Skipping 713 KB..
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 54.4501
LDB: Largest compute 200 load 0.430127 is 1.2% of average load 36.783775
LDB: Average compute 0.051522 is 0.1% of average load 36.783775
LDB: Partitioning computes with target load 3.678378
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055921
LDB: ============== END OF LOAD BALANCING =============== 54.4522
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.4531
Info: Initial time: 4 CPUs 0.473658 s/step 5.48215 days/ns 3221.55 MB memory
TIMING: 100 CPU: 48.3394, 0.472607/step Wall: 48.3394, 0.472607/step, 0.0525119 hours remaining, 3221.554688 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
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 63.8912
LDB: ============== END OF LOAD BALANCING =============== 63.8913
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.8918
TIMING: 120 CPU: 57.7777, 0.471915/step Wall: 57.7777, 0.471915/step, 0.0498133 hours remaining, 3221.703125 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
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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 18898.7761 5736.4508 185.0194 -334776.0135 21118.0423 0.0000 0.0000 44811.1497 -222472.9666 163.0106 -267284.1162 -222216.5363 163.0106 -5536.0555 -2842.3154 921491.4634 -5536.0555 -2842.3154
ENERGY: 131 21530.9956 19804.6627 5745.0872 187.0957 -335083.2642 21105.7069 0.0000 0.0000 44221.5103 -222488.2058 160.8657 -266709.7161 -222215.1803 160.8657 -5164.7863 -2872.9597 921491.4634 -5164.7863 -2872.9597
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ENERGY: 133 21569.7010 21939.4305 5759.4053 191.1377 -334187.7138 21049.8506 0.0000 0.0000 41346.5715 -222331.6171 150.4075 -263678.1886 -222209.0242 150.4075 -2436.6192 -2806.2333 921491.4634 -2436.6192 -2806.2333
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ENERGY: 136 18381.4540 21453.0792 5750.0867 193.4037 -332655.7489 21006.3295 0.0000 0.0000 43348.3540 -222523.0419 157.6894 -265871.3959 -222211.0694 157.6894 198.1850 -2776.3543 921491.4634 198.1850 -2776.3543
ENERGY: 137 19975.5716 20347.8313 5740.3098 193.2572 -332832.5920 21040.1067 0.0000 0.0000 43092.4469 -222443.0684 156.7585 -265535.5153 -222209.8939 156.7585 -927.2503 -2841.0685 921491.4634 -927.2503 -2841.0685
ENERGY: 138 21874.8525 19195.4801 5730.8549 192.8766 -333203.4345 21083.5324 0.0000 0.0000 42784.9639 -222340.8740 155.6399 -265125.8379 -222213.1816 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
ENERGY: 139 22116.0296 18330.1124 5724.2506 192.4679 -333575.3364 21115.6333 0.0000 0.0000 43705.6789 -222391.1637 158.9892 -266096.8425 -222217.3489 158.9892 -4443.4108 -3015.1528 921491.4634 -4443.4108 -3015.1528
TIMING: 140 CPU: 67.2065, 0.471437/step Wall: 67.2065, 0.471437/step, 0.0471437 hours remaining, 3221.890625 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 140 20992.5977 17997.1577 5722.1741 192.2140 -333726.9442 21127.4061 0.0000 0.0000 45144.2514 -222551.1433 164.2224 -267695.3946 -222224.0361 164.2224 -5617.7627 -3080.3638 921491.4634 -5617.7627 -3080.3638
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 160 CPU: 76.6239, 0.470872/step Wall: 76.6239, 0.470872/step, 0.0444712 hours remaining, 3222.046875 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 160 21093.2843 18859.3045 5717.0749 174.4916 -333735.9153 20833.5472 0.0000 0.0000 44515.8597 -222542.3531 161.9365 -267058.2128 -222175.6784 161.9365 -3202.8705 -2752.7603 921491.4634 -3202.8705 -2752.7603
ENERGY: 161 21561.6002 18685.5959 5704.9782 178.2042 -333710.7596 20865.7133 0.0000 0.0000 44220.7113 -222493.9565 160.8628 -266714.6678 -222160.9736 160.8628 -4385.1102 -2823.4851 921491.4634 -4385.1102 -2823.4851
ENERGY: 162 22512.8126 18508.1493 5697.2826 183.0024 -333202.6495 20887.8857 0.0000 0.0000 43070.6067 -222342.9102 156.6790 -265413.5169 -222161.4905 156.6790 -5004.1554 -2859.8870 921491.4634 -5004.1554 -2859.8870
ENERGY: 163 21937.9853 18346.8657 5696.1509 188.4544 -332368.8223 20884.6196 0.0000 0.0000 43005.6961 -222309.0503 156.4429 -265314.7464 -222160.7799 156.4429 -4776.8219 -2868.7270 921491.4634 -4776.8219 -2868.7270
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ENERGY: 168 21619.4182 19999.6890 5775.3367 206.4584 -333382.4928 20963.4338 0.0000 0.0000 42492.3350 -222325.8217 154.5754 -264818.1567 -222149.7707 154.5754 -1735.9905 -2933.5976 921491.4634 -1735.9905 -2933.5976
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 176 19195.1039 18891.7628 5743.5896 160.0071 -332124.2127 20943.2095 0.0000 0.0000 44722.5121 -222468.0277 162.6882 -267190.5399 -222127.3369 162.6882 -2658.3221 -2727.5044 921491.4634 -2658.3221 -2727.5044
ENERGY: 177 21863.3196 18664.1734 5738.9484 156.2659 -332371.2411 20981.6518 0.0000 0.0000 42714.2625 -222252.6195 155.3827 -264966.8820 -222125.5136 155.3827 -2870.6847 -2681.8090 921491.4634 -2870.6847 -2681.8090
ENERGY: 178 21917.7901 18733.9558 5737.6245 154.5770 -332975.2975 21015.2132 0.0000 0.0000 43101.1545 -222314.9824 156.7902 -265416.1369 -222126.1321 156.7902 -2936.2257 -2665.7683 921491.4634 -2936.2257 -2665.7683
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TIMING: 180 CPU: 86.0309, 0.470351/step Wall: 86.0309, 0.470351/step, 0.0418089 hours remaining, 3222.187500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 184 18376.8755 19424.9916 5710.5468 174.1845 -332181.9082 21042.4479 0.0000 0.0000 44880.5528 -222572.3092 163.2631 -267452.8619 -222144.6143 163.2631 -1576.6176 -2645.2275 921491.4634 -1576.6176 -2645.2275
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ENERGY: 186 19266.0406 19234.9571 5686.4352 181.9571 -332240.0939 21043.7459 0.0000 0.0000 44391.5887 -222435.3692 161.4844 -266826.9579 -222129.2889 161.4844 -2596.4733 -2731.4264 921491.4634 -2596.4733 -2731.4264
ENERGY: 187 22073.2968 19471.4304 5678.7398 184.6336 -333156.1128 21076.9264 0.0000 0.0000 42449.0055 -222222.0802 154.4178 -264671.0857 -222130.9081 154.4178 -3641.8537 -2802.0867 921491.4634 -3641.8537 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 197 21700.3671 19122.7579 5714.1451 184.7200 -332668.2731 21129.4587 0.0000 0.0000 42574.3655 -222242.4588 154.8738 -264816.8243 -222086.7180 154.8738 -3040.7437 -2596.5494 921491.4634 -3040.7437 -2596.5494
ENERGY: 198 21224.0061 18800.3005 5711.3574 186.3640 -333385.4998 21161.1533 0.0000 0.0000 43911.2864 -222391.0321 159.7372 -266302.3185 -222090.4392 159.7372 -4381.6809 -2646.7680 921491.4634 -4381.6809 -2646.7680
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LDB: ============= START OF LOAD BALANCING ============== 101.553
LDB: Largest compute 200 load 0.425873 is 1.2% of average load 36.600994
LDB: Average compute 0.051258 is 0.1% of average load 36.600994
LDB: TIME 101.554 LOAD: AVG 36.601 MAX 37.6607 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.53 MB
LDB: TIME 101.557 LOAD: AVG 36.601 MAX 37.5506 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.53 MB
LDB: ============== END OF LOAD BALANCING =============== 101.559
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.562
Info: Initial time: 4 CPUs 0.470954 s/step 5.45086 days/ns 3224.02 MB memory
TIMING: 200 CPU: 95.4448, 0.470693/step Wall: 95.4448, 0.470693/step, 0.0392244 hours remaining, 3224.015625 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6837 18595.6350 5711.8747 190.0258 -334670.2811 21209.9247 0.0000 0.0000 45319.1601 -222569.9771 164.8586 -267889.1373 -222114.5244 164.8586 -5241.8526 -2703.6813 921491.4634 -5241.8526 -2703.6813
ENERGY: 201 23380.1030 18674.3334 5716.2802 191.4189 -334751.7131 21239.1339 0.0000 0.0000 43222.4695 -222327.9742 157.2315 -265550.4437 -222100.1078 157.2315 -4546.2005 -2661.1901 921491.4634 -4546.2005 -2661.1901
ENERGY: 202 23622.8116 18850.8451 5722.5980 192.1474 -334305.3006 21243.2751 0.0000 0.0000 42432.5588 -222241.0646 154.3580 -264673.6234 -222096.8290 154.3580 -3005.0519 -2588.0014 921491.4634 -3005.0519 -2588.0014
ENERGY: 203 20743.8945 19130.0391 5729.2400 192.0764 -333501.9372 21215.8253 0.0000 0.0000 44059.6987 -222431.1634 160.2771 -266490.8620 -222093.6426 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
ENERGY: 204 17862.6123 19486.9557 5734.1463 191.2124 -332722.2199 21188.8402 0.0000 0.0000 45629.4720 -222628.9809 165.9875 -268258.4529 -222116.7001 165.9875 452.9933 -2462.2929 921491.4634 452.9933 -2462.2929
ENERGY: 205 18189.0791 19868.9415 5735.7153 189.6741 -332398.2550 21197.9184 0.0000 0.0000 44690.7149 -222526.2117 162.5725 -267216.9266 -222099.8061 162.5725 731.8535 -2447.6353 921491.4634 731.8535 -2447.6353
ENERGY: 206 20668.8902 20170.9987 5732.9811 187.6404 -332716.3434 21241.8390 0.0000 0.0000 42439.0584 -222274.9356 154.3816 -264713.9940 -222100.3397 154.3816 -230.6569 -2488.2937 921491.4634 -230.6569 -2488.2937
ENERGY: 207 21693.8033 20338.2891 5726.5434 185.3060 -333603.9791 21289.9000 0.0000 0.0000 42143.6913 -222226.4459 153.3072 -264370.1372 -222103.0932 153.3072 -1896.3479 -2585.9683 921491.4634 -1896.3479 -2585.9683
ENERGY: 208 20293.2704 20371.8904 5718.1572 182.8654 -334789.2376 21322.2409 0.0000 0.0000 44428.6270 -222472.1864 161.6191 -266900.8134 -222122.6313 161.6191 -3669.0643 -2719.7952 921491.4634 -3669.0643 -2719.7952
ENERGY: 209 19428.8171 20325.0059 5710.3389 180.5135 -335910.2412 21349.5043 0.0000 0.0000 46273.6801 -222642.3814 168.3309 -268916.0615 -222106.7899 168.3309 -5197.7275 -2836.6306 921491.4634 -5197.7275 -2836.6306
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1735 20194.2569 5705.3139 178.4614 -336615.7766 21385.1094 0.0000 0.0000 45251.4334 -222516.0281 164.6123 -267767.4614 -222108.2015 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
ENERGY: 211 24099.1929 19985.8632 5704.9373 176.9105 -336667.8925 21415.1476 0.0000 0.0000 43031.7284 -222254.1127 156.5376 -265285.8412 -222106.8540 156.5376 -5900.2978 -2885.1010 921491.4634 -5900.2978 -2885.1010
ENERGY: 212 23739.2709 19730.8222 5710.0295 176.0352 -336013.6223 21412.5981 0.0000 0.0000 42995.1637 -222249.7026 156.4046 -265244.8663 -222104.2318 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2159 19524.5248 5720.1722 175.9508 -334874.6439 21380.5550 0.0000 0.0000 45418.7805 -222504.4447 165.2210 -267923.2252 -222097.3834 165.2210 -2174.3117 -2725.0841 921491.4634 -2174.3117 -2725.0841
ENERGY: 214 17315.5528 19421.7447 5733.3059 176.6827 -333645.3932 21358.4484 0.0000 0.0000 46958.4702 -222681.1885 170.8220 -269639.6587 -222093.7407 170.8220 -143.6684 -2626.0578 921491.4634 -143.6684 -2626.0578
ENERGY: 215 18210.5055 19441.9743 5746.5772 178.1492 -332787.3319 21379.5595 0.0000 0.0000 45302.6746 -222527.8916 164.7987 -267830.5662 -222091.0447 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4717 19522.5061 5756.9571 180.1770 -332560.1061 21436.4834 0.0000 0.0000 42442.1787 -222248.3319 154.3930 -264690.5106 -222073.6157 154.3930 420.9901 -2541.5428 921491.4634 420.9901 -2541.5428
ENERGY: 217 21778.3868 19581.4820 5762.2416 182.5517 -333010.6758 21497.2704 0.0000 0.0000 41983.6750 -222225.0684 152.7251 -264208.7434 -222064.4466 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9158 19540.0891 5761.2415 184.9927 -333856.1148 21546.6560 0.0000 0.0000 44178.6836 -222478.5362 160.7099 -266657.2198 -222068.8156 160.7099 -2628.0653 -2703.9747 921491.4634 -2628.0653 -2703.9747
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TIMING: 220 CPU: 104.863, 0.470907/step Wall: 104.863, 0.470907/step, 0.0366261 hours remaining, 3224.015625 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
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 240 CPU: 114.272, 0.470434/step Wall: 114.272, 0.470434/step, 0.0339758 hours remaining, 3224.015625 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
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ENERGY: 242 22110.7716 20111.8209 5758.5348 169.0441 -335904.8194 21831.0565 0.0000 0.0000 43526.8719 -222396.7196 158.3388 -265923.5914 -222063.5736 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
ENERGY: 243 19462.3620 19969.6445 5749.3614 168.8705 -335233.7066 21770.4746 0.0000 0.0000 45537.0689 -222575.9246 165.6513 -268112.9935 -222061.6674 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
ENERGY: 244 18822.2464 19849.3934 5737.4544 169.6534 -334482.6006 21720.5674 0.0000 0.0000 45629.1662 -222554.1194 165.9864 -268183.2856 -222078.7770 165.9864 -2667.7298 -2573.2150 921491.4634 -2667.7298 -2573.2150
ENERGY: 245 20148.2368 19811.7600 5725.7784 171.4559 -334087.5943 21701.2468 0.0000 0.0000 44168.5247 -222360.5917 160.6730 -266529.1164 -222068.6365 160.6730 -1771.6901 -2533.5455 921491.4634 -1771.6901 -2533.5455
ENERGY: 246 20878.5481 19853.7025 5716.8932 174.1558 -334213.1203 21705.0848 0.0000 0.0000 43600.4181 -222284.3177 158.6063 -265884.7358 -222067.4295 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5287 19979.6441 5712.7400 177.5412 -334802.1839 21719.8452 0.0000 0.0000 44912.1910 -222431.6936 163.3782 -267343.8847 -222068.1393 163.3782 -983.0001 -2552.5931 921491.4634 -983.0001 -2552.5931
ENERGY: 248 19035.4925 20164.4297 5713.8450 181.3144 -335623.1352 21746.4309 0.0000 0.0000 46185.9361 -222595.6867 168.0117 -268781.6227 -222090.3128 168.0117 -1359.1247 -2608.3066 921491.4634 -1359.1247 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9042 20013.1597 5733.2541 193.8023 -336093.2673 21826.9293 0.0000 0.0000 43905.3720 -222425.8456 159.7157 -266331.2177 -222091.3305 159.7157 -3843.4681 -2758.0339 921491.4634 -3843.4681 -2758.0339
ENERGY: 253 19499.8637 19667.1120 5729.5496 195.2411 -334977.1803 21784.0534 0.0000 0.0000 45520.0192 -222581.3412 165.5893 -268101.3604 -222082.7206 165.5893 -3300.1272 -2735.8132 921491.4634 -3300.1272 -2735.8132
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ENERGY: 255 20324.2311 19109.4101 5707.6062 196.0620 -333099.9229 21746.1513 0.0000 0.0000 43667.4212 -222349.0411 158.8501 -266016.4622 -222078.3976 158.8501 -2282.5424 -2662.7814 921491.4634 -2282.5424 -2662.7814
ENERGY: 256 20899.4410 18950.9577 5693.4518 195.6570 -332975.5969 21757.6846 0.0000 0.0000 43181.1611 -222297.2437 157.0812 -265478.4049 -222071.2739 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5654 18878.1873 5681.1759 194.7976 -333481.0036 21780.2417 0.0000 0.0000 44488.5468 -222428.4890 161.8371 -266917.0358 -222060.1683 161.8371 -2035.5363 -2692.1442 921491.4634 -2035.5363 -2692.1442
ENERGY: 258 19453.5867 18882.0666 5673.2911 193.6684 -334373.1542 21817.5076 0.0000 0.0000 45796.2578 -222556.7761 166.5942 -268353.0339 -222062.0607 166.5942 -2331.2329 -2737.1920 921491.4634 -2331.2329 -2737.1920
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TIMING: 260 CPU: 123.673, 0.470068/step Wall: 123.673, 0.470068/step, 0.0313379 hours remaining, 3224.320312 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
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ENERGY: 263 19781.1228 20140.5623 5703.8103 187.9445 -335614.9712 21924.4738 0.0000 0.0000 45349.7771 -222527.2805 164.9700 -267877.0576 -222051.1548 164.9700 -2647.8114 -2773.3903 921491.4634 -2647.8114 -2773.3903
ENERGY: 264 19385.2259 20436.4306 5710.6950 187.5052 -334855.9508 21907.7770 0.0000 0.0000 44751.4783 -222476.8387 162.7936 -267228.3170 -222069.1982 162.7936 -2191.1926 -2723.5294 921491.4634 -2191.1926 -2723.5294
ENERGY: 265 19946.8415 20681.9926 5713.6241 187.4392 -334395.6629 21906.0161 0.0000 0.0000 43607.6374 -222352.1119 158.6326 -265959.7493 -222054.3370 158.6326 -2038.0573 -2683.6035 921491.4634 -2038.0573 -2683.6035
ENERGY: 266 20048.7899 20788.8701 5712.1327 187.6137 -334399.4574 21914.4803 0.0000 0.0000 43399.3796 -222348.1910 157.8750 -265747.5707 -222054.3633 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0906 20691.2678 5707.0583 187.8501 -334831.4852 21930.8372 0.0000 0.0000 44220.2168 -222446.1644 160.8610 -266666.3812 -222055.6583 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9161 20375.7515 5700.1930 187.9286 -335513.7447 21959.1255 0.0000 0.0000 44823.5378 -222504.2924 163.0557 -267327.8301 -222075.9874 163.0557 -2903.2126 -2658.6181 921491.4634 -2903.2126 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1933 19450.9165 5690.3173 187.1618 -336650.6772 22028.8068 0.0000 0.0000 44308.0076 -222365.2737 161.1804 -266673.2814 -222067.0433 161.1804 -3583.3635 -2617.7583 921491.4634 -3583.3635 -2617.7583
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ENERGY: 272 21021.5584 18896.0660 5692.8269 184.9335 -335921.4611 22015.0578 0.0000 0.0000 45607.7077 -222503.3109 165.9083 -268111.0186 -222081.1570 165.9083 -2551.9684 -2501.8805 921491.4634 -2551.9684 -2501.8805
ENERGY: 273 20123.2136 18932.9080 5697.5118 183.8526 -334925.7008 21985.5294 0.0000 0.0000 45502.7162 -222499.9694 165.5264 -268002.6855 -222069.0457 165.5264 -1837.1976 -2434.6761 921491.4634 -1837.1976 -2434.6761
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ENERGY: 276 19401.8502 19594.7508 5701.2547 182.4904 -333292.1279 21971.0407 0.0000 0.0000 44028.5272 -222412.2139 160.1637 -266440.7411 -222072.9393 160.1637 -1580.1301 -2417.6041 921491.4634 -1580.1301 -2417.6041
ENERGY: 277 19149.2972 19724.7160 5695.5210 182.9396 -333864.3452 21997.2384 0.0000 0.0000 44632.8113 -222481.8217 162.3619 -267114.6329 -222061.0987 162.3619 -2311.7545 -2498.0546 921491.4634 -2311.7545 -2498.0546
ENERGY: 278 20199.4577 19713.7760 5686.9122 183.6585 -334821.1002 22041.3356 0.0000 0.0000 44532.2542 -222463.7060 161.9961 -266995.9603 -222063.4130 161.9961 -3254.8158 -2593.7697 921491.4634 -3254.8158 -2593.7697
ENERGY: 279 21984.3650 19593.9431 5677.5176 184.5187 -335888.5800 22096.4196 0.0000 0.0000 43975.0883 -222376.7278 159.9693 -266351.8161 -222065.2023 159.9693 -4044.3214 -2682.8390 921491.4634 -4044.3214 -2682.8390
TIMING: 280 CPU: 133.056, 0.469143/step Wall: 133.056, 0.469143/step, 0.0286698 hours remaining, 3224.320312 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
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ENERGY: 282 20943.7899 19615.5380 5669.9796 186.8360 -336942.5033 22176.7651 0.0000 0.0000 45823.3372 -222526.2576 166.6927 -268349.5948 -222063.3314 166.6927 -2992.3272 -2779.3669 921491.4634 -2992.3272 -2779.3669
ENERGY: 283 20432.1061 19966.6616 5678.8137 187.1634 -336251.9199 22171.0645 0.0000 0.0000 45328.8522 -222487.2585 164.8939 -267816.1107 -222060.8458 164.8939 -2008.7737 -2748.2307 921491.4634 -2008.7737 -2748.2307
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ENERGY: 286 19396.6310 20966.5622 5721.5031 185.8230 -334658.1148 22176.6860 0.0000 0.0000 43785.6883 -222425.2212 159.2803 -266210.9095 -222054.0582 159.2803 -1306.7503 -2717.2848 921491.4634 -1306.7503 -2717.2848
ENERGY: 287 19176.1192 20856.7822 5731.9346 184.4714 -334918.1480 22200.2907 0.0000 0.0000 44282.9440 -222485.6059 161.0892 -266768.5499 -222055.7253 161.0892 -2148.9613 -2753.3345 921491.4634 -2148.9613 -2753.3345
ENERGY: 288 20263.2089 20475.2849 5736.9557 182.7335 -335468.3148 22237.9034 0.0000 0.0000 44116.9908 -222455.2375 160.4855 -266572.2283 -222066.9053 160.4855 -3310.5880 -2790.1554 921491.4634 -3310.5880 -2790.1554
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 148.57
LDB: Largest compute 200 load 0.520040 is 1.1% of average load 45.722779
LDB: Average compute 0.064047 is 0.1% of average load 45.722779
LDB: TIME 148.572 LOAD: AVG 45.7228 MAX 47.0089 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.52 MB
LDB: TIME 148.573 LOAD: AVG 45.7228 MAX 47.0089 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.52 MB
LDB: TIME 148.586 LOAD: AVG 45.7228 MAX 46.2393 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.52 MB
LDB: ============== END OF LOAD BALANCING =============== 148.587
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.588
Info: Initial time: 4 CPUs 0.469753 s/step 5.43696 days/ns 3224.52 MB memory
TIMING: 300 CPU: 142.438, 0.469112/step Wall: 142.438, 0.469112/step, 0.0260618 hours remaining, 3224.519531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 320 CPU: 151.657, 0.460968/step Wall: 151.657, 0.460968/step, 0.0230484 hours remaining, 3224.519531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 340 CPU: 160.869, 0.460597/step Wall: 160.869, 0.460597/step, 0.020471 hours remaining, 3224.519531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 360 CPU: 170.078, 0.460407/step Wall: 170.078, 0.460407/step, 0.0179047 hours remaining, 3224.519531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 380 CPU: 179.281, 0.460195/step Wall: 179.281, 0.460195/step, 0.0153398 hours remaining, 3224.519531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 385 19327.8180 19356.8911 5707.7751 177.4354 -335210.6400 22871.6142 0.0000 0.0000 45299.7170 -222469.3890 164.7879 -267769.1060 -222051.0994 164.7879 215.3514 -2064.3637 921491.4634 215.3514 -2064.3637
ENERGY: 386 19981.2272 19220.9465 5707.6637 175.9384 -334865.1817 22880.7957 0.0000 0.0000 44519.8586 -222378.7516 161.9510 -266898.6102 -222051.0438 161.9510 122.6669 -2011.2428 921491.4634 122.6669 -2011.2428
ENERGY: 387 20367.2859 19202.4845 5710.9354 174.6759 -335109.8727 22905.2743 0.0000 0.0000 44377.1816 -222372.0350 161.4320 -266749.2166 -222053.0050 161.4320 -738.9584 -2019.1689 921491.4634 -738.9584 -2019.1689
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 194.635
LDB: Largest compute 230 load 0.523983 is 1.1% of average load 45.651248
LDB: Average compute 0.063922 is 0.1% of average load 45.651248
LDB: TIME 194.637 LOAD: AVG 45.6512 MAX 46.047 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.52 MB
LDB: TIME 194.638 LOAD: AVG 45.6512 MAX 46.047 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.52 MB
LDB: TIME 194.638 LOAD: AVG 45.6512 MAX 46.047 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.52 MB
LDB: ============== END OF LOAD BALANCING =============== 194.638
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.639
Info: Benchmark time: 4 CPUs 0.460405 s/step 5.32876 days/ns 3224.52 MB memory
TIMING: 400 CPU: 188.483, 0.460064/step Wall: 188.483, 0.460064/step, 0.0127796 hours remaining, 3224.519531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 403 20784.9695 19778.4827 5715.7218 174.2695 -337239.9786 23077.8409 0.0000 0.0000 45225.5958 -222483.0984 164.5183 -267708.6942 -222046.6854 164.5183 -3613.5976 -2605.7426 921491.4634 -3613.5976 -2605.7426
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ENERGY: 409 20350.1189 19376.4606 5688.4775 191.1593 -336896.6850 23057.9930 0.0000 0.0000 45733.6055 -222498.8703 166.3663 -268232.4757 -222051.6704 166.3663 -2367.4919 -2346.9323 921491.4634 -2367.4919 -2346.9323
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 415 19745.2665 20572.1261 5708.7452 198.1487 -336456.1972 23071.1996 0.0000 0.0000 44733.2268 -222427.4844 162.7272 -267160.7112 -222049.0345 162.7272 -1174.6450 -2266.5614 921491.4634 -1174.6450 -2266.5614
ENERGY: 416 19942.3168 20661.9897 5710.0857 195.6953 -336157.5861 23063.1719 0.0000 0.0000 44200.2846 -222384.0421 160.7885 -266584.3268 -222052.9644 160.7885 -282.7611 -2224.6896 921491.4634 -282.7611 -2224.6896
ENERGY: 417 20031.3748 20631.3209 5709.0493 192.4696 -336373.1075 23072.1101 0.0000 0.0000 44338.4617 -222398.3209 161.2911 -266736.7827 -222044.6993 161.2911 -112.4552 -2227.1699 921491.4634 -112.4552 -2227.1699
ENERGY: 418 20154.6648 20457.0909 5705.5847 188.6536 -336970.7868 23098.6728 0.0000 0.0000 44915.1421 -222450.9778 163.3889 -267366.1200 -222046.7093 163.3889 -671.8546 -2269.9922 921491.4634 -671.8546 -2269.9922
ENERGY: 419 20790.7633 20185.5523 5700.4810 184.6054 -337717.8757 23139.8024 0.0000 0.0000 45250.3098 -222466.3613 164.6082 -267716.6712 -222049.5950 164.6082 -1783.9423 -2336.6465 921491.4634 -1783.9423 -2336.6465
TIMING: 420 CPU: 197.66, 0.458852/step Wall: 197.66, 0.458852/step, 0.0101967 hours remaining, 3224.519531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 426 19603.3345 19432.3066 5702.4947 169.0990 -335270.6872 23080.2888 0.0000 0.0000 44862.7389 -222420.4247 163.1983 -267283.1637 -222049.1090 163.1983 -1125.8051 -2237.7217 921491.4634 -1125.8051 -2237.7217
ENERGY: 427 19598.5314 19595.2895 5707.1504 168.7509 -335498.4318 23074.5002 0.0000 0.0000 44915.2782 -222438.9311 163.3894 -267354.2093 -222048.7339 163.3894 -741.9010 -2207.6357 921491.4634 -741.9010 -2207.6357
ENERGY: 428 20140.4229 19760.4168 5710.4628 168.5259 -336199.9855 23087.7672 0.0000 0.0000 44884.2601 -222448.1298 163.2766 -267332.3899 -222058.0551 163.2766 -935.5736 -2206.9588 921491.4634 -935.5736 -2206.9588
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 432 21768.3703 20188.6727 5710.3546 168.1086 -338651.2102 23176.0839 0.0000 0.0000 45177.9916 -222461.6284 164.3451 -267639.6201 -222065.9057 164.3451 -3350.2745 -2296.1500 921491.4634 -3350.2745 -2296.1500
ENERGY: 433 21200.9071 20275.9666 5710.3763 168.4633 -338164.0636 23162.2904 0.0000 0.0000 45192.9289 -222453.1310 164.3995 -267646.0600 -222052.5981 164.3995 -3187.3735 -2272.1278 921491.4634 -3187.3735 -2272.1278
ENERGY: 434 20730.3412 20338.1501 5711.6061 169.3247 -337394.2701 23140.7728 0.0000 0.0000 44883.1001 -222420.9751 163.2724 -267304.0752 -222051.1461 163.2724 -2694.3108 -2227.7887 921491.4634 -2694.3108 -2227.7887
ENERGY: 435 20235.2200 20362.4016 5714.0003 170.8455 -336680.6550 23123.4090 0.0000 0.0000 44675.9843 -222398.7943 162.5190 -267074.7786 -222049.5888 162.5190 -2061.3581 -2179.8953 921491.4634 -2061.3581 -2179.8953
ENERGY: 436 19670.9240 20349.9982 5717.2345 173.0864 -336303.8807 23119.9071 0.0000 0.0000 44847.0988 -222425.6317 163.1414 -267272.7305 -222059.6959 163.1414 -1520.6598 -2145.1619 921491.4634 -1520.6598 -2145.1619
ENERGY: 437 19434.5514 20329.5092 5720.9893 175.9827 -336411.9778 23136.3861 0.0000 0.0000 45159.2691 -222455.2901 164.2770 -267614.5592 -222050.7503 164.2770 -1319.1169 -2134.4850 921491.4634 -1319.1169 -2134.4850
ENERGY: 438 19935.1532 20278.6094 5724.6883 179.3848 -336899.4569 23173.5512 0.0000 0.0000 45148.1326 -222459.9374 164.2365 -267608.0699 -222051.5668 164.2365 -1493.0943 -2145.0882 921491.4634 -1493.0943 -2145.0882
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TIMING: 440 CPU: 206.826, 0.458311/step Wall: 206.826, 0.458311/step, 0.00763852 hours remaining, 3224.519531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5686 20036.2368 5729.7527 186.7202 -338123.1794 23276.2478 0.0000 0.0000 44417.5457 -222405.1077 161.5788 -266822.6534 -222059.4771 161.5788 -2408.4616 -2197.9672 921491.4634 -2408.4616 -2197.9672
ENERGY: 441 22355.5487 19860.0405 5730.3487 190.1146 -338361.1701 23313.2037 0.0000 0.0000 44502.6963 -222409.2177 161.8886 -266911.9139 -222050.0858 161.8886 -2716.1030 -2221.5314 921491.4634 -2716.1030 -2221.5314
ENERGY: 442 21853.6117 19664.5344 5729.4854 192.9411 -338090.1517 23327.1559 0.0000 0.0000 44880.6319 -222441.7911 163.2634 -267322.4231 -222049.7753 163.2634 -2710.5578 -2229.0697 921491.4634 -2710.5578 -2229.0697
ENERGY: 443 21064.3314 19487.0717 5727.6164 194.9329 -337369.3132 23320.0149 0.0000 0.0000 45118.1106 -222457.2352 164.1273 -267575.3458 -222048.5993 164.1273 -2448.1649 -2220.3532 921491.4634 -2448.1649 -2220.3532
ENERGY: 444 20449.3362 19357.2685 5725.4095 195.8735 -336464.1905 23301.5267 0.0000 0.0000 44987.7176 -222447.0586 163.6530 -267434.7762 -222057.9796 163.6530 -2090.2098 -2206.4400 921491.4634 -2090.2098 -2206.4400
ENERGY: 445 20125.5606 19307.2513 5723.6513 195.6942 -335759.3898 23283.8130 0.0000 0.0000 44708.7155 -222414.7039 162.6380 -267123.4194 -222046.5426 162.6380 -1846.9624 -2201.6926 921491.4634 -1846.9624 -2201.6926
ENERGY: 446 19947.6802 19324.9003 5722.5429 194.3235 -335494.5695 23276.0442 0.0000 0.0000 44620.2946 -222408.7837 162.3164 -267029.0783 -222046.1618 162.3164 -1800.7517 -2216.7294 921491.4634 -1800.7517 -2216.7294
ENERGY: 447 19914.2846 19416.0210 5722.2107 191.8642 -335769.4391 23282.7449 0.0000 0.0000 44816.5089 -222425.8048 163.0301 -267242.3137 -222046.8341 163.0301 -1993.3113 -2253.0604 921491.4634 -1993.3113 -2253.0604
ENERGY: 448 20187.5922 19583.6801 5722.5764 188.5554 -336503.1799 23303.8896 0.0000 0.0000 45065.6675 -222451.2186 163.9365 -267516.8861 -222059.3482 163.9365 -2372.1882 -2303.7902 921491.4634 -2372.1882 -2303.7902
ENERGY: 449 20877.4062 19832.6989 5723.5712 184.8596 -337500.9073 23334.5915 0.0000 0.0000 45101.1679 -222446.6120 164.0657 -267547.7799 -222047.7100 164.0657 -2827.1086 -2356.1410 921491.4634 -2827.1086 -2356.1410
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4856 20108.1303 5724.4776 181.0898 -338419.3254 23364.6235 0.0000 0.0000 44854.3099 -222432.2087 163.1677 -267286.5187 -222048.7862 163.1677 -3116.6763 -2394.3900 921491.4634 -3116.6763 -2394.3900
ENERGY: 451 22355.5903 20357.7258 5724.7143 177.6517 -338952.0914 23381.7999 0.0000 0.0000 44542.6992 -222411.9102 162.0341 -266954.6093 -222048.8247 162.0341 -3074.2538 -2405.7801 921491.4634 -3074.2538 -2405.7801
ENERGY: 452 22246.2015 20536.0137 5723.8953 174.8859 -338927.1540 23378.0936 0.0000 0.0000 44452.9203 -222415.1438 161.7075 -266868.0641 -222059.6369 161.7075 -2659.9608 -2384.7570 921491.4634 -2659.9608 -2384.7570
ENERGY: 453 21399.8726 20641.1313 5722.2878 173.1350 -338392.7936 23354.5900 0.0000 0.0000 44683.7040 -222418.0729 162.5470 -267101.7768 -222043.5370 162.5470 -2048.3340 -2342.4670 921491.4634 -2048.3340 -2342.4670
ENERGY: 454 20248.3381 20654.1376 5720.2217 172.3637 -337567.1415 23320.6895 0.0000 0.0000 45008.1470 -222443.2440 163.7273 -267451.3910 -222041.8389 163.7273 -1453.4579 -2293.1452 921491.4634 -1453.4579 -2293.1452
ENERGY: 455 19486.7906 20584.7122 5718.4844 172.5169 -336790.6453 23290.4018 0.0000 0.0000 45086.5793 -222451.1602 164.0126 -267537.7394 -222040.8568 164.0126 -1151.8824 -2255.8573 921491.4634 -1151.8824 -2255.8573
ENERGY: 456 19493.3720 20440.6802 5717.7555 173.4248 -336350.1076 23274.9627 0.0000 0.0000 44811.4729 -222438.4395 163.0118 -267249.9124 -222055.3485 163.0118 -1305.5004 -2245.5824 921491.4634 -1305.5004 -2245.5824
ENERGY: 457 20047.4929 20251.9436 5718.5580 174.9241 -336395.8165 23277.8271 0.0000 0.0000 44521.8707 -222403.2002 161.9583 -266925.0709 -222049.4132 161.9583 -1906.4166 -2263.5014 921491.4634 -1906.4166 -2263.5014
ENERGY: 458 20585.8436 20019.2723 5720.7060 176.6081 -336835.0959 23294.7170 0.0000 0.0000 44632.7889 -222405.1599 162.3618 -267037.9488 -222051.2822 162.3618 -2684.6989 -2301.0428 921491.4634 -2684.6989 -2301.0428
ENERGY: 459 20903.4949 19784.9689 5724.0021 178.1985 -337468.1642 23318.6980 0.0000 0.0000 45113.9367 -222444.8652 164.1121 -267558.8019 -222053.1411 164.1121 -3350.5834 -2341.5797 921491.4634 -3350.5834 -2341.5797
TIMING: 460 CPU: 215.986, 0.457991/step Wall: 215.986, 0.457991/step, 0.00508879 hours remaining, 3224.519531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6142 19597.9061 5728.0971 179.4910 -338014.3764 23341.7999 0.0000 0.0000 45423.8566 -222480.6114 165.2395 -267904.4680 -222064.6834 165.2395 -3669.8204 -2365.2413 921491.4634 -3669.8204 -2365.2413
ENERGY: 461 21862.8764 19507.1072 5732.5752 180.4333 -338251.6211 23355.3934 0.0000 0.0000 45154.6139 -222458.6217 164.2601 -267613.2356 -222058.0505 164.2601 -3556.1668 -2361.1799 921491.4634 -3556.1668 -2361.1799
ENERGY: 462 22264.2256 19487.8105 5736.4822 180.9531 -337988.7164 23351.1085 0.0000 0.0000 44559.9291 -222408.2072 162.0968 -266968.1363 -222056.7212 162.0968 -2954.8201 -2323.4250 921491.4634 -2954.8201 -2323.4250
ENERGY: 463 21821.1792 19513.9012 5738.9361 181.1160 -337284.1021 23326.9477 0.0000 0.0000 44313.4569 -222388.5650 161.2002 -266702.0219 -222054.6240 161.2002 -2012.4424 -2264.0778 921491.4634 -2012.4424 -2264.0778
ENERGY: 464 20535.2460 19559.9270 5739.2518 181.0096 -336389.3834 23291.1942 0.0000 0.0000 44654.0264 -222428.7284 162.4391 -267082.7547 -222058.5728 162.4391 -1050.9226 -2205.5268 921491.4634 -1050.9226 -2205.5268
ENERGY: 465 19322.7825 19631.8854 5737.2899 180.7155 -335701.1528 23259.7392 0.0000 0.0000 45094.5685 -222474.1719 164.0416 -267568.7404 -222052.9387 164.0416 -512.3345 -2174.4008 921491.4634 -512.3345 -2174.4008
ENERGY: 466 19088.4508 19708.3583 5733.2107 180.2808 -335443.7723 23245.0605 0.0000 0.0000 45020.7905 -222467.6206 163.7733 -267488.4111 -222052.9785 163.7733 -630.3313 -2182.6710 921491.4634 -630.3313 -2182.6710
ENERGY: 467 19841.8069 19783.1746 5727.6704 179.7757 -335721.0951 23249.4532 0.0000 0.0000 44523.6662 -222415.5482 161.9649 -266939.2144 -222054.3494 161.9649 -1393.6029 -2232.5924 921491.4634 -1393.6029 -2232.5924
ENERGY: 468 20761.8483 19845.4947 5721.5089 179.2779 -336451.5670 23265.8128 0.0000 0.0000 44291.6582 -222385.9662 161.1209 -266677.6244 -222056.3590 161.1209 -2508.6715 -2314.1340 921491.4634 -2508.6715 -2314.1340
ENERGY: 469 21236.3018 19910.2027 5715.6824 178.8504 -337458.3209 23284.3965 0.0000 0.0000 44720.3201 -222412.5671 162.6802 -267132.8873 -222046.0749 162.6802 -3596.7408 -2405.7973 921491.4634 -3596.7408 -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 21411.1733 19972.8940 5710.9491 178.5947 -338383.2518 23297.0676 0.0000 0.0000 45346.4576 -222466.1155 164.9579 -267812.5731 -222047.6088 164.9579 -4259.6997 -2477.6831 921491.4634 -4259.6997 -2477.6831
ENERGY: 471 21732.8679 20054.6840 5707.9626 178.5890 -338913.2464 23297.5089 0.0000 0.0000 45471.3369 -222470.2970 165.4122 -267941.6339 -222047.5358 165.4122 -4290.5685 -2504.3175 921491.4634 -4290.5685 -2504.3175
ENERGY: 472 22081.2363 20161.5556 5707.0091 178.9047 -338870.6784 23279.4496 0.0000 0.0000 45028.5299 -222433.9931 163.8014 -267462.5230 -222059.5060 163.8014 -3659.7362 -2479.9185 921491.4634 -3659.7362 -2479.9185
ENERGY: 473 21866.1364 20289.3431 5707.9843 179.6165 -338307.7207 23240.7369 0.0000 0.0000 44634.5175 -222389.3861 162.3681 -267023.9036 -222043.8541 162.3681 -2556.3617 -2408.1659 921491.4634 -2556.3617 -2408.1659
ENERGY: 474 20842.9705 20372.0990 5710.2160 180.7466 -337438.4568 23189.2354 0.0000 0.0000 44733.2308 -222409.9583 162.7272 -267143.1892 -222041.2621 162.7272 -1295.5525 -2316.2729 921491.4634 -1295.5525 -2316.2729
ENERGY: 475 19674.2080 20371.7677 5712.9876 182.2512 -336604.2327 23142.3824 0.0000 0.0000 45070.2140 -222450.4218 163.9531 -267520.6358 -222039.4532 163.9531 -344.6448 -2232.2127 921491.4634 -344.6448 -2232.2127
ENERGY: 476 19235.7862 20282.0276 5715.7683 184.0125 -336100.0911 23115.8473 0.0000 0.0000 45106.0633 -222460.5860 164.0835 -267566.6493 -222053.6136 164.0835 -92.4047 -2183.0651 921491.4634 -92.4047 -2183.0651
ENERGY: 477 19704.7251 20145.9813 5718.4976 185.9230 -336101.8795 23114.2945 0.0000 0.0000 44812.3207 -222420.1373 163.0149 -267232.4580 -222044.8410 163.0149 -667.4944 -2171.8227 921491.4634 -667.4944 -2171.8227
ENERGY: 478 20493.4778 19974.7635 5721.0254 187.7262 -336537.4039 23131.2466 0.0000 0.0000 44627.0331 -222402.1313 162.3409 -267029.1644 -222047.4106 162.3409 -1807.1603 -2198.7954 921491.4634 -1807.1603 -2198.7954
ENERGY: 479 21125.3059 19793.3951 5723.3295 189.2099 -337215.5838 23156.6777 0.0000 0.0000 44802.1576 -222425.5082 162.9779 -267227.6658 -222050.5459 162.9779 -3089.8515 -2246.7915 921491.4634 -3089.8515 -2246.7915
TIMING: 480 CPU: 225.14, 0.457705/step Wall: 225.14, 0.457705/step, 0.0025428 hours remaining, 3224.519531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0327 19623.1958 5725.3111 190.1901 -337854.6784 23181.5123 0.0000 0.0000 45051.6814 -222458.7550 163.8856 -267510.4364 -222064.6210 163.8856 -4077.7326 -2291.4890 921491.4634 -4077.7326 -2291.4890
ENERGY: 481 22092.4854 19510.0427 5727.0952 190.6351 -338199.2477 23196.7964 0.0000 0.0000 45041.3366 -222440.8563 163.8480 -267482.1929 -222052.5265 163.8480 -4466.2393 -2305.6731 921491.4634 -4466.2393 -2305.6731
ENERGY: 482 22186.3469 19466.6789 5728.4964 190.3598 -338044.5414 23192.7479 0.0000 0.0000 44865.8516 -222414.0600 163.2096 -267279.9116 -222051.4112 163.2096 -4059.3097 -2278.0613 921491.4634 -4059.3097 -2278.0613
ENERGY: 483 21553.1414 19511.5741 5729.5660 189.3227 -337426.2180 23165.8744 0.0000 0.0000 44861.8964 -222414.8429 163.1952 -267276.7394 -222048.7672 163.1952 -2964.1720 -2216.4114 921491.4634 -2964.1720 -2216.4114
ENERGY: 484 20460.8925 19631.1937 5730.2465 187.5455 -336590.8878 23126.1355 0.0000 0.0000 45003.6026 -222451.2715 163.7107 -267454.8741 -222059.8740 163.7107 -1565.2421 -2143.1847 921491.4634 -1565.2421 -2143.1847
ENERGY: 485 19688.7719 19800.2991 5730.5256 185.2458 -335902.5860 23092.8473 0.0000 0.0000 44955.5719 -222449.3244 163.5360 -267404.8963 -222045.9603 163.5360 -422.1566 -2086.8734 921491.4634 -422.1566 -2086.8734
ENERGY: 486 19602.5426 19954.8177 5729.7198 182.4662 -335612.3563 23080.3810 0.0000 0.0000 44645.9111 -222416.5179 162.4096 -267062.4290 -222044.6758 162.4096 87.3184 -2070.0981 921491.4634 87.3184 -2070.0981
ENERGY: 487 19881.0925 20072.0215 5727.4348 179.4360 -335846.4478 23091.0546 0.0000 0.0000 44503.3488 -222392.0597 161.8910 -266895.4085 -222045.2405 161.8910 -192.2344 -2106.8839 921491.4634 -192.2344 -2106.8839
ENERGY: 488 20125.2099 20156.1364 5723.5441 176.4338 -336552.5450 23118.8617 0.0000 0.0000 44827.0553 -222425.3039 163.0685 -267252.3592 -222057.1936 163.0685 -1145.7533 -2194.6679 921491.4634 -1145.7533 -2194.6679
ENERGY: 489 20526.8872 20236.4612 5718.5749 173.8639 -337540.4655 23156.7310 0.0000 0.0000 45266.1002 -222461.8471 164.6656 -267727.9473 -222045.6083 164.6656 -2511.2405 -2316.7066 921491.4634 -2511.2405 -2316.7066
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7490 20292.9025 5712.8912 171.8438 -338458.1361 23196.4877 0.0000 0.0000 45213.5627 -222459.6991 164.4745 -267673.2619 -222048.2205 164.4745 -3823.4039 -2437.4154 921491.4634 -3823.4039 -2437.4154
ENERGY: 491 22430.4642 20312.1364 5707.3795 170.5404 -338984.5794 23226.0936 0.0000 0.0000 44733.0087 -222404.9566 162.7264 -267137.9653 -222049.4636 162.7264 -4629.6935 -2524.6214 921491.4634 -4629.6935 -2524.6214
ENERGY: 492 22612.9549 20289.6814 5702.9944 170.0208 -338937.5817 23232.7204 0.0000 0.0000 44542.1947 -222387.0151 162.0323 -266929.2098 -222060.3860 162.0323 -4606.8525 -2557.4730 921491.4634 -4606.8525 -2557.4730
ENERGY: 493 21558.2188 20260.7378 5700.7779 170.3200 -338358.0633 23214.0535 0.0000 0.0000 45033.8226 -222420.1326 163.8207 -267453.9552 -222046.5901 163.8207 -3796.3819 -2540.0996 921491.4634 -3796.3819 -2540.0996
ENERGY: 494 20068.3365 20225.0264 5700.9806 171.2193 -337454.3832 23183.0793 0.0000 0.0000 45622.2473 -222483.4940 165.9612 -268105.7412 -222044.0868 165.9612 -2500.8992 -2482.1069 921491.4634 -2500.8992 -2482.1069
ENERGY: 495 19383.2461 20186.8301 5703.5926 172.5416 -336566.9881 23159.4622 0.0000 0.0000 45484.1229 -222477.1925 165.4587 -267961.3155 -222041.5564 165.4587 -1249.6836 -2407.3057 921491.4634 -1249.6836 -2407.3057
ENERGY: 496 19722.4832 20130.6470 5708.0350 174.0933 -335998.7148 23154.2632 0.0000 0.0000 44699.5270 -222409.6660 162.6046 -267109.1930 -222049.0671 162.6046 -478.8996 -2343.4752 921491.4634 -478.8996 -2343.4752
ENERGY: 497 20212.6667 20059.9172 5713.4613 175.7242 -335952.5034 23166.3542 0.0000 0.0000 44261.0289 -222363.3511 161.0095 -266624.3800 -222042.7501 161.0095 -421.0232 -2316.7929 921491.4634 -421.0232 -2316.7929
ENERGY: 498 20182.0165 19957.1209 5718.5596 177.2604 -336366.4926 23189.3581 0.0000 0.0000 44728.2536 -222413.9234 162.7091 -267142.1770 -222044.5220 162.7091 -993.4681 -2331.6474 921491.4634 -993.4681 -2331.6474
ENERGY: 499 20158.0680 19847.7302 5722.4089 178.6361 -337058.4818 23219.2400 0.0000 0.0000 45439.2646 -222493.1340 165.2956 -267932.3986 -222047.2063 165.2956 -2020.8690 -2376.3392 921491.4634 -2020.8690 -2376.3392
Info: Benchmark time: 4 CPUs 0.457365 s/step 5.29358 days/ns 3224.52 MB memory
TIMING: 500 CPU: 234.219, 0.453975/step Wall: 234.219, 0.453975/step, 0 hours remaining, 3224.519531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8940 19756.6577 5724.4523 179.8271 -337741.4187 23251.1005 0.0000 0.0000 45359.0780 -222495.4091 165.0039 -267854.4871 -222061.0910 165.0039 -3197.5171 -2425.4143 921491.4634 -3197.5171 -2425.4143
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.613 MB of memory in use
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.613 MB of memory in use
====================================================
WallClock: 241.260162 CPUTime: 241.260162 Memory: 3229.613281 MB
[Partition 0][Node 0] End of program
Application 109597298 resources: utime ~948s, stime ~19s, Rss ~127168, inblocks ~67011, outblocks ~72241
Displaying status file:
verified
WALL=241.260162
CPU=241.260162
MEM=3229.613281
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins6421538159054398650.sh
+ rm -rf /var/lib/jenkins/jobs/NAMD-BW/workspace/cputime /var/lib/jenkins/jobs/NAMD-BW/workspace/memory /var/lib/jenkins/jobs/NAMD-BW/workspace/namd /var/lib/jenkins/jobs/NAMD-BW/workspace/wallclock
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-BW/workspace
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-BW/workspace
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD-BW/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/memory
Finished: SUCCESS
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