.1951 -222387.0151 162.0323 -266929.2102 -222060.3861 162.0323 -4606.8526 -2557.4730 921491.4634 -4606.8526 -2557.4730
ENERGY: 493 21558.2187 20260.7377 5700.7778 170.3200 -338358.0638 23214.0539 0.0000 0.0000 45033.8230 -222420.1327 163.8207 -267453.9557 -222046.5901 163.8207 -3796.3819 -2540.0997 921491.4634 -3796.3819 -2540.0997
ENERGY: 494 20068.3366 20225.0263 5700.9805 171.2193 -337454.3841 23183.0798 0.0000 0.0000 45622.2475 -222483.4940 165.9612 -268105.7415 -222044.0868 165.9612 -2500.8992 -2482.1069 921491.4634 -2500.8992 -2482.1069
ENERGY: 495 19383.2464 20186.8302 5703.5926 172.5416 -336566.9892 23159.4628 0.0000 0.0000 45484.1230 -222477.1926 165.4587 -267961.3156 -222041.5564 165.4587 -1249.6836 -2407.3057 921491.4634 -1249.6836 -2407.3057
ENERGY: 496 19722.4835 20130.6473 5708.0350 174.0933 -335998.7161 23154.2640 0.0000 0.0000 44699.5270 -222409.6659 162.6046 -267109.1930 -222049.0670 162.6046 -478.8996 -2343.4750 921491.4634 -478.8996 -2343.4750
ENERGY: 497 20212.6667 20059.9177 5713.4612 175.7242 -335952.5048 23166.3550 0.0000 0.0000 44261.0290 -222363.3510 161.0095 -266624.3800 -222042.7499 161.0095 -421.0231 -2316.7928 921491.4634 -421.0231 -2316.7928
ENERGY: 498 20182.0164 19957.1216 5718.5596 177.2604 -336366.4939 23189.3590 0.0000 0.0000 44728.2536 -222413.9233 162.7091 -267142.1769 -222044.5219 162.7091 -993.4679 -2331.6472 921491.4634 -993.4679 -2331.6472
ENERGY: 499 20158.0679 19847.7309 5722.4089 178.6361 -337058.4831 23219.2409 0.0000 0.0000 45439.2644 -222493.1338 165.2956 -267932.3983 -222047.2061 165.2956 -2020.8688 -2376.3390 921491.4634 -2020.8688 -2376.3390
Info: Benchmark time: 4 CPUs 0.454932 s/step 5.26542 days/ns 3224.52 MB memory
TIMING: 500 CPU: 233.547, 0.452042/step Wall: 233.547, 0.452042/step, 0 hours remaining, 3224.523438 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 20974.8940 19756.6585 5724.4523 179.8271 -337741.4203 23251.1014 0.0000 0.0000 45359.0776 -222495.4094 165.0039 -267854.4871 -222061.0912 165.0039 -3197.5171 -2425.4143 921491.4634 -3197.5171 -2425.4143
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.973 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.973 MB of memory in use
====================================================
WallClock: 240.698547 CPUTime: 240.698547 Memory: 3229.972656 MB
[Partition 0][Node 0] End of program
Application 1110332 resources: utime ~946s, stime ~18s, Rss ~127508, inblocks ~66551, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=240.698547
CPU=240.698547
MEM=3229.972656
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 15 18:51 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 15 18:51 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 15 18:51 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 15 18:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189483 Dec 15 18:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 15 18:46 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 15 18:46 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 15 18:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 15 18:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 15 18:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 15 18:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 15 18:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 15 18:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 15 18:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 15 18:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 15 18:21 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/jenkins2287489878203459162.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}
