Skipping 718 KB..
Full Log
ENERGY: 86 22361.2996 19720.3241 5758.5583 173.6091 -332514.8440 22921.5212 0.0000 0.0000 39480.2342 -222099.2975 143.6182 -261579.5316 -222396.4730 143.6182 -1408.4309 -1992.0456 921491.4634 -1408.4309 -1992.0456
ENERGY: 87 21898.5873 20858.8153 5750.7775 172.4431 -333299.4430 22859.7331 0.0000 0.0000 39513.3018 -222245.7848 143.7385 -261759.0866 -222398.3223 143.7385 -1739.2136 -2002.6067 921491.4634 -1739.2136 -2002.6067
ENERGY: 88 19807.2124 21236.1263 5737.2297 173.3188 -334313.4194 22793.0785 0.0000 0.0000 42007.3339 -222559.1199 152.8111 -264566.4537 -222408.9127 152.8111 -2036.3959 -2043.8955 921491.4634 -2036.3959 -2043.8955
ENERGY: 89 20138.2921 20745.5547 5719.3133 176.3160 -335202.8321 22743.6988 0.0000 0.0000 43113.7497 -222565.9074 156.8360 -265679.6571 -222389.0013 156.8360 -2409.8246 -2071.1686 921491.4634 -2409.8246 -2071.1686
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 90 22711.6048 19691.0676 5699.8921 181.1111 -335712.1130 22705.2746 0.0000 0.0000 42377.6758 -222345.4869 154.1583 -264723.1627 -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 42539.3830 -222260.4521 154.7466 -264799.8350 -222388.3579 154.7466 -2499.0953 -2078.8098 921491.4634 -2499.0953 -2078.8098
ENERGY: 92 21523.8221 18060.4536 5672.6738 194.0387 -335129.0784 22543.7115 0.0000 0.0000 44665.3079 -222469.0709 162.4801 -267134.3788 -222389.6059 162.4801 -1910.9683 -2078.9076 921491.4634 -1910.9683 -2078.9076
ENERGY: 93 18788.3597 18281.5995 5671.3716 200.9119 -334319.2923 22433.7892 0.0000 0.0000 46311.8833 -222631.3771 168.4699 -268943.2604 -222367.8861 168.4699 -1385.1718 -2068.2565 921491.4634 -1385.1718 -2068.2565
ENERGY: 94 18530.9328 19242.9914 5679.4418 207.1113 -333693.3060 22351.2077 0.0000 0.0000 45144.9170 -222536.7040 164.2248 -267681.6211 -222367.0865 164.2248 -1347.2600 -2063.4575 921491.4634 -1347.2600 -2063.4575
ENERGY: 95 20040.4586 20654.3436 5695.3526 212.0382 -333603.6976 22302.2586 0.0000 0.0000 42387.6997 -222311.5463 154.1948 -264699.2460 -222367.4634 154.1948 -1793.7082 -2083.6407 921491.4634 -1793.7082 -2083.6407
ENERGY: 96 20584.1064 22050.3789 5716.0483 215.1945 -334091.8991 22265.7317 0.0000 0.0000 40970.7076 -222289.7318 149.0402 -263260.4393 -222356.3662 149.0402 -2389.6990 -2142.8256 921491.4634 -2389.6990 -2142.8256
ENERGY: 97 19809.1309 22949.2012 5737.7476 216.2279 -334886.9640 22225.8322 0.0000 0.0000 41505.2397 -222443.5846 150.9847 -263948.8243 -222346.5816 150.9847 -2891.9374 -2214.1665 921491.4634 -2891.9374 -2214.1665
ENERGY: 98 19979.7556 22958.8353 5756.3117 214.8681 -335616.8431 22188.2114 0.0000 0.0000 41993.4226 -222525.4383 152.7605 -264518.8609 -222347.6399 152.7605 -3206.5490 -2272.3421 921491.4634 -3206.5490 -2272.3421
ENERGY: 99 22029.8951 22024.0795 5768.5777 211.0972 -336009.8229 22159.4701 0.0000 0.0000 41425.1768 -222391.5265 150.6934 -263816.7032 -222348.0706 150.6934 -3235.8098 -2296.7688 921491.4634 -3235.8098 -2296.7688
LDB: ============= START OF LOAD BALANCING ============== 54.3794
LDB: Largest compute 200 load 0.433738 is 1.2% of average load 36.849128
LDB: Average compute 0.051622 is 0.1% of average load 36.849128
LDB: Partitioning computes with target load 3.684913
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055758
LDB: ============== END OF LOAD BALANCING =============== 54.3815
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.3823
Info: Initial time: 4 CPUs 0.475 s/step 5.49769 days/ns 3221.61 MB memory
TIMING: 100 CPU: 48.472, 0.474053/step Wall: 48.472, 0.474053/step, 0.0526726 hours remaining, 3221.605469 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 23587.3019 20475.3729 5773.0375 205.1509 -335896.4622 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 -335238.2412 22065.3980 0.0000 0.0000 43590.2956 -222393.4876 158.5695 -265983.7832 -222319.4708 158.5695 -1880.2673 -2262.6846 921491.4634 -1880.2673 -2262.6846
ENERGY: 102 19420.3335 17951.6561 5762.8059 188.8891 -334088.2234 21980.7895 0.0000 0.0000 46153.7218 -222630.0275 167.8946 -268783.7493 -222317.3983 167.8946 -924.5794 -2215.2271 921491.4634 -924.5794 -2215.2271
ENERGY: 103 18429.6588 17794.2510 5753.5002 180.0834 -332765.4445 21898.9792 0.0000 0.0000 46061.5884 -222647.3836 167.5594 -268708.9719 -222315.0116 167.5594 -521.9323 -2162.1475 921491.4634 -521.9323 -2162.1475
ENERGY: 104 20135.5161 18313.1191 5745.4365 171.9705 -331716.6193 21838.6802 0.0000 0.0000 43114.8218 -222397.0750 156.8399 -265511.8968 -222300.0344 156.8399 -904.7452 -2132.5694 921491.4634 -904.7452 -2132.5694
ENERGY: 105 21674.8147 19112.5119 5740.5773 165.3638 -331353.5906 21791.8563 0.0000 0.0000 40663.3131 -222205.1535 147.9220 -262868.4666 -222297.2864 147.9220 -1781.0302 -2140.0925 921491.4634 -1781.0302 -2140.0925
ENERGY: 106 20688.3525 19760.1603 5739.0355 160.9482 -331684.6913 21743.4748 0.0000 0.0000 41270.8908 -222321.8291 150.1322 -263592.7199 -222299.8105 150.1322 -2687.8655 -2192.8737 921491.4634 -2687.8655 -2192.8737
ENERGY: 107 18828.1851 20041.3660 5739.7936 159.1631 -332486.5662 21693.8616 0.0000 0.0000 43452.4231 -222571.7737 158.0680 -266024.1968 -222302.3926 158.0680 -3435.4056 -2264.9714 921491.4634 -3435.4056 -2264.9714
ENERGY: 108 19374.7527 19955.6335 5740.9974 160.1493 -333435.9264 21654.4582 0.0000 0.0000 43952.1728 -222597.7626 159.8859 -266549.9354 -222305.0565 159.8859 -3989.5484 -2325.7046 921491.4634 -3989.5484 -2325.7046
ENERGY: 109 22394.0521 19651.8555 5740.7059 163.7566 -334323.6679 21623.9120 0.0000 0.0000 42380.9037 -222368.4820 154.1701 -264749.3857 -222289.2483 154.1701 -4162.2878 -2354.5143 921491.4634 -4162.2878 -2354.5143
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 -334907.1601 21583.6717 0.0000 0.0000 41568.0398 -222222.9600 151.2131 -263790.9998 -222288.3778 151.2131 -3608.1962 -2356.1915 921491.4634 -3608.1962 -2356.1915
ENERGY: 111 22660.5936 19186.3868 5728.6091 176.9885 -335028.8262 21518.8536 0.0000 0.0000 43385.4035 -222371.9911 157.8242 -265757.3946 -222286.8997 157.8242 -2331.3777 -2338.2312 921491.4634 -2331.3777 -2338.2312
ENERGY: 112 19381.8199 19463.5170 5716.4074 185.3624 -334677.6374 21440.9489 0.0000 0.0000 45860.8185 -222628.7633 166.8291 -268489.5818 -222302.4568 166.8291 -894.2293 -2309.1963 921491.4634 -894.2293 -2309.1963
ENERGY: 113 18216.1581 20180.8084 5702.4491 194.0323 -334046.4825 21376.2232 0.0000 0.0000 45761.5815 -222615.2299 166.4681 -268376.8114 -222273.7400 166.4681 -55.6424 -2273.8625 921491.4634 -55.6424 -2273.8625
ENERGY: 114 19843.9972 21062.4095 5689.3793 202.2945 -333472.4288 21337.7637 0.0000 0.0000 42964.6870 -222371.8976 156.2937 -265336.5847 -222272.2452 156.2937 -128.5963 -2261.6571 921491.4634 -128.5963 -2261.6571
ENERGY: 115 21448.4484 21679.6563 5680.2429 209.5308 -333239.9679 21316.4507 0.0000 0.0000 40710.1056 -222195.5331 148.0922 -262905.6387 -222272.7006 148.0922 -905.3247 -2296.5621 921491.4634 -905.3247 -2296.5621
ENERGY: 116 20838.2582 21694.4197 5677.2615 215.2237 -333429.0367 21301.4964 0.0000 0.0000 41385.0931 -222317.2842 150.5476 -263702.3774 -222276.5256 150.5476 -2000.5239 -2380.1423 921491.4634 -2000.5239 -2380.1423
ENERGY: 117 19309.7303 21105.1712 5681.4214 219.0426 -333858.2253 21295.0741 0.0000 0.0000 43733.0003 -222514.7853 159.0886 -266247.7856 -222254.7024 159.0886 -3196.9893 -2479.5443 921491.4634 -3196.9893 -2479.5443
ENERGY: 118 19488.7485 20180.1711 5691.5867 220.7069 -334305.8417 21303.6951 0.0000 0.0000 44852.5145 -222568.4189 163.1611 -267420.9334 -222257.5956 163.1611 -4287.8518 -2560.8627 921491.4634 -4287.8518 -2560.8627
ENERGY: 119 21608.8170 19327.4368 5705.7183 220.1523 -334582.5766 21318.6507 0.0000 0.0000 43971.5398 -222430.2616 159.9564 -266401.8014 -222258.7218 159.9564 -4948.0952 -2603.4635 921491.4634 -4948.0952 -2603.4635
LDB: ============= START OF LOAD BALANCING ============== 63.8435
LDB: ============== END OF LOAD BALANCING =============== 63.8436
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.8441
TIMING: 120 CPU: 57.9329, 0.473041/step Wall: 57.9329, 0.473041/step, 0.0499321 hours remaining, 3221.808594 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 -334559.3219 21317.8986 0.0000 0.0000 42838.0031 -222342.5509 155.8329 -265180.5540 -222260.9692 155.8329 -4802.3839 -2609.8232 921491.4634 -4802.3839 -2609.8232
ENERGY: 121 22753.8286 18833.9839 5735.1155 213.1885 -334109.3886 21287.1663 0.0000 0.0000 42902.9083 -222383.1975 156.0690 -265286.1058 -222238.8455 156.0690 -3789.7329 -2573.0323 921491.4634 -3789.7329 -2573.0323
ENERGY: 122 20911.3203 19183.7910 5744.9150 207.6394 -333246.0909 21235.0876 0.0000 0.0000 43471.2679 -222492.0697 158.1365 -265963.3376 -222236.2047 158.1365 -2259.2350 -2503.9465 921491.4634 -2259.2350 -2503.9465
ENERGY: 123 19716.6566 19702.2261 5748.9495 201.5075 -332195.6663 21181.3173 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 20151.8501 5747.1965 195.4812 -331340.9822 21138.0468 0.0000 0.0000 42008.6529 -222398.0216 152.8159 -264406.6745 -222234.8508 152.8159 8.3516 -2371.2952 921491.4634 8.3516 -2371.2952
ENERGY: 125 19961.8489 20319.7042 5741.5018 190.2907 -331002.3873 21106.9631 0.0000 0.0000 41347.6160 -222334.4627 150.4113 -263682.0787 -222218.5350 150.4113 16.1240 -2370.5228 921491.4634 16.1240 -2370.5228
ENERGY: 126 19913.8781 20060.3740 5734.4100 186.3237 -331257.3385 21089.4917 0.0000 0.0000 41888.6056 -222384.2555 152.3792 -264272.8611 -222220.0403 152.3792 -757.3346 -2430.8872 921491.4634 -757.3346 -2430.8872
ENERGY: 127 20034.1248 19457.5518 5728.8730 183.8512 -331985.2679 21088.4980 0.0000 0.0000 43047.2720 -222445.0971 156.5941 -265492.3692 -222223.2516 156.5941 -2122.5054 -2533.3234 921491.4634 -2122.5054 -2533.3234
ENERGY: 128 20681.9269 18818.3078 5727.0308 182.9174 -332977.2827 21101.0436 0.0000 0.0000 44006.3125 -222459.7438 160.0829 -266466.0562 -222232.5707 160.0829 -3698.9566 -2655.1908 921491.4634 -3698.9566 -2655.1908
ENERGY: 129 21368.2886 18554.7976 5729.8505 183.4687 -333997.8250 21115.0501 0.0000 0.0000 44607.0893 -222439.2801 162.2683 -267046.3695 -222215.2565 162.2683 -4993.9821 -2763.9222 921491.4634 -4993.9821 -2763.9222
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 130 21553.6087 18898.7762 5736.4508 185.0194 -334776.0137 21118.0423 0.0000 0.0000 44811.1497 -222472.9667 163.0106 -267284.1164 -222216.5364 163.0106 -5536.0555 -2842.3154 921491.4634 -5536.0555 -2842.3154
ENERGY: 131 21530.9956 19804.6628 5745.0872 187.0957 -335083.2644 21105.7069 0.0000 0.0000 44221.5103 -222488.2059 160.8657 -266709.7162 -222215.1804 160.8657 -5164.7863 -2872.9597 921491.4634 -5164.7863 -2872.9597
ENERGY: 132 21696.5183 20951.9798 5753.4447 189.2233 -334841.7367 21081.3851 0.0000 0.0000 42732.1266 -222437.0589 155.4477 -265169.1855 -222222.8145 155.4477 -4015.6410 -2856.5553 921491.4634 -4015.6410 -2856.5553
ENERGY: 133 21569.7010 21939.4307 5759.4053 191.1377 -334187.7137 21049.8506 0.0000 0.0000 41346.5715 -222331.6171 150.4075 -263678.1885 -222209.0241 150.4075 -2436.6193 -2806.2333 921491.4634 -2436.6193 -2806.2333
ENERGY: 134 20380.1718 22407.7422 5761.0449 192.4922 -333420.8523 21018.0949 0.0000 0.0000 41320.1609 -222341.1454 150.3114 -263661.3063 -222206.0446 150.3114 -846.9780 -2759.4267 921491.4634 -846.9780 -2759.4267
ENERGY: 135 18735.1491 22221.9401 5757.7067 193.2251 -332860.3438 20999.0422 0.0000 0.0000 42497.1277 -222456.1529 154.5929 -264953.2806 -222204.4869 154.5929 191.9084 -2745.1432 921491.4634 191.9084 -2745.1432
ENERGY: 136 18381.4538 21453.0792 5750.0867 193.4037 -332655.7486 21006.3294 0.0000 0.0000 43348.3540 -222523.0417 157.6894 -265871.3958 -222211.0693 157.6894 198.1851 -2776.3542 921491.4634 198.1851 -2776.3542
ENERGY: 137 19975.5716 20347.8313 5740.3098 193.2572 -332832.5917 21040.1066 0.0000 0.0000 43092.4469 -222443.0683 156.7585 -265535.5152 -222209.8937 156.7585 -927.2502 -2841.0684 921491.4634 -927.2502 -2841.0684
ENERGY: 138 21874.8525 19195.4801 5730.8549 192.8766 -333203.4342 21083.5324 0.0000 0.0000 42784.9639 -222340.8738 155.6399 -265125.8377 -222213.1815 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
ENERGY: 139 22116.0296 18330.1124 5724.2506 192.4679 -333575.3361 21115.6332 0.0000 0.0000 43705.6789 -222391.1635 158.9892 -266096.8425 -222217.3488 158.9892 -4443.4107 -3015.1528 921491.4634 -4443.4107 -3015.1528
TIMING: 140 CPU: 67.3891, 0.47281/step Wall: 67.3891, 0.47281/step, 0.047281 hours remaining, 3222.027344 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 140 20992.5976 17997.1577 5722.1741 192.2140 -333726.9440 21127.4061 0.0000 0.0000 45144.2514 -222551.1432 164.2224 -267695.3946 -222224.0361 164.2224 -5617.7627 -3080.3638 921491.4634 -5617.7627 -3080.3638
ENERGY: 141 20605.2148 18251.9194 5725.3083 192.2642 -333525.1323 21120.3060 0.0000 0.0000 45039.8864 -222590.2331 163.8427 -267630.1195 -222215.3920 163.8427 -6017.5038 -3087.0005 921491.4634 -6017.5038 -3087.0005
ENERGY: 142 21702.7401 18860.4298 5732.9228 192.6003 -332879.0279 21093.2714 0.0000 0.0000 42868.0673 -222428.9963 155.9422 -265297.0635 -222213.3920 155.9422 -5532.0376 -3029.5546 921491.4634 -5532.0376 -3029.5546
ENERGY: 143 22457.6180 19468.7636 5743.5741 193.1827 -331957.5930 21040.0377 0.0000 0.0000 40797.9946 -222256.4223 148.4119 -263054.4170 -222209.6223 148.4119 -4179.8277 -2928.5087 921491.4634 -4179.8277 -2928.5087
ENERGY: 144 21007.3339 19787.0058 5755.2166 193.9151 -331097.8394 20965.2215 0.0000 0.0000 41087.3102 -222301.8364 149.4643 -263389.1466 -222194.0940 149.4643 -2265.2408 -2825.3503 921491.4634 -2265.2408 -2825.3503
ENERGY: 145 18390.7599 19760.7602 5765.7577 194.6436 -330692.1920 20892.9233 0.0000 0.0000 43191.0818 -222496.2655 157.1173 -265687.3473 -222180.9592 157.1173 -495.5028 -2742.5238 921491.4634 -495.5028 -2742.5238
ENERGY: 146 17494.3905 19517.0964 5773.0763 195.1974 -330883.4473 20850.7304 0.0000 0.0000 44468.0627 -222584.8936 161.7626 -267052.9563 -222180.0852 161.7626 380.5832 -2698.3695 921491.4634 380.5832 -2698.3695
ENERGY: 147 19349.0815 19284.4052 5776.1299 195.3841 -331633.2790 20843.7952 0.0000 0.0000 43729.9297 -222454.5533 159.0775 -266184.4831 -222180.7855 159.0775 12.4496 -2697.6200 921491.4634 12.4496 -2697.6200
ENERGY: 148 21731.1609 19240.1451 5775.1361 195.0156 -332748.3460 20852.0477 0.0000 0.0000 42647.1434 -222307.6971 155.1386 -264954.8404 -222173.9041 155.1386 -1313.5162 -2742.2255 921491.4634 -1313.5162 -2742.2255
ENERGY: 149 22154.0981 19476.6233 5771.6403 193.9272 -333952.9656 20853.5363 0.0000 0.0000 43165.2620 -222337.8783 157.0234 -265503.1404 -222149.8011 157.0234 -2998.4812 -2814.2281 921491.4634 -2998.4812 -2814.2281
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 150 21015.8992 19956.3836 5767.3089 192.0924 -334899.3754 20845.5771 0.0000 0.0000 44606.5898 -222515.5244 162.2665 -267122.1142 -222153.2666 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
ENERGY: 151 20656.1100 20586.9277 5763.7530 189.5631 -335303.4338 20835.7247 0.0000 0.0000 44710.6378 -222560.7175 162.6450 -267271.3554 -222155.1379 162.6450 -5407.8407 -2907.6331 921491.4634 -5407.8407 -2907.6331
ENERGY: 152 21757.0224 21203.4204 5761.8055 186.4838 -335072.1089 20820.7501 0.0000 0.0000 42914.6704 -222427.9564 156.1118 -265342.6268 -222175.0516 156.1118 -5552.0272 -2878.0876 921491.4634 -5552.0272 -2878.0876
ENERGY: 153 22396.4537 21618.6023 5761.5688 183.0547 -334307.6861 20787.1624 0.0000 0.0000 41296.2809 -222264.5632 150.2245 -263560.8441 -222152.0204 150.2245 -4765.4777 -2800.4122 921491.4634 -4765.4777 -2800.4122
ENERGY: 154 20952.1343 21640.3347 5761.9239 179.5647 -333344.9135 20735.3659 0.0000 0.0000 41746.1291 -222329.4609 151.8609 -264075.5900 -222148.7916 151.8609 -3178.1875 -2707.3606 921491.4634 -3178.1875 -2707.3606
ENERGY: 155 18734.5491 21249.5940 5761.4992 176.3183 -332564.0955 20691.4723 0.0000 0.0000 43448.4574 -222502.2052 158.0535 -265950.6626 -222145.9855 158.0535 -1408.3064 -2623.9033 921491.4634 -1408.3064 -2623.9033
ENERGY: 156 18312.4483 20599.9072 5758.8570 173.6449 -332218.9143 20684.3829 0.0000 0.0000 44137.5523 -222552.1216 160.5603 -266689.6739 -222166.8045 160.5603 -219.5095 -2571.5313 921491.4634 -219.5095 -2571.5313
ENERGY: 157 20043.0837 19943.2664 5753.0946 171.8900 -332363.0654 20715.7864 0.0000 0.0000 43325.6934 -222410.2508 157.6070 -265735.9442 -222155.5006 157.6070 -38.8543 -2554.7665 921491.4634 -38.8543 -2554.7665
ENERGY: 158 21695.0846 19425.3238 5743.5666 171.3409 -332829.8097 20761.5805 0.0000 0.0000 42713.6820 -222319.2312 155.3806 -265032.9133 -222157.3217 155.3806 -715.5935 -2586.7969 921491.4634 -715.5935 -2586.7969
ENERGY: 159 21695.6535 19084.6409 5730.9315 172.1899 -333376.4002 20800.7929 0.0000 0.0000 43483.6005 -222408.5910 158.1814 -265892.1914 -222160.0966 158.1814 -1882.1012 -2660.7875 921491.4634 -1882.1012 -2660.7875
TIMING: 160 CPU: 76.8344, 0.472266/step Wall: 76.8344, 0.472266/step, 0.0446029 hours remaining, 3222.191406 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 160 21093.2843 18859.3045 5717.0749 174.4915 -333735.9153 20833.5471 0.0000 0.0000 44515.8596 -222542.3533 161.9365 -267058.2129 -222175.6786 161.9365 -3202.8705 -2752.7604 921491.4634 -3202.8705 -2752.7604
ENERGY: 161 21561.6002 18685.5960 5704.9781 178.2042 -333710.7596 20865.7132 0.0000 0.0000 44220.7113 -222493.9566 160.8628 -266714.6679 -222160.9738 160.8628 -4385.1103 -2823.4852 921491.4634 -4385.1103 -2823.4852
ENERGY: 162 22512.8126 18508.1493 5697.2826 183.0024 -333202.6496 20887.8856 0.0000 0.0000 43070.6067 -222342.9104 156.6790 -265413.5171 -222161.4906 156.6790 -5004.1555 -2859.8871 921491.4634 -5004.1555 -2859.8871
ENERGY: 163 21937.9853 18346.8657 5696.1509 188.4544 -332368.8224 20884.6196 0.0000 0.0000 43005.6961 -222309.0505 156.4429 -265314.7466 -222160.7801 156.4429 -4776.8221 -2868.7270 921491.4634 -4776.8221 -2868.7270
ENERGY: 164 19652.8066 18261.0400 5702.5306 194.0206 -331567.4469 20861.9109 0.0000 0.0000 44426.5345 -222468.6037 161.6115 -266895.1382 -222170.9033 161.6115 -3836.1733 -2870.4449 921491.4634 -3836.1733 -2870.4449
ENERGY: 165 18074.0951 18343.8150 5716.1638 199.2019 -331183.0465 20849.6743 0.0000 0.0000 45425.8565 -222574.2400 165.2468 -268000.0965 -222153.1697 165.2468 -2737.5186 -2867.1447 921491.4634 -2737.5186 -2867.1447
ENERGY: 166 18979.7068 18650.1654 5734.9735 203.3281 -331407.1002 20870.8939 0.0000 0.0000 44483.6890 -222484.3434 161.8194 -266968.0324 -222151.2326 161.8194 -1964.3635 -2870.3839 921491.4634 -1964.3635 -2870.3839
ENERGY: 167 21026.8306 19216.2868 5755.9248 205.8794 -332212.1860 20917.6388 0.0000 0.0000 42775.8063 -222313.8194 155.6066 -265089.6257 -222150.5297 155.6066 -1671.2498 -2889.5868 921491.4634 -1671.2498 -2889.5868
ENERGY: 168 21619.4181 19999.6890 5775.3367 206.4584 -333382.4925 20963.4338 0.0000 0.0000 42492.3351 -222325.8215 154.5754 -264818.1566 -222149.7706 154.5754 -1735.9904 -2933.5976 921491.4634 -1735.9904 -2933.5976
ENERGY: 169 20648.4664 20870.4070 5789.9166 204.9287 -334596.5070 20994.5723 0.0000 0.0000 43600.1910 -222488.0250 158.6055 -266088.2160 -222133.5314 158.6055 -2095.8776 -2988.7947 921491.4634 -2095.8776 -2988.7947
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 170 20485.0013 21574.3802 5797.0542 201.1981 -335480.2501 21017.8094 0.0000 0.0000 43834.2689 -222570.5381 159.4570 -266404.8070 -222135.2419 159.4570 -2696.1967 -3030.4960 921491.4634 -2696.1967 -3030.4960
ENERGY: 171 22225.3642 21884.1727 5796.1347 195.5169 -335757.0015 21036.7488 0.0000 0.0000 42205.8539 -222413.2103 153.5333 -264619.0642 -222135.5891 153.5333 -3373.1626 -3035.3578 921491.4634 -3373.1626 -3035.3578
ENERGY: 172 23612.5242 21689.2905 5788.4217 188.3823 -335345.7509 21036.2039 0.0000 0.0000 40787.7257 -222243.2026 148.3745 -263030.9283 -222132.3042 148.3745 -3754.4380 -3004.4813 921491.4634 -3754.4380 -3004.4813
ENERGY: 173 22089.5492 21081.4671 5776.7002 180.5475 -334414.6778 21003.0505 0.0000 0.0000 41986.3986 -222296.9647 152.7350 -264283.3633 -222121.1461 152.7350 -3608.5986 -2944.3814 921491.4634 -3608.5986 -2944.3814
ENERGY: 174 18699.8472 20250.6916 5763.7521 172.7179 -333314.9342 20954.5022 0.0000 0.0000 44924.4954 -222548.9278 163.4230 -267473.4233 -222120.6679 163.4230 -3086.0087 -2871.4631 921491.4634 -3086.0087 -2871.4631
ENERGY: 175 17219.9374 19455.5734 5752.1494 165.6559 -332464.6996 20928.3118 0.0000 0.0000 46291.0146 -222652.0570 168.3940 -268943.0716 -222120.1886 168.3940 -2676.4054 -2794.4451 921491.4634 -2676.4054 -2794.4451
ENERGY: 176 19195.1038 18891.7628 5743.5896 160.0071 -332124.2127 20943.2095 0.0000 0.0000 44722.5121 -222468.0278 162.6882 -267190.5399 -222127.3370 162.6882 -2658.3220 -2727.5044 921491.4634 -2658.3220 -2727.5044
ENERGY: 177 21863.3195 18664.1735 5738.9484 156.2659 -332371.2411 20981.6518 0.0000 0.0000 42714.2625 -222252.6196 155.3827 -264966.8820 -222125.5137 155.3827 -2870.6845 -2681.8089 921491.4634 -2870.6845 -2681.8089
ENERGY: 178 21917.7899 18733.9559 5737.6245 154.5770 -332975.2974 21015.2132 0.0000 0.0000 43101.1545 -222314.9825 156.7902 -265416.1369 -222126.1322 156.7902 -2936.2255 -2665.7682 921491.4634 -2936.2255 -2665.7682
ENERGY: 179 20058.5719 19018.0839 5738.2698 154.9022 -333648.1817 21038.3003 0.0000 0.0000 45070.9164 -222569.1372 163.9556 -267640.0536 -222127.1793 163.9556 -2805.2707 -2668.3444 921491.4634 -2805.2707 -2668.3444
TIMING: 180 CPU: 86.2675, 0.471658/step Wall: 86.2675, 0.471658/step, 0.0419252 hours remaining, 3222.324219 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: 180 19770.2943 19384.7963 5738.8341 156.9935 -334084.3520 21065.2916 0.0000 0.0000 45324.2214 -222643.9209 164.8771 -267968.1422 -222142.6341 164.8771 -2684.8629 -2671.3560 921491.4634 -2684.8629 -2671.3560
ENERGY: 181 22122.8095 19693.8082 5737.3498 160.4696 -334134.1965 21097.1422 0.0000 0.0000 42906.0429 -222416.5743 156.0804 -265322.6172 -222134.4679 156.0804 -2655.0378 -2656.7563 921491.4634 -2655.0378 -2656.7563
ENERGY: 182 23922.3458 19800.0772 5732.0748 164.8150 -333691.2981 21109.5294 0.0000 0.0000 40770.0179 -222192.4381 148.3101 -262962.4560 -222132.7632 148.3101 -2461.5987 -2635.7203 921491.4634 -2461.5987 -2635.7203
ENERGY: 183 22149.3487 19677.1533 5722.7616 169.5349 -332921.8735 21084.4911 0.0000 0.0000 41834.8235 -222283.7604 152.1836 -264118.5839 -222131.2587 152.1836 -1990.8047 -2626.5157 921491.4634 -1990.8047 -2626.5157
ENERGY: 184 18376.8756 19424.9915 5710.5468 174.1844 -332181.9081 21042.4479 0.0000 0.0000 44880.5529 -222572.3090 163.2631 -267452.8619 -222144.6142 163.2631 -1576.6177 -2645.2274 921491.4634 -1576.6177 -2645.2274
ENERGY: 185 16957.7744 19234.6873 5697.7241 178.4155 -331895.6962 21023.9443 0.0000 0.0000 46149.4989 -222653.6518 167.8792 -268803.1506 -222128.1655 167.8792 -1752.9884 -2679.2078 921491.4634 -1752.9884 -2679.2078
ENERGY: 186 19266.0405 19234.9572 5686.4352 181.9571 -332240.0937 21043.7459 0.0000 0.0000 44391.5887 -222435.3691 161.4844 -266826.9578 -222129.2887 161.4844 -2596.4732 -2731.4264 921491.4634 -2596.4732 -2731.4264
ENERGY: 187 22073.2967 19471.4305 5678.7398 184.6336 -333156.1127 21076.9264 0.0000 0.0000 42449.0056 -222222.0800 154.4178 -264671.0856 -222130.9079 154.4178 -3641.8535 -2802.0867 921491.4634 -3641.8535 -2802.0867
ENERGY: 188 22101.1829 19886.6775 5676.0120 186.3502 -334382.7609 21093.9044 0.0000 0.0000 43113.1615 -222325.4724 156.8338 -265438.6339 -222135.3906 156.8338 -4316.2654 -2887.0591 921491.4634 -4316.2654 -2887.0591
ENERGY: 189 20394.2461 20391.8604 5678.8863 187.1154 -335558.5038 21096.5840 0.0000 0.0000 45245.6387 -222564.1729 164.5912 -267809.8117 -222116.4321 164.5912 -4451.6369 -2950.0786 921491.4634 -4451.6369 -2950.0786
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 190 20342.0726 20848.4450 5686.3598 187.0164 -336318.7430 21106.5487 0.0000 0.0000 45533.2633 -222615.0372 165.6375 -268148.3006 -222116.1588 165.6375 -4141.9210 -2962.8210 921491.4634 -4141.9210 -2962.8210
ENERGY: 191 22534.8506 21157.2827 5696.5257 186.2614 -336419.5248 21124.8644 0.0000 0.0000 43330.7335 -222389.0065 157.6253 -265719.7400 -222114.1138 157.6253 -3471.5977 -2915.5481 921491.4634 -3471.5977 -2915.5481
ENERGY: 192 23768.4831 21244.3748 5706.8010 185.1520 -335814.4792 21125.1404 0.0000 0.0000 41560.2537 -222224.2742 151.1848 -263784.5278 -222108.6419 151.1848 -2412.4656 -2830.7903 921491.4634 -2412.4656 -2830.7903
ENERGY: 193 21710.8595 21097.1072 5714.9848 184.0570 -334711.3258 21092.9042 0.0000 0.0000 42578.8348 -222332.5783 154.8901 -264911.4131 -222093.8904 154.8901 -1181.4696 -2735.1546 921491.4634 -1181.4696 -2735.1546
ENERGY: 194 18383.3649 20711.5281 5719.3482 183.2863 -333492.4631 21054.1040 0.0000 0.0000 44867.8136 -222573.0180 163.2168 -267440.8316 -222092.1689 163.2168 -314.8316 -2651.4482 921491.4634 -314.8316 -2651.4482
ENERGY: 195 17581.7011 20169.9815 5719.7968 183.0839 -332603.8307 21048.2209 0.0000 0.0000 45307.7485 -222593.2981 164.8171 -267901.0466 -222091.6062 164.8171 -398.0878 -2592.7756 921491.4634 -398.0878 -2592.7756
ENERGY: 196 19755.8661 19594.9319 5717.4229 183.5644 -332319.6946 21082.8579 0.0000 0.0000 43603.6154 -222381.4360 158.6180 -265985.0514 -222096.3125 158.6180 -1480.5938 -2574.8091 921491.4634 -1480.5938 -2574.8091
ENERGY: 197 21700.3669 19122.7579 5714.1451 184.7200 -332668.2726 21129.4588 0.0000 0.0000 42574.3653 -222242.4585 154.8738 -264816.8239 -222086.7178 154.8738 -3040.7435 -2596.5493 921491.4634 -3040.7435 -2596.5493
ENERGY: 198 21224.0059 18800.3005 5711.3574 186.3640 -333385.4992 21161.1533 0.0000 0.0000 43911.2862 -222391.0319 159.7372 -266302.3181 -222090.4390 159.7372 -4381.6806 -2646.7678 921491.4634 -4381.6806 -2646.7678
ENERGY: 199 20113.4047 18634.4039 5710.3429 188.2374 -334151.8582 21182.1777 0.0000 0.0000 45722.9587 -222600.3328 166.3276 -268323.2916 -222093.2749 166.3276 -5152.2283 -2691.5411 921491.4634 -5152.2283 -2691.5411
LDB: ============= START OF LOAD BALANCING ============== 101.613
LDB: Largest compute 200 load 0.429725 is 1.2% of average load 36.669473
LDB: Average compute 0.051361 is 0.1% of average load 36.669473
LDB: TIME 101.615 LOAD: AVG 36.6695 MAX 37.7691 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.61 MB
LDB: TIME 101.617 LOAD: AVG 36.6695 MAX 37.5606 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.61 MB
LDB: ============== END OF LOAD BALANCING =============== 101.619
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.622
Info: Initial time: 4 CPUs 0.472285 s/step 5.46626 days/ns 3223.4 MB memory
TIMING: 200 CPU: 95.7104, 0.472143/step Wall: 95.7104, 0.472143/step, 0.0393453 hours remaining, 3223.398438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6836 18595.6349 5711.8747 190.0258 -334670.2808 21209.9248 0.0000 0.0000 45319.1600 -222569.9770 164.8586 -267889.1370 -222114.5243 164.8586 -5241.8525 -2703.6812 921491.4634 -5241.8525 -2703.6812
ENERGY: 201 23380.1030 18674.3332 5716.2802 191.4188 -334751.7129 21239.1341 0.0000 0.0000 43222.4695 -222327.9741 157.2315 -265550.4436 -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 42432.5588 -222241.0646 154.3580 -264673.6234 -222096.8289 154.3580 -3005.0519 -2588.0013 921491.4634 -3005.0519 -2588.0013
ENERGY: 203 20743.8946 19130.0390 5729.2400 192.0764 -333501.9373 21215.8254 0.0000 0.0000 44059.6987 -222431.1633 160.2771 -266490.8620 -222093.6425 160.2771 -1046.8258 -2512.4434 921491.4634 -1046.8258 -2512.4434
ENERGY: 204 17862.6125 19486.9556 5734.1463 191.2124 -332722.2201 21188.8403 0.0000 0.0000 45629.4720 -222628.9810 165.9875 -268258.4530 -222116.7002 165.9875 452.9932 -2462.2930 921491.4634 452.9932 -2462.2930
ENERGY: 205 18189.0791 19868.9415 5735.7153 189.6741 -332398.2553 21197.9186 0.0000 0.0000 44690.7150 -222526.2117 162.5725 -267216.9267 -222099.8061 162.5725 731.8534 -2447.6353 921491.4634 731.8534 -2447.6353
ENERGY: 206 20668.8901 20170.9987 5732.9811 187.6404 -332716.3436 21241.8391 0.0000 0.0000 42439.0585 -222274.9357 154.3816 -264713.9942 -222100.3398 154.3816 -230.6568 -2488.2937 921491.4634 -230.6568 -2488.2937
ENERGY: 207 21693.8031 20338.2892 5726.5434 185.3060 -333603.9792 21289.9001 0.0000 0.0000 42143.6914 -222226.4460 153.3072 -264370.1374 -222103.0933 153.3072 -1896.3477 -2585.9683 921491.4634 -1896.3477 -2585.9683
ENERGY: 208 20293.2702 20371.8904 5718.1572 182.8654 -334789.2379 21322.2410 0.0000 0.0000 44428.6270 -222472.1867 161.6191 -266900.8137 -222122.6315 161.6191 -3669.0642 -2719.7952 921491.4634 -3669.0642 -2719.7952
ENERGY: 209 19428.8170 20325.0059 5710.3389 180.5135 -335910.2415 21349.5044 0.0000 0.0000 46273.6801 -222642.3817 168.3309 -268916.0618 -222106.7902 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 21385.1734 20194.2569 5705.3139 178.4614 -336615.7770 21385.1096 0.0000 0.0000 45251.4335 -222516.0283 164.6123 -267767.4618 -222108.2017 164.6123 -6091.3662 -2896.2627 921491.4634 -6091.3662 -2896.2627
ENERGY: 211 24099.1928 19985.8632 5704.9373 176.9105 -336667.8929 21415.1477 0.0000 0.0000 43031.7286 -222254.1130 156.5376 -265285.8416 -222106.8543 156.5376 -5900.2978 -2885.1010 921491.4634 -5900.2978 -2885.1010
ENERGY: 212 23739.2709 19730.8222 5710.0295 176.0352 -336013.6228 21412.5983 0.0000 0.0000 42995.1639 -222249.7027 156.4046 -265244.8666 -222104.2319 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2161 19524.5248 5720.1722 175.9508 -334874.6444 21380.5552 0.0000 0.0000 45418.7806 -222504.4448 165.2210 -267923.2254 -222097.3836 165.2210 -2174.3118 -2725.0840 921491.4634 -2174.3118 -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 -143.6686 -2626.0578 921491.4634 -143.6686 -2626.0578
ENERGY: 215 18210.5055 19441.9743 5746.5772 178.1492 -332787.3322 21379.5596 0.0000 0.0000 45302.6745 -222527.8918 164.7987 -267830.5663 -222091.0448 164.7987 784.0015 -2554.0367 921491.4634 784.0015 -2554.0367
ENERGY: 216 20973.4717 19522.5061 5756.9571 180.1770 -332560.1058 21436.4836 0.0000 0.0000 42442.1787 -222248.3316 154.3930 -264690.5103 -222073.6154 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3866 19581.4820 5762.2416 182.5517 -333010.6754 21497.2706 0.0000 0.0000 41983.6749 -222225.0681 152.7251 -264208.7430 -222064.4463 152.7251 -882.1698 -2598.7243 921491.4634 -882.1698 -2598.7243
ENERGY: 218 20165.9156 19540.0890 5761.2415 184.9927 -333856.1144 21546.6561 0.0000 0.0000 44178.6835 -222478.5359 160.7099 -266657.2194 -222068.8153 160.7099 -2628.0651 -2703.9746 921491.4634 -2628.0651 -2703.9746
ENERGY: 219 19429.8640 19413.3931 5754.3577 187.2447 -334778.0706 21596.8809 0.0000 0.0000 45751.9297 -222644.4006 166.4329 -268396.3302 -222073.1718 166.4329 -4457.7331 -2810.5236 921491.4634 -4457.7331 -2810.5236
TIMING: 220 CPU: 105.157, 0.472325/step Wall: 105.157, 0.472325/step, 0.0367364 hours remaining, 3223.398438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 220 21580.9144 19260.1136 5743.1672 189.1021 -335473.8432 21655.3185 0.0000 0.0000 44539.5739 -222505.6537 162.0227 -267045.2275 -222092.6290 162.0227 -5898.3511 -2876.6577 921491.4634 -5898.3511 -2876.6577
ENERGY: 221 24234.7391 19146.8278 5730.1601 190.4777 -335718.7276 21699.4245 0.0000 0.0000 42467.0189 -222250.0795 154.4833 -264717.0984 -222077.7837 154.4833 -6342.7097 -2884.3552 921491.4634 -6342.7097 -2884.3552
ENERGY: 222 23735.1223 19085.7308 5717.7679 191.2893 -335388.9915 21700.3077 0.0000 0.0000 42702.0390 -222256.7345 155.3383 -264958.7735 -222075.6640 155.3383 -5368.7279 -2838.7016 921491.4634 -5368.7279 -2838.7016
ENERGY: 223 20286.4336 19110.8426 5708.3528 191.5578 -334633.3915 21665.5243 0.0000 0.0000 45168.7532 -222501.9271 164.3115 -267670.6803 -222072.2459 164.3115 -3322.8076 -2753.9475 921491.4634 -3322.8076 -2753.9475
ENERGY: 224 17721.9819 19276.3018 5703.4615 191.3517 -333831.1560 21637.4893 0.0000 0.0000 46650.8780 -222649.6917 169.7031 -269300.5697 -222098.2847 169.7031 -1151.0970 -2650.6854 921491.4634 -1151.0970 -2650.6854
ENERGY: 225 18451.5609 19639.7350 5703.5482 190.8346 -333424.4649 21647.4589 0.0000 0.0000 45301.5805 -222489.7468 164.7947 -267791.3273 -222079.9379 164.7947 226.2573 -2563.9720 921491.4634 226.2573 -2563.9720
ENERGY: 226 20569.7731 20147.6376 5707.2430 190.0457 -333606.5695 21686.9381 0.0000 0.0000 43034.1677 -222270.7643 156.5465 -265304.9320 -222078.6804 156.5465 530.9033 -2526.3323 921491.4634 530.9033 -2526.3323
ENERGY: 227 21011.1675 20670.4534 5712.3895 189.0769 -334317.7221 21728.2284 0.0000 0.0000 42721.7945 -222284.6119 155.4101 -265006.4064 -222080.2097 155.4101 -104.6489 -2553.6074 921491.4634 -104.6489 -2553.6074
ENERGY: 228 19866.2927 21035.8345 5716.6482 188.0080 -335312.4267 21761.2924 0.0000 0.0000 44242.5385 -222501.8123 160.9422 -266744.3508 -222102.7892 160.9422 -1440.0181 -2625.9673 921491.4634 -1440.0181 -2625.9673
ENERGY: 229 19874.0813 21137.5588 5718.5477 187.0043 -336264.4468 21796.8120 0.0000 0.0000 44976.5836 -222573.8591 163.6124 -267550.4426 -222086.0489 163.6124 -3234.4607 -2710.7215 921491.4634 -3234.4607 -2710.7215
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 230 21999.2455 20926.2538 5717.1889 185.9786 -336838.6565 21834.6451 0.0000 0.0000 43751.0552 -222424.2893 159.1543 -266175.3446 -222088.6909 159.1543 -4902.3780 -2766.0557 921491.4634 -4902.3780 -2766.0557
ENERGY: 231 23806.6617 20470.3273 5713.0793 184.9073 -336794.0752 21849.7234 0.0000 0.0000 42506.4015 -222262.9747 154.6266 -264769.3762 -222089.4822 154.6266 -5730.6842 -2773.7615 921491.4634 -5730.6842 -2773.7615
ENERGY: 232 22812.6530 19886.6601 5707.7133 183.7520 -336072.1015 21820.0136 0.0000 0.0000 43315.5694 -222345.7401 157.5701 -265661.3095 -222098.2754 157.5701 -5301.5937 -2731.4986 921491.4634 -5301.5937 -2731.4986
ENERGY: 233 20035.6404 19318.2042 5703.4910 182.6157 -334889.2831 21760.7377 0.0000 0.0000 45350.0988 -222538.4952 164.9712 -267888.5940 -222089.6821 164.9712 -3899.2117 -2646.7386 921491.4634 -3899.2117 -2646.7386
ENERGY: 234 18553.6066 18856.0075 5702.3325 181.3395 -333642.4872 21712.9299 0.0000 0.0000 46049.0872 -222587.1839 167.5139 -268636.2711 -222086.3330 167.5139 -2187.7193 -2534.9736 921491.4634 -2187.7193 -2534.9736
ENERGY: 235 19419.0965 18603.4160 5705.8180 179.9133 -332789.1748 21702.6096 0.0000 0.0000 44750.4957 -222427.8257 162.7900 -267178.3214 -222083.1203 162.7900 -820.1736 -2429.4348 921491.4634 -820.1736 -2429.4348
ENERGY: 236 20566.0776 18629.1000 5714.2865 178.3391 -332585.8843 21721.5013 0.0000 0.0000 43477.4014 -222299.1784 158.1588 -265776.5798 -222073.0116 158.1588 -108.6481 -2371.7042 921491.4634 -108.6481 -2371.7042
ENERGY: 237 20196.0056 18940.2030 5726.8243 176.7459 -333068.3181 21749.0157 0.0000 0.0000 43898.3780 -222381.1456 159.6902 -266279.5236 -222063.3602 159.6902 -172.1586 -2373.2010 921491.4634 -172.1586 -2373.2010
ENERGY: 238 19419.4412 19404.0883 5740.6977 175.0128 -333964.3147 21778.9044 0.0000 0.0000 44901.2437 -222544.9267 163.3384 -267446.1703 -222065.9774 163.3384 -987.6011 -2425.5308 921491.4634 -987.6011 -2425.5308
ENERGY: 239 20428.8616 19846.5439 5752.8836 173.1946 -334966.8374 21816.7509 0.0000 0.0000 44416.4634 -222532.1394 161.5749 -266948.6028 -222068.9822 161.5749 -2385.1779 -2499.0795 921491.4634 -2385.1779 -2499.0795
TIMING: 240 CPU: 114.596, 0.471962/step Wall: 114.596, 0.471962/step, 0.0340861 hours remaining, 3223.398438 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 -222074.0952 155.1180 -3844.9084 -2568.3896 921491.4634 -3844.9084 -2568.3896
ENERGY: 241 23920.0052 20195.4873 5762.7124 169.9828 -336129.3252 21865.1032 0.0000 0.0000 41957.8936 -222258.1407 152.6313 -264216.0343 -222063.9158 152.6313 -4724.4492 -2616.3453 921491.4634 -4724.4492 -2616.3453
ENERGY: 242 22110.7716 20111.8210 5758.5348 169.0441 -335904.8197 21831.0568 0.0000 0.0000 43526.8720 -222396.7195 158.3388 -265923.5915 -222063.5735 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
ENERGY: 243 19462.3621 19969.6446 5749.3614 168.8705 -335233.7070 21770.4748 0.0000 0.0000 45537.0690 -222575.9245 165.6513 -268112.9935 -222061.6673 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
ENERGY: 244 18822.2465 19849.3936 5737.4544 169.6534 -334482.6012 21720.5676 0.0000 0.0000 45629.1663 -222554.1194 165.9864 -268183.2857 -222078.7771 165.9864 -2667.7298 -2573.2149 921491.4634 -2667.7298 -2573.2149
ENERGY: 245 20148.2368 19811.7600 5725.7784 171.4559 -334087.5949 21701.2470 0.0000 0.0000 44168.5249 -222360.5917 160.6730 -266529.1166 -222068.6366 160.6730 -1771.6901 -2533.5454 921491.4634 -1771.6901 -2533.5454
ENERGY: 246 20878.5480 19853.7025 5716.8932 174.1558 -334213.1208 21705.0851 0.0000 0.0000 43600.4183 -222284.3178 158.6063 -265884.7362 -222067.4296 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5286 19979.6441 5712.7400 177.5412 -334802.1844 21719.8455 0.0000 0.0000 44912.1913 -222431.6937 163.3782 -267343.8850 -222068.1394 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4924 20164.4297 5713.8450 181.3144 -335623.1354 21746.4311 0.0000 0.0000 46185.9363 -222595.6865 168.0117 -268781.6228 -222090.3127 168.0117 -1359.1245 -2608.3065 921491.4634 -1359.1245 -2608.3065
ENERGY: 249 20484.3304 20353.6193 5719.1623 185.0800 -336433.0067 21788.9034 0.0000 0.0000 45370.8153 -222531.0959 165.0466 -267901.9112 -222082.9711 165.0466 -2308.0285 -2671.2385 921491.4634 -2308.0285 -2671.2385
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 250 23155.2056 20422.5256 5726.1009 188.5682 -336907.4410 21832.9289 0.0000 0.0000 43252.1661 -222329.9457 157.3395 -265582.1118 -222084.2878 157.3395 -3365.2095 -2722.3879 921491.4634 -3365.2095 -2722.3879
ENERGY: 251 24002.1398 20302.5996 5731.6572 191.5295 -336816.8449 21849.8673 0.0000 0.0000 42475.2394 -222263.8121 154.5132 -264739.0515 -222084.8990 154.5132 -3958.0339 -2753.0723 921491.4634 -3958.0339 -2753.0723
ENERGY: 252 21994.9042 20013.1599 5733.2541 193.8023 -336093.2679 21826.9296 0.0000 0.0000 43905.3721 -222425.8457 159.7157 -266331.2179 -222091.3306 159.7157 -3843.4682 -2758.0338 921491.4634 -3843.4682 -2758.0338
ENERGY: 253 19499.8638 19667.1122 5729.5496 195.2411 -334977.1809 21784.0537 0.0000 0.0000 45520.0192 -222581.3413 165.5893 -268101.3606 -222082.7207 165.5893 -3300.1273 -2735.8131 921491.4634 -3300.1273 -2735.8131
ENERGY: 254 19073.0882 19348.2295 5720.5008 195.9622 -333839.8800 21752.6525 0.0000 0.0000 45220.9196 -222528.5273 164.5013 -267749.4469 -222080.4688 164.5013 -2707.1336 -2696.1700 921491.4634 -2707.1336 -2696.1700
ENERGY: 255 20324.2310 19109.4101 5707.6062 196.0620 -333099.9235 21746.1516 0.0000 0.0000 43667.4214 -222349.0412 158.8501 -266016.4625 -222078.3977 158.8501 -2282.5424 -2662.7813 921491.4634 -2282.5424 -2662.7813
ENERGY: 256 20899.4409 18950.9578 5693.4518 195.6570 -332975.5973 21757.6848 0.0000 0.0000 43181.1613 -222297.2438 157.0812 -265478.4051 -222071.2739 157.0812 -2042.2408 -2664.5198 921491.4634 -2042.2408 -2664.5198
ENERGY: 257 20029.5653 18878.1873 5681.1758 194.7976 -333481.0039 21780.2420 0.0000 0.0000 44488.5469 -222428.4890 161.8371 -266917.0359 -222060.1683 161.8371 -2035.5361 -2692.1441 921491.4634 -2035.5361 -2692.1441
ENERGY: 258 19453.5867 18882.0666 5673.2911 193.6684 -334373.1544 21817.5078 0.0000 0.0000 45796.2578 -222556.7762 166.5942 -268353.0339 -222062.0608 166.5942 -2331.2327 -2737.1919 921491.4634 -2331.2327 -2737.1919
ENERGY: 259 20717.7708 18984.1029 5671.3007 192.3773 -335369.5277 21871.0067 0.0000 0.0000 45431.1555 -222501.8138 165.2661 -267932.9694 -222063.7306 165.2661 -2890.3670 -2780.4961 921491.4634 -2890.3670 -2780.4961
TIMING: 260 CPU: 124.024, 0.471395/step Wall: 124.024, 0.471395/step, 0.0314264 hours remaining, 3223.703125 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 260 22744.9541 19188.2462 5675.1875 191.0393 -336169.7729 21924.7894 0.0000 0.0000 44083.4307 -222362.1257 160.3634 -266445.5563 -222069.6813 160.3634 -3407.4793 -2810.9878 921491.4634 -3407.4793 -2810.9878
ENERGY: 261 23215.5572 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 44601.6345 -222438.8161 162.2485 -267040.4506 -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 45349.7770 -222527.2804 164.9700 -267877.0574 -222051.1548 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2260 20436.4305 5710.6950 187.5052 -334855.9511 21907.7773 0.0000 0.0000 44751.4783 -222476.8388 162.7936 -267228.3171 -222069.1982 162.7936 -2191.1926 -2723.5294 921491.4634 -2191.1926 -2723.5294
ENERGY: 265 19946.8414 20681.9926 5713.6241 187.4392 -334395.6632 21906.0164 0.0000 0.0000 43607.6375 -222352.1120 158.6326 -265959.7494 -222054.3370 158.6326 -2038.0573 -2683.6034 921491.4634 -2038.0573 -2683.6034
ENERGY: 266 20048.7898 20788.8701 5712.1327 187.6137 -334399.4577 21914.4806 0.0000 0.0000 43399.3797 -222348.1911 157.8750 -265747.5708 -222054.3633 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0905 20691.2679 5707.0583 187.8501 -334831.4855 21930.8375 0.0000 0.0000 44220.2168 -222446.1645 160.8610 -266666.3812 -222055.6583 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9160 20375.7516 5700.1930 187.9286 -335513.7450 21959.1258 0.0000 0.0000 44823.5376 -222504.2924 163.0557 -267327.8300 -222075.9875 163.0557 -2903.2124 -2658.6181 921491.4634 -2903.2124 -2658.6181
ENERGY: 269 21396.7812 19927.1703 5694.0390 187.7639 -336221.0662 21997.2162 0.0000 0.0000 44586.5099 -222431.5858 162.1935 -267018.0957 -222066.1973 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 22620.1931 19450.9168 5690.3173 187.1618 -336650.6775 22028.8072 0.0000 0.0000 44308.0076 -222365.2738 161.1804 -266673.2814 -222067.0434 161.1804 -3583.3633 -2617.7583 921491.4634 -3583.3633 -2617.7583
ENERGY: 271 22345.5821 19078.8065 5690.0209 186.1610 -336571.7893 22035.2502 0.0000 0.0000 44829.4474 -222406.5212 163.0772 -267235.9685 -222066.8386 163.0772 -3261.2174 -2569.2622 921491.4634 -3261.2174 -2569.2622
ENERGY: 272 21021.5584 18896.0661 5692.8269 184.9335 -335921.4615 22015.0581 0.0000 0.0000 45607.7076 -222503.3110 165.9083 -268111.0186 -222081.1571 165.9083 -2551.9684 -2501.8804 921491.4634 -2551.9684 -2501.8804
ENERGY: 273 20123.2136 18932.9080 5697.5117 183.8526 -334925.7013 21985.5297 0.0000 0.0000 45502.7161 -222499.9695 165.5264 -268002.6856 -222069.0458 165.5264 -1837.1976 -2434.6760 921491.4634 -1837.1976 -2434.6760
ENERGY: 274 20074.7416 19121.4862 5701.6806 183.0070 -333931.6258 21965.2977 0.0000 0.0000 44478.5176 -222406.8951 161.8006 -266885.4128 -222066.8028 161.8006 -1366.5213 -2384.6634 921491.4634 -1366.5213 -2384.6634
ENERGY: 275 20005.4316 19374.0680 5703.3424 182.5376 -333318.5604 21960.8300 0.0000 0.0000 43741.9684 -222350.3824 159.1213 -266092.3508 -222065.7692 159.1213 -1269.7931 -2374.8869 921491.4634 -1269.7931 -2374.8869
ENERGY: 276 19401.8501 19594.7508 5701.2546 182.4904 -333292.1282 21971.0410 0.0000 0.0000 44028.5273 -222412.2140 160.1637 -266440.7413 -222072.9395 160.1637 -1580.1299 -2417.6040 921491.4634 -1580.1299 -2417.6040
ENERGY: 277 19149.2972 19724.7160 5695.5210 182.9396 -333864.3454 21997.2387 0.0000 0.0000 44632.8112 -222481.8217 162.3619 -267114.6329 -222061.0988 162.3619 -2311.7544 -2498.0544 921491.4634 -2311.7544 -2498.0544
ENERGY: 278 20199.4577 19713.7760 5686.9122 183.6585 -334821.1004 22041.3359 0.0000 0.0000 44532.2540 -222463.7061 161.9961 -266995.9602 -222063.4131 161.9961 -3254.8155 -2593.7696 921491.4634 -3254.8155 -2593.7696
ENERGY: 279 21984.3648 19593.9431 5677.5176 184.5187 -335888.5801 22096.4199 0.0000 0.0000 43975.0881 -222376.7279 159.9693 -266351.8160 -222065.2023 159.9693 -4044.3212 -2682.8389 921491.4634 -4044.3212 -2682.8389
TIMING: 280 CPU: 133.445, 0.47105/step Wall: 133.445, 0.47105/step, 0.0287864 hours remaining, 3223.703125 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 22859.3228 19458.4366 5670.0026 185.3899 -336752.6633 22145.1354 0.0000 0.0000 44066.7341 -222367.6419 160.3027 -266434.3759 -222073.4247 160.3027 -4286.3893 -2748.0546 921491.4634 -4286.3893 -2748.0546
ENERGY: 281 22172.5958 19445.1183 5667.0588 186.2206 -337154.6804 22172.1192 0.0000 0.0000 45063.2425 -222448.3253 163.9277 -267511.5677 -222064.8518 163.9277 -3881.2951 -2782.5902 921491.4634 -3881.2951 -2782.5902
ENERGY: 282 20943.7898 19615.5379 5669.9796 186.8360 -336942.5036 22176.7655 0.0000 0.0000 45823.3371 -222526.2577 166.6927 -268349.5948 -222063.3316 166.6927 -2992.3272 -2779.3668 921491.4634 -2992.3272 -2779.3668
ENERGY: 283 20432.1061 19966.6615 5678.8137 187.1634 -336251.9203 22171.0649 0.0000 0.0000 45328.8521 -222487.2586 164.8939 -267816.1108 -222060.8459 164.8939 -2008.7737 -2748.2306 921491.4634 -2008.7737 -2748.2306
ENERGY: 284 20506.3998 20401.8823 5692.0830 187.1346 -335412.6302 22166.2910 0.0000 0.0000 44071.4482 -222387.3914 160.3198 -266458.8395 -222061.5539 160.3198 -1267.2791 -2712.3902 921491.4634 -1267.2791 -2712.3902
ENERGY: 285 20203.3287 20789.9630 5707.3564 186.7145 -334827.1968 22167.0166 0.0000 0.0000 43418.2632 -222354.5544 157.9437 -265772.8177 -222053.5966 157.9437 -1010.8438 -2700.0820 921491.4634 -1010.8438 -2700.0820
ENERGY: 286 19396.6309 20966.5624 5721.5031 185.8229 -334658.1151 22176.6863 0.0000 0.0000 43785.6882 -222425.2212 159.2803 -266210.9094 -222054.0582 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1191 20856.7824 5731.9346 184.4714 -334918.1482 22200.2910 0.0000 0.0000 44282.9438 -222485.6058 161.0892 -266768.5496 -222055.7253 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2088 20475.2852 5736.9557 182.7335 -335468.3150 22237.9038 0.0000 0.0000 44116.9905 -222455.2375 160.4855 -266572.2280 -222066.9053 160.4855 -3310.5878 -2790.1553 921491.4634 -3310.5878 -2790.1553
ENERGY: 289 21886.4833 19928.6979 5736.1905 180.7560 -336126.9124 22279.0690 0.0000 0.0000 43733.4515 -222382.2642 159.0903 -266115.7156 -222062.2724 159.0903 -4368.9813 -2809.8749 921491.4634 -4368.9813 -2809.8749
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 290 22615.9842 19325.5266 5730.3279 178.6973 -336571.4575 22308.2175 0.0000 0.0000 44027.4237 -222385.2803 160.1597 -266412.7040 -222063.4684 160.1597 -4815.3285 -2796.0390 921491.4634 -4815.3285 -2796.0390
ENERGY: 291 22115.7701 18802.2909 5721.4122 176.7646 -336554.3558 22315.5630 0.0000 0.0000 44963.0867 -222459.4683 163.5634 -267422.5550 -222063.1775 163.5634 -4450.6673 -2738.1108 921491.4634 -4450.6673 -2738.1108
ENERGY: 292 21262.5910 18472.4016 5712.2431 175.1750 -335987.2700 22302.8784 0.0000 0.0000 45560.3454 -222501.6354 165.7360 -268061.9808 -222072.5161 165.7360 -3435.4156 -2639.3512 921491.4634 -3435.4156 -2639.3512
ENERGY: 293 20783.4661 18411.7343 5705.7252 174.1484 -335092.9706 22279.1182 0.0000 0.0000 45283.4160 -222455.3625 164.7286 -267738.7785 -222061.5454 164.7286 -2166.7337 -2517.2544 921491.4634 -2166.7337 -2517.2544
ENERGY: 294 20398.6127 18589.6437 5703.5791 173.8101 -334179.1787 22254.0800 0.0000 0.0000 44662.2339 -222397.2193 162.4689 -267059.4531 -222058.8850 162.4689 -1006.6042 -2405.5592 921491.4634 -1006.6042 -2405.5592
ENERGY: 295 19706.6741 18924.3584 5706.2255 174.2141 -333602.5016 22236.6569 0.0000 0.0000 44449.5913 -222404.7814 161.6954 -266854.3727 -222057.5861 161.6954 -311.5567 -2335.1538 921491.4634 -311.5567 -2335.1538
ENERGY: 296 19122.8991 19301.4533 5712.5929 175.3095 -333576.4727 22236.1189 0.0000 0.0000 44573.6029 -222454.4960 162.1465 -267028.0989 -222067.3939 162.1465 -347.2083 -2322.9740 921491.4634 -347.2083 -2322.9740
ENERGY: 297 19439.7490 19641.8018 5720.7182 176.9777 -334148.9755 22258.2525 0.0000 0.0000 44466.2677 -222445.2086 161.7561 -266911.4763 -222050.8187 161.7561 -1189.5387 -2359.0875 921491.4634 -1189.5387 -2359.0875
ENERGY: 298 20578.5046 19886.6665 5727.8935 178.9488 -335137.5240 22299.1411 0.0000 0.0000 44067.5344 -222398.8351 160.3056 -266466.3695 -222053.6276 160.3056 -2519.0812 -2427.9309 921491.4634 -2519.0812 -2427.9309
ENERGY: 299 21598.9654 20050.9661 5731.9440 180.9390 -336266.8205 22346.0658 0.0000 0.0000 43977.6324 -222380.3078 159.9785 -266357.9402 -222056.3729 159.9785 -3820.1263 -2506.2687 921491.4634 -3820.1263 -2506.2687
LDB: ============= START OF LOAD BALANCING ============== 148.8
LDB: Largest compute 200 load 0.522430 is 1.1% of average load 45.734371
LDB: Average compute 0.064059 is 0.1% of average load 45.734371
LDB: TIME 148.801 LOAD: AVG 45.7344 MAX 47.1772 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.9 MB
LDB: TIME 148.802 LOAD: AVG 45.7344 MAX 47.1772 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3223.9 MB
LDB: TIME 148.819 LOAD: AVG 45.7344 MAX 46.2418 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3223.9 MB
LDB: ============== END OF LOAD BALANCING =============== 148.82
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.822
Info: Initial time: 4 CPUs 0.471471 s/step 5.45684 days/ns 3223.9 MB memory
TIMING: 300 CPU: 142.88, 0.471741/step Wall: 142.88, 0.471741/step, 0.0262079 hours remaining, 3223.902344 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 300 21869.9880 20174.1889 5731.6695 182.6816 -337209.9032 22385.4780 0.0000 0.0000 44423.7999 -222442.0974 161.6016 -266865.8972 -222076.5870 161.6016 -4600.9408 -2563.6019 921491.4634 -4600.9408 -2563.6019
ENERGY: 301 21754.7697 20299.7853 5727.3852 184.0330 -337665.1002 22409.6627 0.0000 0.0000 44817.7468 -222471.7175 163.0346 -267289.4643 -222059.2469 163.0346 -4657.8463 -2584.2293 921491.4634 -4657.8463 -2584.2293
ENERGY: 302 21723.0647 20395.7908 5720.2599 184.8676 -337483.0154 22416.9292 0.0000 0.0000 44599.2670 -222442.8361 162.2399 -267042.1032 -222057.3400 162.2399 -3958.8649 -2554.2736 921491.4634 -3958.8649 -2554.2736
ENERGY: 303 21512.5328 20430.0801 5712.5286 185.2198 -336784.9552 22409.2049 0.0000 0.0000 44154.6910 -222380.6980 160.6226 -266535.3890 -222054.2089 160.6226 -2717.2719 -2487.9822 921491.4634 -2717.2719 -2487.9822
ENERGY: 304 20579.5055 20379.6044 5706.6112 185.2163 -335895.7346 22392.3088 0.0000 0.0000 44259.5533 -222392.9351 161.0041 -266652.4884 -222063.7238 161.0041 -1310.8210 -2411.5371 921491.4634 -1310.8210 -2411.5371
ENERGY: 305 19294.2488 20267.1926 5704.5649 185.0761 -335184.3678 22377.9876 0.0000 0.0000 44903.5552 -222451.7427 163.3468 -267355.2979 -222049.0630 163.3468 -285.4666 -2359.8440 921491.4634 -285.4666 -2359.8440
ENERGY: 306 18813.6234 20091.4461 5706.8791 184.8700 -334861.4715 22380.1170 0.0000 0.0000 45195.6070 -222488.9289 164.4092 -267684.5358 -222048.9454 164.4092 -34.4476 -2342.9901 921491.4634 -34.4476 -2342.9901
ENERGY: 307 19699.8291 19880.2870 5712.8835 184.6555 -334994.2781 22404.6079 0.0000 0.0000 44676.1362 -222435.8789 162.5195 -267112.0152 -222050.4565 162.5195 -686.7126 -2362.0197 921491.4634 -686.7126 -2362.0197
ENERGY: 308 21066.5787 19666.1167 5720.7564 184.4262 -335495.7178 22443.3091 0.0000 0.0000 44039.4394 -222375.0912 160.2034 -266414.5307 -222060.2283 160.2034 -1960.6042 -2406.6006 921491.4634 -1960.6042 -2406.6006
ENERGY: 309 21696.0232 19507.1878 5728.2464 184.2113 -336171.4696 22480.8021 0.0000 0.0000 44190.3410 -222384.6579 160.7523 -266574.9989 -222050.0296 160.7523 -3383.0055 -2467.8899 921491.4634 -3383.0055 -2467.8899
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 310 21508.7272 19421.0237 5732.7586 183.9063 -336693.8609 22505.8456 0.0000 0.0000 44871.0068 -222470.5926 163.2284 -267341.5994 -222052.4940 163.2284 -4424.6314 -2515.2223 921491.4634 -4424.6314 -2515.2223
ENERGY: 311 21459.6721 19421.2606 5732.5580 183.4896 -336798.7865 22515.0559 0.0000 0.0000 44986.9608 -222499.7894 163.6502 -267486.7502 -222053.3070 163.6502 -4795.7694 -2523.0993 921491.4634 -4795.7694 -2523.0993
ENERGY: 312 21894.2737 19475.0867 5727.0397 182.9545 -336390.8677 22507.7149 0.0000 0.0000 44171.5548 -222432.2433 160.6840 -266603.7982 -222064.5095 160.6840 -4390.5735 -2479.7747 921491.4634 -4390.5735 -2479.7747
ENERGY: 313 21935.6983 19529.7470 5717.1322 182.3602 -335633.4776 22483.0130 0.0000 0.0000 43439.9889 -222345.5380 158.0227 -265785.5269 -222050.9856 158.0227 -3324.4414 -2406.1160 921491.4634 -3324.4414 -2406.1160
ENERGY: 314 20774.0372 19507.1856 5704.6248 181.6523 -334801.1007 22445.5164 0.0000 0.0000 43813.5137 -222374.5708 159.3815 -266188.0845 -222048.2694 159.3815 -1862.2383 -2326.9767 921491.4634 -1862.2383 -2326.9767
ENERGY: 315 19161.1203 19408.2595 5692.2116 180.8666 -334233.4705 22410.8357 0.0000 0.0000 44907.4429 -222472.7338 163.3609 -267380.1767 -222046.1400 163.3609 -549.3943 -2270.2360 921491.4634 -549.3943 -2270.2360
ENERGY: 316 18669.4293 19303.6207 5682.5270 180.0732 -334172.3646 22398.3989 0.0000 0.0000 45428.4348 -222509.8807 165.2562 -267938.3155 -222062.0711 165.2562 64.5860 -2251.8059 921491.4634 64.5860 -2251.8059
ENERGY: 317 19739.5966 19309.4452 5677.5265 179.4130 -334705.9339 22416.0669 0.0000 0.0000 44959.2154 -222424.6703 163.5493 -267383.8857 -222046.6271 163.5493 -296.1490 -2282.4174 921491.4634 -296.1490 -2282.4174
ENERGY: 318 21109.3874 19471.3043 5677.4840 178.9393 -335675.6977 22454.1809 0.0000 0.0000 44425.4200 -222358.9819 161.6075 -266784.4019 -222048.7807 161.6075 -1378.4201 -2356.1402 921491.4634 -1378.4201 -2356.1402
ENERGY: 319 21567.4382 19787.0343 5681.4413 178.7485 -336801.6069 22496.5473 0.0000 0.0000 44691.1809 -222399.2164 162.5742 -267090.3973 -222051.9252 162.5742 -2725.8797 -2457.2025 921491.4634 -2725.8797 -2457.2025
TIMING: 320 CPU: 152.1, 0.461/step Wall: 152.1, 0.461/step, 0.02305 hours remaining, 3223.902344 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 320 21393.3834 20196.2691 5687.3971 178.9168 -337738.1161 22532.5474 0.0000 0.0000 45250.4877 -222499.1147 164.6088 -267749.6024 -222076.2074 164.6088 -3895.6021 -2553.5002 921491.4634 -3895.6021 -2553.5002
ENERGY: 321 21615.1672 20628.0218 5693.0806 179.5146 -338181.7104 22557.3345 0.0000 0.0000 45018.7805 -222489.8113 163.7660 -267508.5918 -222064.2790 163.7660 -4609.2358 -2621.5363 921491.4634 -4609.2358 -2621.5363
ENERGY: 322 22179.0068 20957.0457 5696.1855 180.4970 -337965.9630 22565.0702 0.0000 0.0000 43989.5239 -222398.6339 160.0218 -266388.1578 -222063.6579 160.0218 -4596.8828 -2640.5013 921491.4634 -4596.8828 -2640.5013
ENERGY: 323 21976.7004 21085.8080 5695.4506 181.8003 -337194.0745 22550.8102 0.0000 0.0000 43361.4903 -222342.0148 157.7372 -265703.5051 -222061.4467 157.7372 -3808.3605 -2616.6944 921491.4634 -3808.3605 -2616.6944
ENERGY: 324 20558.5067 20952.0213 5690.8582 183.3007 -336170.3972 22520.5740 0.0000 0.0000 43857.2501 -222407.8863 159.5406 -266265.1364 -222068.7482 159.5406 -2506.6900 -2573.6930 921491.4634 -2506.6900 -2573.6930
ENERGY: 325 19096.1751 20584.7377 5683.7433 184.8442 -335297.0510 22494.0543 0.0000 0.0000 44763.3954 -222490.1010 162.8369 -267253.4965 -222060.9512 162.8369 -1264.0245 -2529.6546 921491.4634 -1264.0245 -2529.6546
ENERGY: 326 18959.6361 20052.8003 5675.9627 186.2078 -334820.0101 22490.4167 0.0000 0.0000 44971.8222 -222483.1642 163.5951 -267454.9864 -222059.6108 163.5951 -572.2142 -2503.0558 921491.4634 -572.2142 -2503.0558
ENERGY: 327 20020.7821 19506.2793 5669.7116 187.2139 -334851.2526 22513.0144 0.0000 0.0000 44550.7424 -222403.5089 162.0634 -266954.2514 -222059.8760 162.0634 -657.4992 -2506.5014 921491.4634 -657.4992 -2506.5014
ENERGY: 328 20934.1977 19092.0091 5666.7484 187.7399 -335303.4708 22549.7451 0.0000 0.0000 44493.2356 -222379.7950 161.8542 -266873.0306 -222061.7261 161.8542 -1393.2038 -2547.3519 921491.4634 -1393.2038 -2547.3519
ENERGY: 329 21066.6662 18910.0876 5668.0553 187.7546 -335996.4125 22586.9564 0.0000 0.0000 45124.3166 -222452.5757 164.1499 -267576.8923 -222059.3368 164.1499 -2499.2291 -2610.9952 921491.4634 -2499.2291 -2610.9952
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 330 21142.6833 18933.5042 5673.1988 187.2569 -336566.3116 22617.7578 0.0000 0.0000 45495.0146 -222516.8959 165.4984 -268011.9105 -222062.1152 165.4984 -3602.9590 -2673.3213 921491.4634 -3602.9590 -2673.3213
ENERGY: 331 21864.6855 19091.0591 5680.9136 186.3262 -336735.1750 22637.2714 0.0000 0.0000 44806.2162 -222468.7031 162.9927 -267274.9192 -222063.3974 162.9927 -4373.7648 -2707.8812 921491.4634 -4373.7648 -2707.8812
ENERGY: 332 22513.8607 19292.8541 5689.3391 185.0892 -336383.5019 22636.4043 0.0000 0.0000 43697.6284 -222368.3261 158.9600 -266065.9545 -222061.8461 158.9600 -4514.5071 -2704.7031 921491.4634 -4514.5071 -2704.7031
ENERGY: 333 21854.9974 19482.7897 5696.6505 183.7309 -335681.4580 22608.9728 0.0000 0.0000 43501.2419 -222353.0748 158.2456 -265854.3167 -222052.0752 158.2456 -3943.3087 -2666.2162 921491.4634 -3943.3087 -2666.2162
ENERGY: 334 20023.4848 19603.2614 5701.0454 182.3864 -334880.5299 22564.8641 0.0000 0.0000 44357.3054 -222448.1825 161.3597 -266805.4878 -222049.6960 161.3597 -2855.3039 -2607.1877 921491.4634 -2855.3039 -2607.1877
ENERGY: 335 18726.9582 19647.0448 5701.6423 181.1975 -334325.9453 22528.7344 0.0000 0.0000 45026.6266 -222513.7414 163.7945 -267540.3680 -222047.5432 163.7945 -1753.1270 -2542.6965 921491.4634 -1753.1270 -2542.6965
ENERGY: 336 19127.9134 19639.0994 5698.6022 180.2744 -334271.7854 22519.6996 0.0000 0.0000 44649.6649 -222456.5316 162.4232 -267106.1965 -222055.6202 162.4232 -1093.5005 -2488.8702 921491.4634 -1093.5005 -2488.8702
ENERGY: 337 20420.1633 19649.7062 5693.3319 179.7347 -334824.3557 22536.4221 0.0000 0.0000 43995.5998 -222349.3976 160.0439 -266344.9975 -222040.1025 160.0439 -1064.7184 -2460.5860 921491.4634 -1064.7184 -2460.5860
ENERGY: 338 21007.5744 19722.4643 5687.5590 179.5437 -335808.8619 22564.1942 0.0000 0.0000 44285.9174 -222361.6088 161.1000 -266647.5262 -222041.5958 161.1000 -1500.9499 -2462.8576 921491.4634 -1500.9499 -2462.8576
ENERGY: 339 20742.6008 19892.4866 5683.2969 179.6501 -336924.5159 22593.0216 0.0000 0.0000 45359.3480 -222474.1120 165.0048 -267833.4600 -222043.8630 165.0048 -2199.9376 -2485.1215 921491.4634 -2199.9376 -2485.1215
TIMING: 340 CPU: 161.322, 0.461112/step Wall: 161.322, 0.461112/step, 0.0204939 hours remaining, 3223.902344 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 340 20898.6066 20139.5374 5681.9995 179.9655 -337821.3683 22621.7134 0.0000 0.0000 45758.5730 -222540.9728 166.4571 -268299.5458 -222070.3956 166.4571 -2966.9710 -2503.9486 921491.4634 -2966.9710 -2503.9486
ENERGY: 341 22051.8627 20407.8964 5684.3134 180.4786 -338209.1667 22646.3197 0.0000 0.0000 44797.5819 -222440.7140 162.9613 -267238.2959 -222054.5351 162.9613 -3585.3815 -2498.5443 921491.4634 -3585.3815 -2498.5443
ENERGY: 342 22895.9214 20582.1012 5689.2420 181.0293 -337942.4475 22653.2569 0.0000 0.0000 43612.4989 -222328.3978 158.6503 -265940.8967 -222054.3605 158.6503 -3711.7548 -2460.9856 921491.4634 -3711.7548 -2460.9856
ENERGY: 343 21993.5594 20596.8906 5695.1198 181.5548 -337132.3419 22633.1271 0.0000 0.0000 43686.5576 -222345.5325 158.9197 -266032.0901 -222053.2451 158.9197 -3217.8264 -2399.3477 921491.4634 -3217.8264 -2399.3477
ENERGY: 344 19898.5078 20447.2067 5699.9573 182.0106 -336095.2676 22596.5926 0.0000 0.0000 44790.9366 -222480.0561 162.9371 -267270.9926 -222071.3579 162.9371 -2338.1161 -2329.7493 921491.4634 -2338.1161 -2329.7493
ENERGY: 345 18694.7357 20199.0881 5702.3270 182.4513 -335224.1274 22568.7534 0.0000 0.0000 45351.4662 -222525.3057 164.9762 -267876.7718 -222058.0556 164.9762 -1576.2391 -2261.7961 921491.4634 -1576.2391 -2261.7961
ENERGY: 346 19350.9890 19892.9541 5701.0894 182.7368 -334783.0721 22565.1335 0.0000 0.0000 44652.5020 -222437.6674 162.4335 -267090.1694 -222056.8257 162.4335 -1239.3023 -2211.7782 921491.4634 -1239.3023 -2211.7782
ENERGY: 347 20669.8295 19583.9409 5696.3949 182.8447 -334881.4385 22581.1980 0.0000 0.0000 43831.1329 -222336.0977 159.4456 -266167.2306 -222056.9475 159.4456 -1358.8147 -2194.9213 921491.4634 -1358.8147 -2194.9213
ENERGY: 348 21062.2470 19315.9902 5689.3479 182.7918 -335425.6668 22604.2199 0.0000 0.0000 44195.9879 -222375.0821 160.7729 -266571.0700 -222064.0949 160.7729 -1766.2768 -2218.9158 921491.4634 -1766.2768 -2218.9158
ENERGY: 349 20718.9513 19143.3230 5681.9007 182.6959 -336197.3783 22630.4373 0.0000 0.0000 45349.6299 -222490.4402 164.9695 -267840.0700 -222056.3110 164.9695 -2336.6408 -2270.6251 921491.4634 -2336.6408 -2270.6251
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 350 21009.3451 19066.8675 5675.7227 182.5405 -336836.8356 22661.9752 0.0000 0.0000 45710.0739 -222530.3107 166.2807 -268240.3846 -222058.0878 166.2807 -2896.5510 -2326.8868 921491.4634 -2896.5510 -2326.8868
ENERGY: 351 22235.3180 19085.8714 5672.3993 182.3761 -337072.3449 22693.2955 0.0000 0.0000 44770.4139 -222432.6705 162.8625 -267203.0844 -222058.6357 162.8625 -3254.0187 -2369.0508 921491.4634 -3254.0187 -2369.0508
ENERGY: 352 22912.9249 19180.1282 5672.7329 182.2243 -336794.7861 22708.6918 0.0000 0.0000 43795.3995 -222342.6844 159.3156 -266138.0839 -222059.3900 159.3156 -3190.0137 -2394.0291 921491.4634 -3190.0137 -2394.0291
ENERGY: 353 21825.9774 19344.0937 5676.6445 182.1014 -336147.6554 22699.4231 0.0000 0.0000 44043.1860 -222376.2293 160.2170 -266419.4154 -222047.6765 160.2170 -2709.1542 -2407.4665 921491.4634 -2709.1542 -2407.4665
ENERGY: 354 19814.0380 19544.5092 5682.7360 181.9868 -335375.1829 22676.8665 0.0000 0.0000 44983.0762 -222491.9701 163.6361 -267475.0463 -222046.2244 163.6361 -2040.9899 -2415.4743 921491.4634 -2040.9899 -2415.4743
ENERGY: 355 18879.8418 19773.7509 5689.2466 181.9196 -334823.9962 22664.4419 0.0000 0.0000 45120.2682 -222514.5273 164.1351 -267634.7955 -222044.8384 164.1351 -1600.3170 -2424.6828 921491.4634 -1600.3170 -2424.6828
ENERGY: 356 19622.4371 20015.8110 5694.4280 181.9402 -334758.7694 22674.4077 0.0000 0.0000 44153.0888 -222416.6565 160.6168 -266569.7453 -222053.0962 160.6168 -1622.0264 -2446.8266 921491.4634 -1622.0264 -2446.8266
ENERGY: 357 20687.2712 20255.1056 5697.1707 182.0215 -335288.0648 22700.2947 0.0000 0.0000 43438.0180 -222328.1830 158.0156 -265766.2011 -222042.2330 158.0156 -2061.3608 -2486.6663 921491.4634 -2061.3608 -2486.6663
ENERGY: 358 20785.4065 20424.8431 5696.9832 182.1295 -336225.9481 22730.2417 0.0000 0.0000 44019.5825 -222386.7616 160.1311 -266406.3441 -222043.9945 160.1311 -2636.8581 -2541.3593 921491.4634 -2636.8581 -2541.3593
ENERGY: 359 20493.6440 20484.4986 5694.4424 182.1894 -337270.5930 22762.0666 0.0000 0.0000 45152.8981 -222500.8540 164.2538 -267653.7521 -222046.1001 164.2538 -3161.2177 -2593.4281 921491.4634 -3161.2177 -2593.4281
TIMING: 360 CPU: 170.538, 0.460781/step Wall: 170.538, 0.460781/step, 0.0179193 hours remaining, 3223.902344 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 360 21112.5811 20418.0335 5690.9151 182.1442 -338077.5508 22797.1675 0.0000 0.0000 45362.4569 -222514.2523 165.0162 -267876.7093 -222065.3876 165.0162 -3505.9503 -2622.8572 921491.4634 -3505.9503 -2622.8572
ENERGY: 361 22462.8274 20259.6927 5688.3191 181.9496 -338397.1524 22827.2219 0.0000 0.0000 44580.8520 -222396.2897 162.1729 -266977.1417 -222052.4540 162.1729 -3542.5441 -2618.5019 921491.4634 -3542.5441 -2618.5019
ENERGY: 362 22808.6001 20031.2790 5688.3203 181.6678 -338079.7610 22835.7524 0.0000 0.0000 44200.9551 -222333.1861 160.7909 -266534.1412 -222051.2756 160.7909 -3087.0695 -2583.1905 921491.4634 -3087.0695 -2583.1905
ENERGY: 363 21303.6019 19794.1188 5692.1162 181.3427 -337235.0086 22818.0650 0.0000 0.0000 45033.6626 -222412.1014 163.8201 -267445.7641 -222049.5299 163.8201 -2242.6818 -2529.7064 921491.4634 -2242.6818 -2529.7064
ENERGY: 364 19323.8974 19612.6013 5699.8913 181.0103 -336175.1993 22790.5192 0.0000 0.0000 46034.3488 -222532.9311 167.4603 -268567.2799 -222068.5916 167.4603 -1420.0424 -2476.3756 921491.4634 -1420.0424 -2476.3756
ENERGY: 365 18830.5839 19548.3419 5710.7558 180.6857 -335316.0963 22775.7829 0.0000 0.0000 45760.0886 -222509.8575 166.4626 -268269.9461 -222057.4400 166.4626 -1100.2606 -2433.4822 921491.4634 -1100.2606 -2433.4822
ENERGY: 366 19854.2639 19578.5647 5722.5902 180.3919 -334923.1923 22780.3501 0.0000 0.0000 44422.2468 -222384.7846 161.5959 -266807.0315 -222057.2775 161.5959 -1392.6926 -2417.6863 921491.4634 -1392.6926 -2417.6863
ENERGY: 367 20741.0597 19662.8833 5732.9484 180.1165 -335098.3151 22794.3493 0.0000 0.0000 43662.6182 -222324.3398 158.8326 -265986.9580 -222058.3711 158.8326 -2104.1274 -2437.9268 921491.4634 -2104.1274 -2437.9268
ENERGY: 368 20561.5937 19748.2119 5739.6691 179.8275 -335728.0871 22808.6651 0.0000 0.0000 44272.8405 -222417.2794 161.0524 -266690.1199 -222068.2913 161.0524 -2928.4886 -2487.3070 921491.4634 -2928.4886 -2487.3070
ENERGY: 369 20346.9676 19812.6205 5741.6369 179.5048 -336580.3304 22825.3357 0.0000 0.0000 45155.6307 -222518.6341 164.2638 -267674.2648 -222061.1002 164.2638 -3666.9890 -2542.4574 921491.4634 -3666.9890 -2542.4574
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 370 21302.3704 19815.7282 5738.6028 179.1429 -337296.0550 22846.3048 0.0000 0.0000 44920.4942 -222493.4117 163.4084 -267413.9059 -222062.2626 163.4084 -4081.4435 -2576.8189 921491.4634 -4081.4435 -2576.8189
ENERGY: 371 22799.2770 19758.4807 5731.5881 178.8004 -337606.4365 22861.3509 0.0000 0.0000 43904.8960 -222372.0434 159.7139 -266276.9394 -222061.9339 159.7139 -3956.1478 -2578.2817 921491.4634 -3956.1478 -2578.2817
ENERGY: 372 22964.3596 19665.2849 5722.4283 178.5955 -337391.7866 22854.0835 0.0000 0.0000 43672.6555 -222334.3793 158.8691 -266007.0348 -222060.3196 158.8691 -3189.3380 -2552.6172 921491.4634 -3189.3380 -2552.6172
ENERGY: 373 21253.1595 19603.3416 5713.4759 178.7080 -336784.3110 22822.4879 0.0000 0.0000 44782.9952 -222430.1429 162.9082 -267213.1381 -222050.3115 162.9082 -2037.0648 -2511.6656 921491.4634 -2037.0648 -2511.6656
ENERGY: 374 19285.9364 19613.0720 5706.5680 179.1985 -336019.1232 22785.5046 0.0000 0.0000 45912.3282 -222536.5156 167.0164 -268448.8438 -222048.2691 167.0164 -983.4306 -2469.0310 921491.4634 -983.4306 -2469.0310
ENERGY: 375 18893.7028 19735.2394 5703.0316 180.0533 -335443.7685 22766.6831 0.0000 0.0000 45660.9722 -222504.0861 166.1021 -268165.0583 -222047.0944 166.1021 -539.4861 -2439.8661 921491.4634 -539.4861 -2439.8661
ENERGY: 376 19884.0274 19962.1764 5703.2010 181.1433 -335321.8632 22772.8698 0.0000 0.0000 44434.3276 -222384.1176 161.6399 -266818.4452 -222050.5530 161.6399 -874.6223 -2439.6903 921491.4634 -874.6223 -2439.6903
ENERGY: 377 20646.4609 20251.1595 5706.5521 182.3249 -335763.5802 22794.3771 0.0000 0.0000 43848.2755 -222334.4303 159.5080 -266182.7058 -222041.4013 159.5080 -1819.5859 -2472.4986 921491.4634 -1819.5859 -2472.4986
ENERGY: 378 20473.8098 20495.6597 5711.4639 183.2952 -336584.2280 22821.5834 0.0000 0.0000 44474.7538 -222423.6622 161.7869 -266898.4160 -222044.3968 161.7869 -2972.9874 -2523.3499 921491.4634 -2972.9874 -2523.3499
ENERGY: 379 20419.4575 20623.8794 5716.2160 183.8420 -337495.6097 22854.5150 0.0000 0.0000 45185.6416 -222512.0583 164.3729 -267697.6998 -222047.0130 164.3729 -3997.4172 -2563.3073 921491.4634 -3997.4172 -2563.3073
TIMING: 380 CPU: 179.745, 0.460377/step Wall: 179.745, 0.460377/step, 0.0153459 hours remaining, 3223.902344 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 380 21458.1130 20605.4122 5719.3306 183.8284 -338176.3453 22892.6527 0.0000 0.0000 44833.7903 -222483.2182 163.0930 -267317.0084 -222063.6480 163.0930 -4580.2701 -2564.2102 921491.4634 -4580.2701 -2564.2102
ENERGY: 381 22824.3126 20467.0312 5720.1164 183.2929 -338395.2411 22923.6567 0.0000 0.0000 43906.3005 -222370.5308 159.7191 -266276.8313 -222053.0347 159.7191 -4470.7194 -2514.6121 921491.4634 -4470.7194 -2514.6121
ENERGY: 382 22844.1902 20220.4986 5718.3197 182.2157 -338010.6533 22930.5471 0.0000 0.0000 43766.5300 -222348.3519 159.2106 -266114.8819 -222051.0363 159.2106 -3524.7148 -2418.5489 921491.4634 -3524.7148 -2418.5489
ENERGY: 383 21263.6991 19910.9246 5714.6670 180.7420 -337128.0226 22911.2843 0.0000 0.0000 44707.9447 -222438.7611 162.6352 -267146.7058 -222048.1880 162.6352 -2023.0802 -2294.0132 921491.4634 -2023.0802 -2294.0132
ENERGY: 384 19625.4112 19596.0352 5710.5349 179.0647 -336052.0486 22884.2532 0.0000 0.0000 45539.1836 -222517.5658 165.6590 -268056.7494 -222062.0926 165.6590 -569.2379 -2166.9357 921491.4634 -569.2379 -2166.9357
ENERGY: 385 19327.8181 19356.8910 5707.7751 177.4354 -335210.6402 22871.6142 0.0000 0.0000 45299.7173 -222469.3890 164.7879 -267769.1063 -222051.0994 164.7879 215.3513 -2064.3636 921491.4634 215.3513 -2064.3636
ENERGY: 386 19981.2275 19220.9462 5707.6637 175.9384 -334865.1819 22880.7956 0.0000 0.0000 44519.8588 -222378.7516 161.9510 -266898.6104 -222051.0438 161.9510 122.6668 -2011.2427 921491.4634 122.6668 -2011.2427
ENERGY: 387 20367.2861 19202.4842 5710.9354 174.6759 -335109.8727 22905.2743 0.0000 0.0000 44377.1818 -222372.0350 161.4320 -266749.2168 -222053.0051 161.4320 -738.9586 -2019.1688 921491.4634 -738.9586 -2019.1688
ENERGY: 388 20282.3986 19280.0166 5717.2934 173.7038 -335824.1518 22938.2899 0.0000 0.0000 44972.7764 -222459.6730 163.5986 -267432.4494 -222067.4816 163.5986 -2063.8554 -2076.2820 921491.4634 -2063.8554 -2076.2820
ENERGY: 389 20685.9712 19431.2563 5725.6291 173.0778 -336772.2803 22978.5919 0.0000 0.0000 45279.3796 -222498.3744 164.7139 -267777.7540 -222059.2964 164.7139 -3501.7338 -2158.1992 921491.4634 -3501.7338 -2158.1992
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 390 21929.5050 19598.7448 5733.9032 172.7580 -337596.2512 23021.3362 0.0000 0.0000 44698.9839 -222441.0201 162.6026 -267140.0040 -222061.4794 162.6026 -4540.4921 -2229.7774 921491.4634 -4540.4921 -2229.7774
ENERGY: 391 22937.3142 19764.3496 5740.3107 172.7562 -338017.7276 23051.7299 0.0000 0.0000 43987.0073 -222364.2597 160.0126 -266351.2670 -222061.6920 160.0126 -4746.5204 -2270.9348 921491.4634 -4746.5204 -2270.9348
ENERGY: 392 22488.0357 19924.0529 5743.6079 173.0775 -337898.4688 23055.0073 0.0000 0.0000 44125.3370 -222389.3504 160.5158 -266514.6875 -222067.3168 160.5158 -3965.0285 -2276.9602 921491.4634 -3965.0285 -2276.9602
ENERGY: 393 20924.3593 20087.8869 5743.5041 173.6901 -337346.1131 23032.5727 0.0000 0.0000 44913.3821 -222470.7178 163.3825 -267384.1000 -222058.1709 163.3825 -2525.7425 -2257.0109 921491.4634 -2525.7425 -2257.0109
ENERGY: 394 19713.0844 20210.4904 5740.1180 174.4904 -336587.4371 23002.1145 0.0000 0.0000 45247.1174 -222500.0219 164.5966 -267747.1394 -222054.8628 164.5966 -988.4118 -2227.7232 921491.4634 -988.4118 -2227.7232
ENERGY: 395 19644.4020 20265.5070 5734.3763 175.3161 -335972.1488 22982.1022 0.0000 0.0000 44739.8937 -222430.5515 162.7514 -267170.4452 -222052.2373 162.7514 57.9320 -2215.1747 921491.4634 57.9320 -2215.1747
ENERGY: 396 20000.9212 20248.4509 5727.6303 175.9620 -335765.9673 22978.8840 0.0000 0.0000 44270.3050 -222363.8140 161.0432 -266634.1189 -222050.8947 161.0432 285.8963 -2246.0847 921491.4634 285.8963 -2246.0847
ENERGY: 397 19906.7785 20200.7713 5721.4919 176.2273 -336102.8179 22990.0377 0.0000 0.0000 44712.8672 -222394.6439 162.6531 -267107.5112 -222042.6598 162.6531 -376.0863 -2327.2100 921491.4634 -376.0863 -2327.2100
ENERGY: 398 19692.8115 20133.3594 5716.9813 176.0456 -336812.3379 23014.0588 0.0000 0.0000 45592.7318 -222486.3494 165.8538 -268079.0813 -222045.7220 165.8538 -1710.2236 -2443.6963 921491.4634 -1710.2236 -2443.6963
ENERGY: 399 20395.5106 20061.2893 5714.6367 175.4775 -337634.0282 23050.4589 0.0000 0.0000 45731.2022 -222505.4529 166.3575 -268236.6551 -222049.1601 166.3575 -3349.4390 -2564.3617 921491.4634 -3349.4390 -2564.3617
LDB: ============= START OF LOAD BALANCING ============== 194.905
LDB: Largest compute 230 load 0.534722 is 1.2% of average load 45.692399
LDB: Average compute 0.063984 is 0.1% of average load 45.692399
LDB: TIME 194.907 LOAD: AVG 45.6924 MAX 46.0837 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.9 MB
LDB: TIME 194.908 LOAD: AVG 45.6924 MAX 46.0837 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3223.9 MB
LDB: TIME 194.908 LOAD: AVG 45.6924 MAX 46.0837 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3223.9 MB
LDB: ============== END OF LOAD BALANCING =============== 194.908
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.909
Info: Benchmark time: 4 CPUs 0.460778 s/step 5.33308 days/ns 3223.9 MB memory
TIMING: 400 CPU: 188.962, 0.460824/step Wall: 188.962, 0.460824/step, 0.0128007 hours remaining, 3223.902344 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 400 21983.9555 19981.4883 5714.2278 174.7230 -338264.6725 23090.3530 0.0000 0.0000 44890.2676 -222429.6574 163.2985 -267319.9250 -222060.6834 163.2985 -4748.6076 -2656.9998 921491.4634 -4748.6076 -2656.9998
ENERGY: 401 23053.7069 19909.1478 5715.0561 174.0724 -338477.1019 23114.9569 0.0000 0.0000 44157.6671 -222352.4946 160.6335 -266510.1617 -222050.1993 160.6335 -5384.8813 -2700.1794 921491.4634 -5384.8813 -2700.1794
ENERGY: 402 22444.0476 19835.9108 5715.8942 173.8391 -338107.6281 23109.6381 0.0000 0.0000 44436.8091 -222391.4893 161.6489 -266828.2984 -222049.2229 161.6489 -4939.3792 -2681.7024 921491.4634 -4939.3792 -2681.7024
ENERGY: 403 20784.9692 19778.4826 5715.7217 174.2695 -337239.9778 23077.8405 0.0000 0.0000 45225.5955 -222483.0987 164.5183 -267708.6943 -222046.6857 164.5183 -3613.5977 -2605.7428 921491.4634 -3613.5977 -2605.7428
ENERGY: 404 19687.5953 19735.4026 5713.8113 175.5084 -336169.1133 23038.2903 0.0000 0.0000 45313.8385 -222504.6668 164.8393 -267818.5053 -222060.2371 164.8393 -1967.0745 -2494.0436 921491.4634 -1967.0745 -2494.0436
ENERGY: 405 19798.8803 19696.7723 5710.0280 177.6161 -335317.9341 23008.3951 0.0000 0.0000 44511.4426 -222414.7997 161.9204 -266926.2423 -222047.5589 161.9204 -627.4748 -2380.7860 921491.4634 -627.4748 -2380.7860
ENERGY: 406 20210.3505 19614.0441 5704.4964 180.4779 -334953.8232 22994.4766 0.0000 0.0000 43902.7656 -222347.2120 159.7062 -266249.9776 -222046.2403 159.7062 66.0353 -2300.4793 921491.4634 66.0353 -2300.4793
ENERGY: 407 20044.4888 19493.9063 5698.1031 183.8794 -335181.5228 22996.8164 0.0000 0.0000 44376.0629 -222388.2659 161.4279 -266764.3287 -222047.0770 161.4279 -41.3219 -2272.9967 921491.4634 -41.3219 -2272.9967
ENERGY: 408 19735.8469 19387.6643 5692.2151 187.5226 -335902.8216 23017.8177 0.0000 0.0000 45394.4116 -222487.3434 165.1324 -267881.7550 -222063.5313 165.1324 -920.8281 -2294.1555 921491.4634 -920.8281 -2294.1555
ENERGY: 409 20350.1187 19376.4607 5688.4775 191.1593 -336896.6844 23057.9925 0.0000 0.0000 45733.6053 -222498.8705 166.3663 -268232.4758 -222051.6706 166.3663 -2367.4918 -2346.9324 921491.4634 -2367.4918 -2346.9324
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 410 21850.5210 19470.1802 5687.6649 194.4179 -337813.1844 23106.2031 0.0000 0.0000 45077.0711 -222427.1262 163.9780 -267504.1972 -222054.6429 163.9780 -3838.6209 -2402.0239 921491.4634 -3838.6209 -2402.0239
ENERGY: 411 22931.7999 19651.0977 5689.8740 197.0388 -338354.2245 23140.9048 0.0000 0.0000 44380.5345 -222362.9747 161.4442 -266743.5092 -222056.2116 161.4442 -4745.1588 -2436.8800 921491.4634 -4745.1588 -2436.8800
ENERGY: 412 22535.8948 19878.8222 5694.3233 198.8205 -338356.4975 23146.2938 0.0000 0.0000 44499.5085 -222402.8343 161.8770 -266902.3428 -222068.4599 161.8770 -4717.2136 -2436.3026 921491.4634 -4717.2136 -2436.3026
ENERGY: 413 21130.1415 20138.5251 5699.9333 199.7191 -337872.5321 23125.1118 0.0000 0.0000 45113.2143 -222465.8870 164.1095 -267579.1013 -222055.3453 164.1095 -3850.6267 -2398.9548 921491.4634 -3850.6267 -2398.9548
ENERGY: 414 19987.3856 20381.5509 5705.1134 199.5118 -337122.7802 23094.4560 0.0000 0.0000 45271.6527 -222483.1097 164.6858 -267754.7625 -222052.1624 164.6858 -2501.3241 -2333.9463 921491.4634 -2501.3241 -2333.9463
ENERGY: 415 19745.2667 20572.1263 5708.7451 198.1487 -336456.1979 23071.1993 0.0000 0.0000 44733.2273 -222427.4845 162.7272 -267160.7118 -222049.0346 162.7272 -1174.6452 -2266.5614 921491.4634 -1174.6452 -2266.5614
ENERGY: 416 19942.3170 20661.9900 5710.0857 195.6953 -336157.5867 23063.1716 0.0000 0.0000 44200.2850 -222384.0420 160.7885 -266584.3271 -222052.9644 160.7885 -282.7614 -2224.6896 921491.4634 -282.7614 -2224.6896
ENERGY: 417 20031.3749 20631.3213 5709.0493 192.4696 -336373.1080 23072.1099 0.0000 0.0000 44338.4621 -222398.3209 161.2911 -266736.7830 -222044.6993 161.2911 -112.4554 -2227.1699 921491.4634 -112.4554 -2227.1699
ENERGY: 418 20154.6647 20457.0912 5705.5847 188.6536 -336970.7871 23098.6726 0.0000 0.0000 44915.1425 -222450.9778 163.3889 -267366.1202 -222046.7092 163.3889 -671.8546 -2269.9921 921491.4634 -671.8546 -2269.9921
ENERGY: 419 20790.7631 20185.5525 5700.4810 184.6054 -337717.8759 23139.8023 0.0000 0.0000 45250.3102 -222466.3613 164.6082 -267716.6715 -222049.5950 164.6082 -1783.9421 -2336.6464 921491.4634 -1783.9421 -2336.6464
TIMING: 420 CPU: 198.146, 0.459231/step Wall: 198.146, 0.459231/step, 0.0102051 hours remaining, 3223.902344 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 420 21812.8759 19887.3911 5695.0414 180.6770 -338321.5512 23183.0573 0.0000 0.0000 45121.9779 -222440.5305 164.1414 -267562.5083 -222061.1148 164.1414 -3051.6028 -2402.9273 921491.4634 -3051.6028 -2402.9273
ENERGY: 421 22491.6105 19639.6135 5690.9237 177.2518 -338550.3534 23210.1383 0.0000 0.0000 44931.8964 -222408.9192 163.4499 -267340.8156 -222052.6018 163.4499 -4041.3724 -2452.8635 921491.4634 -4041.3724 -2452.8635
ENERGY: 422 22275.7612 19449.5348 5688.9976 174.4058 -338225.0313 23208.5474 0.0000 0.0000 45004.7088 -222423.0757 163.7148 -267427.7845 -222052.8449 163.7148 -4363.1151 -2465.6373 921491.4634 -4363.1151 -2465.6373
ENERGY: 423 21418.8984 19324.4271 5689.6736 172.2145 -337416.8955 23180.6038 0.0000 0.0000 45183.9717 -222447.1063 164.3669 -267631.0780 -222051.5232 164.3669 -3955.8307 -2434.9306 921491.4634 -3955.8307 -2434.9306
ENERGY: 424 20531.3310 19270.7814 5692.6542 170.6563 -336406.2762 23140.4643 0.0000 0.0000 45151.0461 -222449.3429 164.2471 -267600.3890 -222060.4126 164.2471 -3030.1609 -2370.2033 921491.4634 -3030.1609 -2370.2033
ENERGY: 425 19942.3361 19314.5606 5697.3263 169.6876 -335607.5204 23103.7917 0.0000 0.0000 44956.0484 -222423.7696 163.5377 -267379.8180 -222050.7962 163.5377 -1980.9654 -2297.0090 921491.4634 -1980.9654 -2297.0090
ENERGY: 426 19603.3347 19432.3068 5702.4946 169.0990 -335270.6874 23080.2889 0.0000 0.0000 44862.7389 -222420.4245 163.1983 -267283.1634 -222049.1088 163.1983 -1125.8051 -2237.7214 921491.4634 -1125.8051 -2237.7214
ENERGY: 427 19598.5315 19595.2897 5707.1504 168.7509 -335498.4317 23074.5003 0.0000 0.0000 44915.2780 -222438.9309 163.3894 -267354.2089 -222048.7337 163.3894 -741.9010 -2207.6355 921491.4634 -741.9010 -2207.6355
ENERGY: 428 20140.4228 19760.4169 5710.4628 168.5259 -336199.9852 23087.7673 0.0000 0.0000 44884.2599 -222448.1297 163.2766 -267332.3896 -222058.0549 163.2766 -935.5733 -2206.9585 921491.4634 -935.5733 -2206.9585
ENERGY: 429 21147.3676 19912.0617 5712.1357 168.3557 -337181.5906 23116.4517 0.0000 0.0000 44706.5248 -222418.6934 162.6301 -267125.2182 -222045.4881 162.6301 -1630.8086 -2233.4562 921491.4634 -1630.8086 -2233.4562
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9872 20024.3737 5712.1700 168.1897 -338096.9204 23149.4489 0.0000 0.0000 44626.3104 -222402.4406 162.3383 -267028.7510 -222047.3915 162.3383 -2472.2457 -2268.0466 921491.4634 -2472.2457 -2268.0466
ENERGY: 431 22204.1020 20111.4153 5711.2600 168.0704 -338644.7645 23172.3801 0.0000 0.0000 44858.4635 -222419.0732 163.1828 -267277.5367 -222048.7169 163.1828 -3116.2805 -2293.5592 921491.4634 -3116.2805 -2293.5592
ENERGY: 432 21768.3702 20188.6726 5710.3546 168.1086 -338651.2101 23176.0842 0.0000 0.0000 45177.9913 -222461.6285 164.3451 -267639.6198 -222065.9058 164.3451 -3350.2742 -2296.1498 921491.4634 -3350.2742 -2296.1498
ENERGY: 433 21200.9071 20275.9667 5710.3763 168.4633 -338164.0637 23162.2907 0.0000 0.0000 45192.9285 -222453.1311 164.3995 -267646.0596 -222052.5982 164.3995 -3187.3734 -2272.1277 921491.4634 -3187.3734 -2272.1277
ENERGY: 434 20730.3413 20338.1503 5711.6060 169.3247 -337394.2703 23140.7732 0.0000 0.0000 44883.0996 -222420.9752 163.2724 -267304.0748 -222051.1463 163.2724 -2694.3109 -2227.7886 921491.4634 -2694.3109 -2227.7886
ENERGY: 435 20235.2201 20362.4019 5714.0003 170.8455 -336680.6553 23123.4095 0.0000 0.0000 44675.9837 -222398.7944 162.5189 -267074.7781 -222049.5889 162.5189 -2061.3584 -2179.8952 921491.4634 -2061.3584 -2179.8952
ENERGY: 436 19670.9241 20349.9986 5717.2345 173.0864 -336303.8810 23119.9076 0.0000 0.0000 44847.0981 -222425.6317 163.1414 -267272.7298 -222059.6960 163.1414 -1520.6599 -2145.1617 921491.4634 -1520.6599 -2145.1617
ENERGY: 437 19434.5514 20329.5096 5720.9893 175.9827 -336411.9781 23136.3866 0.0000 0.0000 45159.2684 -222455.2901 164.2770 -267614.5585 -222050.7503 164.2770 -1319.1169 -2134.4848 921491.4634 -1319.1169 -2134.4848
ENERGY: 438 19935.1531 20278.6098 5724.6883 179.3848 -336899.4572 23173.5518 0.0000 0.0000 45148.1319 -222459.9374 164.2365 -267608.0693 -222051.5668 164.2365 -1493.0940 -2145.0880 921491.4634 -1493.0940 -2145.0880
ENERGY: 439 21052.7406 20184.4297 5727.7928 183.0561 -337561.7713 23224.7482 0.0000 0.0000 44760.8206 -222428.1833 162.8276 -267189.0038 -222052.7966 162.8276 -1936.1987 -2169.8746 921491.4634 -1936.1987 -2169.8746
TIMING: 440 CPU: 207.323, 0.458812/step Wall: 207.323, 0.458812/step, 0.00764687 hours remaining, 3223.902344 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5682 20036.2371 5729.7526 186.7202 -338123.1800 23276.2486 0.0000 0.0000 44417.5454 -222405.1079 161.5788 -266822.6534 -222059.4773 161.5788 -2408.4611 -2197.9670 921491.4634 -2408.4611 -2197.9670
ENERGY: 441 22355.5483 19860.0407 5730.3487 190.1146 -338361.1709 23313.2045 0.0000 0.0000 44502.6961 -222409.2179 161.8886 -266911.9140 -222050.0860 161.8886 -2716.1026 -2221.5312 921491.4634 -2716.1026 -2221.5312
ENERGY: 442 21853.6116 19664.5346 5729.4854 192.9412 -338090.1527 23327.1569 0.0000 0.0000 44880.6317 -222441.7914 163.2634 -267322.4231 -222049.7756 163.2634 -2710.5575 -2229.0695 921491.4634 -2710.5575 -2229.0695
ENERGY: 443 21064.3316 19487.0719 5727.6164 194.9329 -337369.3145 23320.0159 0.0000 0.0000 45118.1104 -222457.2355 164.1273 -267575.3458 -222048.5996 164.1273 -2448.1648 -2220.3530 921491.4634 -2448.1648 -2220.3530
ENERGY: 444 20449.3365 19357.2686 5725.4095 195.8735 -336464.1918 23301.5278 0.0000 0.0000 44987.7173 -222447.0587 163.6530 -267434.7760 -222057.9797 163.6530 -2090.2099 -2206.4398 921491.4634 -2090.2099 -2206.4398
ENERGY: 445 20125.5609 19307.2514 5723.6513 195.6942 -335759.3912 23283.8141 0.0000 0.0000 44708.7153 -222414.7041 162.6380 -267123.4193 -222046.5427 162.6380 -1846.9626 -2201.6924 921491.4634 -1846.9626 -2201.6924
ENERGY: 446 19947.6805 19324.9003 5722.5429 194.3235 -335494.5709 23276.0453 0.0000 0.0000 44620.2945 -222408.7838 162.3164 -267029.0783 -222046.1619 162.3164 -1800.7517 -2216.7292 921491.4634 -1800.7517 -2216.7292
ENERGY: 447 19914.2847 19416.0209 5722.2107 191.8642 -335769.4402 23282.7461 0.0000 0.0000 44816.5088 -222425.8049 163.0301 -267242.3137 -222046.8342 163.0301 -1993.3111 -2253.0602 921491.4634 -1993.3111 -2253.0602
ENERGY: 448 20187.5921 19583.6800 5722.5764 188.5554 -336503.1808 23303.8907 0.0000 0.0000 45065.6674 -222451.2187 163.9365 -267516.8861 -222059.3483 163.9365 -2372.1879 -2303.7899 921491.4634 -2372.1879 -2303.7899
ENERGY: 449 20877.4060 19832.6988 5723.5712 184.8596 -337500.9081 23334.5926 0.0000 0.0000 45101.1677 -222446.6121 164.0657 -267547.7798 -222047.7101 164.0657 -2827.1081 -2356.1408 921491.4634 -2827.1081 -2356.1408
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4853 20108.1303 5724.4776 181.0898 -338419.3260 23364.6246 0.0000 0.0000 44854.3096 -222432.2088 163.1677 -267286.5184 -222048.7863 163.1677 -3116.6757 -2394.3897 921491.4634 -3116.6757 -2394.3897
ENERGY: 451 22355.5900 20357.7260 5724.7144 177.6517 -338952.0919 23381.8011 0.0000 0.0000 44542.6986 -222411.9102 162.0341 -266954.6088 -222048.8248 162.0341 -3074.2533 -2405.7798 921491.4634 -3074.2533 -2405.7798
ENERGY: 452 22246.2014 20536.0139 5723.8953 174.8859 -338927.1547 23378.0947 0.0000 0.0000 44452.9194 -222415.1441 161.7075 -266868.0635 -222059.6372 161.7075 -2659.9605 -2384.7567 921491.4634 -2659.9605 -2384.7567
ENERGY: 453 21399.8726 20641.1316 5722.2878 173.1350 -338392.7943 23354.5911 0.0000 0.0000 44683.7029 -222418.0732 162.5470 -267101.7761 -222043.5373 162.5470 -2048.3338 -2342.4667 921491.4634 -2048.3338 -2342.4667
ENERGY: 454 20248.3382 20654.1378 5720.2217 172.3637 -337567.1423 23320.6906 0.0000 0.0000 45008.1460 -222443.2443 163.7273 -267451.3903 -222041.8393 163.7273 -1453.4578 -2293.1449 921491.4634 -1453.4578 -2293.1449
ENERGY: 455 19486.7907 20584.7123 5718.4844 172.5169 -336790.6459 23290.4028 0.0000 0.0000 45086.5783 -222451.1605 164.0126 -267537.7388 -222040.8572 164.0126 -1151.8823 -2255.8570 921491.4634 -1151.8823 -2255.8570
ENERGY: 456 19493.3721 20440.6802 5717.7556 173.4248 -336350.1077 23274.9636 0.0000 0.0000 44811.4720 -222438.4395 163.0118 -267249.9115 -222055.3486 163.0118 -1305.5003 -2245.5822 921491.4634 -1305.5003 -2245.5822
ENERGY: 457 20047.4928 20251.9434 5718.5580 174.9241 -336395.8164 23277.8279 0.0000 0.0000 44521.8699 -222403.2002 161.9583 -266925.0701 -222049.4132 161.9583 -1906.4163 -2263.5011 921491.4634 -1906.4163 -2263.5011
ENERGY: 458 20585.8435 20019.2721 5720.7061 176.6081 -336835.0955 23294.7177 0.0000 0.0000 44632.7882 -222405.1599 162.3618 -267037.9481 -222051.2822 162.3618 -2684.6985 -2301.0426 921491.4634 -2684.6985 -2301.0426
ENERGY: 459 20903.4945 19784.9686 5724.0021 178.1984 -337468.1637 23318.6987 0.0000 0.0000 45113.9361 -222444.8652 164.1121 -267558.8013 -222053.1411 164.1121 -3350.5830 -2341.5795 921491.4634 -3350.5830 -2341.5795
TIMING: 460 CPU: 216.498, 0.458783/step Wall: 216.498, 0.458783/step, 0.00509759 hours remaining, 3223.902344 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6138 19597.9059 5728.0971 179.4910 -338014.3759 23341.8006 0.0000 0.0000 45423.8560 -222480.6115 165.2395 -267904.4675 -222064.6835 165.2395 -3669.8200 -2365.2410 921491.4634 -3669.8200 -2365.2410
ENERGY: 461 21862.8762 19507.1071 5732.5753 180.4333 -338251.6208 23355.3939 0.0000 0.0000 45154.6133 -222458.6218 164.2601 -267613.2351 -222058.0506 164.2601 -3556.1665 -2361.1798 921491.4634 -3556.1665 -2361.1798
ENERGY: 462 22264.2256 19487.8104 5736.4822 180.9531 -337988.7162 23351.1090 0.0000 0.0000 44559.9286 -222408.2073 162.0968 -266968.1359 -222056.7213 162.0968 -2954.8200 -2323.4249 921491.4634 -2954.8200 -2323.4249
ENERGY: 463 21821.1792 19513.9011 5738.9361 181.1160 -337284.1022 23326.9481 0.0000 0.0000 44313.4566 -222388.5651 161.2002 -266702.0217 -222054.6241 161.2002 -2012.4424 -2264.0777 921491.4634 -2012.4424 -2264.0777
ENERGY: 464 20535.2460 19559.9268 5739.2518 181.0096 -336389.3837 23291.1945 0.0000 0.0000 44654.0264 -222428.7285 162.4391 -267082.7549 -222058.5730 162.4391 -1050.9227 -2205.5268 921491.4634 -1050.9227 -2205.5268
ENERGY: 465 19322.7825 19631.8851 5737.2899 180.7155 -335701.1533 23259.7395 0.0000 0.0000 45094.5687 -222474.1721 164.0416 -267568.7408 -222052.9389 164.0416 -512.3346 -2174.4007 921491.4634 -512.3346 -2174.4007
ENERGY: 466 19088.4508 19708.3580 5733.2107 180.2808 -335443.7727 23245.0607 0.0000 0.0000 45020.7909 -222467.6208 163.7733 -267488.4117 -222052.9787 163.7733 -630.3313 -2182.6710 921491.4634 -630.3313 -2182.6710
ENERGY: 467 19841.8069 19783.1743 5727.6704 179.7757 -335721.0955 23249.4533 0.0000 0.0000 44523.6666 -222415.5484 161.9649 -266939.2150 -222054.3496 161.9649 -1393.6028 -2232.5923 921491.4634 -1393.6028 -2232.5923
ENERGY: 468 20761.8482 19845.4944 5721.5089 179.2779 -336451.5672 23265.8129 0.0000 0.0000 44291.6586 -222385.9663 161.1209 -266677.6249 -222056.3591 161.1209 -2508.6714 -2314.1341 921491.4634 -2508.6714 -2314.1341
ENERGY: 469 21236.3016 19910.2025 5715.6824 178.8504 -337458.3210 23284.3965 0.0000 0.0000 44720.3204 -222412.5672 162.6802 -267132.8877 -222046.0750 162.6802 -3596.7406 -2405.7973 921491.4634 -3596.7406 -2405.7973
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1730 19972.8939 5710.9491 178.5947 -338383.2518 23297.0676 0.0000 0.0000 45346.4578 -222466.1157 164.9580 -267812.5735 -222047.6089 164.9580 -4259.6996 -2477.6832 921491.4634 -4259.6996 -2477.6832
ENERGY: 471 21732.8677 20054.6841 5707.9626 178.5890 -338913.2464 23297.5089 0.0000 0.0000 45471.3370 -222470.2971 165.4122 -267941.6341 -222047.5359 165.4122 -4290.5685 -2504.3176 921491.4634 -4290.5685 -2504.3176
ENERGY: 472 22081.2362 20161.5557 5707.0091 178.9047 -338870.6781 23279.4495 0.0000 0.0000 45028.5298 -222433.9931 163.8014 -267462.5229 -222059.5059 163.8014 -3659.7362 -2479.9185 921491.4634 -3659.7362 -2479.9185
ENERGY: 473 21866.1365 20289.3432 5707.9843 179.6165 -338307.7205 23240.7367 0.0000 0.0000 44634.5174 -222389.3860 162.3681 -267023.9034 -222043.8541 162.3681 -2556.3618 -2408.1658 921491.4634 -2556.3618 -2408.1658
ENERGY: 474 20842.9706 20372.0990 5710.2160 180.7466 -337438.4565 23189.2352 0.0000 0.0000 44733.2307 -222409.9583 162.7272 -267143.1890 -222041.2621 162.7272 -1295.5526 -2316.2728 921491.4634 -1295.5526 -2316.2728
ENERGY: 475 19674.2080 20371.7677 5712.9876 182.2512 -336604.2323 23142.3822 0.0000 0.0000 45070.2140 -222450.4218 163.9531 -267520.6358 -222039.4531 163.9531 -344.6449 -2232.2126 921491.4634 -344.6449 -2232.2126
ENERGY: 476 19235.7861 20282.0275 5715.7683 184.0125 -336100.0910 23115.8471 0.0000 0.0000 45106.0634 -222460.5861 164.0835 -267566.6495 -222053.6138 164.0835 -92.4048 -2183.0651 921491.4634 -92.4048 -2183.0651
ENERGY: 477 19704.7249 20145.9812 5718.4976 185.9230 -336101.8792 23114.2944 0.0000 0.0000 44812.3207 -222420.1375 163.0149 -267232.4581 -222044.8411 163.0149 -667.4943 -2171.8226 921491.4634 -667.4943 -2171.8226
ENERGY: 478 20493.4776 19974.7635 5721.0254 187.7262 -336537.4035 23131.2464 0.0000 0.0000 44627.0330 -222402.1315 162.3409 -267029.1644 -222047.4107 162.3409 -1807.1601 -2198.7954 921491.4634 -1807.1601 -2198.7954
ENERGY: 479 21125.3056 19793.3951 5723.3295 189.2099 -337215.5834 23156.6776 0.0000 0.0000 44802.1575 -222425.5083 162.9779 -267227.6658 -222050.5460 162.9779 -3089.8512 -2246.7915 921491.4634 -3089.8512 -2246.7915
TIMING: 480 CPU: 225.671, 0.458616/step Wall: 225.671, 0.458616/step, 0.00254787 hours remaining, 3223.902344 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0323 19623.1959 5725.3111 190.1901 -337854.6780 23181.5122 0.0000 0.0000 45051.6813 -222458.7552 163.8856 -267510.4365 -222064.6211 163.8856 -4077.7324 -2291.4890 921491.4634 -4077.7324 -2291.4890
ENERGY: 481 22092.4852 19510.0427 5727.0952 190.6351 -338199.2475 23196.7962 0.0000 0.0000 45041.3366 -222440.8565 163.8480 -267482.1931 -222052.5267 163.8480 -4466.2393 -2305.6731 921491.4634 -4466.2393 -2305.6731
ENERGY: 482 22186.3468 19466.6788 5728.4964 190.3598 -338044.5413 23192.7477 0.0000 0.0000 44865.8516 -222414.0602 163.2096 -267279.9118 -222051.4114 163.2096 -4059.3098 -2278.0614 921491.4634 -4059.3098 -2278.0614
ENERGY: 483 21553.1416 19511.5740 5729.5660 189.3227 -337426.2182 23165.8743 0.0000 0.0000 44861.8965 -222414.8431 163.1952 -267276.7397 -222048.7674 163.1952 -2964.1723 -2216.4115 921491.4634 -2964.1723 -2216.4115
ENERGY: 484 20460.8927 19631.1935 5730.2465 187.5455 -336590.8881 23126.1353 0.0000 0.0000 45003.6029 -222451.2716 163.7107 -267454.8745 -222059.8741 163.7107 -1565.2425 -2143.1849 921491.4634 -1565.2425 -2143.1849
ENERGY: 485 19688.7721 19800.2989 5730.5256 185.2458 -335902.5864 23092.8472 0.0000 0.0000 44955.5724 -222449.3244 163.5360 -267404.8969 -222045.9604 163.5360 -422.1569 -2086.8735 921491.4634 -422.1569 -2086.8735
ENERGY: 486 19602.5426 19954.8175 5729.7197 182.4662 -335612.3566 23080.3809 0.0000 0.0000 44645.9116 -222416.5180 162.4096 -267062.4297 -222044.6759 162.4096 87.3181 -2070.0982 921491.4634 87.3181 -2070.0982
ENERGY: 487 19881.0925 20072.0213 5727.4347 179.4360 -335846.4481 23091.0545 0.0000 0.0000 44503.3493 -222392.0598 161.8910 -266895.4090 -222045.2405 161.8910 -192.2345 -2106.8840 921491.4634 -192.2345 -2106.8840
ENERGY: 488 20125.2098 20156.1363 5723.5441 176.4338 -336552.5454 23118.8617 0.0000 0.0000 44827.0556 -222425.3042 163.0685 -267252.3598 -222057.1939 163.0685 -1145.7533 -2194.6680 921491.4634 -1145.7533 -2194.6680
ENERGY: 489 20526.8870 20236.4611 5718.5748 173.8639 -337540.4657 23156.7310 0.0000 0.0000 45266.1005 -222461.8473 164.6656 -267727.9478 -222045.6086 164.6656 -2511.2403 -2316.7067 921491.4634 -2511.2403 -2316.7067
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7487 20292.9025 5712.8912 171.8438 -338458.1363 23196.4877 0.0000 0.0000 45213.5630 -222459.6994 164.4745 -267673.2624 -222048.2208 164.4745 -3823.4038 -2437.4155 921491.4634 -3823.4038 -2437.4155
ENERGY: 491 22430.4639 20312.1365 5707.3795 170.5404 -338984.5797 23226.0936 0.0000 0.0000 44733.0090 -222404.9569 162.7264 -267137.9658 -222049.4639 162.7264 -4629.6935 -2524.6216 921491.4634 -4629.6935 -2524.6216
ENERGY: 492 22612.9548 20289.6815 5702.9944 170.0208 -338937.5820 23232.7204 0.0000 0.0000 44542.1950 -222387.0151 162.0323 -266929.2101 -222060.3861 162.0323 -4606.8525 -2557.4730 921491.4634 -4606.8525 -2557.4730
ENERGY: 493 21558.2189 20260.7379 5700.7779 170.3201 -338358.0637 23214.0535 0.0000 0.0000 45033.8228 -222420.1327 163.8207 -267453.9555 -222046.5901 163.8207 -3796.3821 -2540.0997 921491.4634 -3796.3821 -2540.0997
ENERGY: 494 20068.3366 20225.0265 5700.9806 171.2193 -337454.3838 23183.0793 0.0000 0.0000 45622.2474 -222483.4940 165.9612 -268105.7414 -222044.0868 165.9612 -2500.8994 -2482.1069 921491.4634 -2500.8994 -2482.1069
ENERGY: 495 19383.2462 20186.8304 5703.5926 172.5416 -336566.9887 23159.4623 0.0000 0.0000 45484.1230 -222477.1926 165.4587 -267961.3156 -222041.5564 165.4587 -1249.6839 -2407.3057 921491.4634 -1249.6839 -2407.3057
ENERGY: 496 19722.4833 20130.6474 5708.0350 174.0933 -335998.7153 23154.2633 0.0000 0.0000 44699.5269 -222409.6659 162.6046 -267109.1928 -222049.0670 162.6046 -478.8999 -2343.4752 921491.4634 -478.8999 -2343.4752
ENERGY: 497 20212.6669 20059.9176 5713.4613 175.7242 -335952.5038 23166.3543 0.0000 0.0000 44261.0286 -222363.3510 161.0095 -266624.3796 -222042.7500 161.0095 -421.0233 -2316.7929 921491.4634 -421.0233 -2316.7929
ENERGY: 498 20182.0166 19957.1213 5718.5597 177.2604 -336366.4927 23189.3583 0.0000 0.0000 44728.2532 -222413.9233 162.7091 -267142.1765 -222044.5219 162.7091 -993.4680 -2331.6474 921491.4634 -993.4680 -2331.6474
ENERGY: 499 20158.0679 19847.7305 5722.4090 178.6361 -337058.4818 23219.2402 0.0000 0.0000 45439.2643 -222493.1339 165.2956 -267932.3982 -222047.2062 165.2956 -2020.8688 -2376.3392 921491.4634 -2020.8688 -2376.3392
Info: Benchmark time: 4 CPUs 0.458005 s/step 5.30098 days/ns 3223.9 MB memory
TIMING: 500 CPU: 234.762, 0.454587/step Wall: 234.762, 0.454587/step, 0 hours remaining, 3223.902344 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8937 19756.6579 5724.4523 179.8271 -337741.4186 23251.1006 0.0000 0.0000 45359.0778 -222495.4092 165.0039 -267854.4870 -222061.0910 165.0039 -3197.5168 -2425.4143 921491.4634 -3197.5168 -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, 3229.352 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.352 MB of memory in use
====================================================
WallClock: 241.598923 CPUTime: 241.598923 Memory: 3229.351562 MB
[Partition 0][Node 0] End of program
Application 1110600 resources: utime ~949s, stime ~19s, Rss ~126768, inblocks ~66552, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.598923
CPU=241.598923
MEM=3229.351562
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 16 14:51 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 16 14:51 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 16 14:51 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 16 14:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189468 Dec 16 14:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 16 14:45 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 16 14:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 16 14:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 16 14:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 16 14:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 16 14:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 16 14:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 16 14:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 16 14:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 16 14:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 16 14:21 retest
drwxr-xr-x 12 bwjenkins BW_System 4096 Sep 8 2010 tcl8.5.9
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins14842687735203512956.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}
