Skipping 712 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 ============== 54.4141
LDB: Largest compute 200 load 0.429354 is 1.2% of average load 36.813232
LDB: Average compute 0.051570 is 0.1% of average load 36.813232
LDB: Partitioning computes with target load 3.681323
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055672
LDB: ============== END OF LOAD BALANCING =============== 54.4163
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.4172
Info: Initial time: 4 CPUs 0.473115 s/step 5.47587 days/ns 3221.57 MB memory
TIMING: 100 CPU: 48.2827, 0.472119/step Wall: 48.2827, 0.472119/step, 0.0524577 hours remaining, 3221.570312 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 ============== 63.8411
LDB: ============== END OF LOAD BALANCING =============== 63.8412
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.8417
TIMING: 120 CPU: 57.7068, 0.471206/step Wall: 57.7068, 0.471206/step, 0.0497385 hours remaining, 3221.753906 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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ENERGY: 138 21874.8524 19195.4802 5730.8549 192.8766 -333203.4343 21083.5324 0.0000 0.0000 42784.9639 -222340.8740 155.6399 -265125.8379 -222213.1817 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.1226, 0.470791/step Wall: 67.1226, 0.470791/step, 0.0470791 hours remaining, 3221.937500 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: 150 21015.8992 19956.3835 5767.3089 192.0924 -334899.3752 20845.5771 0.0000 0.0000 44606.5897 -222515.5245 162.2665 -267122.1142 -222153.2666 162.2665 -4472.9373 -2881.9211 921491.4634 -4472.9373 -2881.9211
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TIMING: 160 CPU: 76.5322, 0.470478/step Wall: 76.5322, 0.470478/step, 0.0444341 hours remaining, 3222.078125 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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ENERGY: 178 21917.7899 18733.9560 5737.6245 154.5770 -332975.2974 21015.2132 0.0000 0.0000 43101.1544 -222314.9824 156.7902 -265416.1368 -222126.1321 156.7902 -2936.2255 -2665.7682 921491.4634 -2936.2255 -2665.7682
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TIMING: 180 CPU: 85.9299, 0.469884/step Wall: 85.9299, 0.469884/step, 0.0417675 hours remaining, 3222.218750 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: 187 22073.2967 19471.4304 5678.7398 184.6336 -333156.1126 21076.9264 0.0000 0.0000 42449.0056 -222222.0800 154.4178 -264671.0856 -222130.9079 154.4178 -3641.8536 -2802.0866 921491.4634 -3641.8536 -2802.0866
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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: 198 21224.0060 18800.3006 5711.3574 186.3640 -333385.4998 21161.1533 0.0000 0.0000 43911.2864 -222391.0321 159.7372 -266302.3185 -222090.4392 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.464
LDB: Largest compute 200 load 0.424572 is 1.2% of average load 36.637552
LDB: Average compute 0.051314 is 0.1% of average load 36.637552
LDB: TIME 101.466 LOAD: AVG 36.6376 MAX 37.6219 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.54 MB
LDB: TIME 101.468 LOAD: AVG 36.6376 MAX 37.5419 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.54 MB
LDB: ============== END OF LOAD BALANCING =============== 101.47
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.473
Info: Initial time: 4 CPUs 0.470457 s/step 5.4451 days/ns 3223.2 MB memory
TIMING: 200 CPU: 95.3382, 0.470417/step Wall: 95.3382, 0.470417/step, 0.0392014 hours remaining, 3223.195312 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: 210 21385.1734 20194.2568 5705.3139 178.4614 -336615.7767 21385.1095 0.0000 0.0000 45251.4335 -222516.0282 164.6123 -267767.4616 -222108.2016 164.6123 -6091.3662 -2896.2627 921491.4634 -6091.3662 -2896.2627
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TIMING: 220 CPU: 104.746, 0.470368/step Wall: 104.746, 0.470368/step, 0.0365842 hours remaining, 3223.195312 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: 114.144, 0.469939/step Wall: 114.144, 0.469939/step, 0.0339401 hours remaining, 3223.195312 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 22110.7715 20111.8210 5758.5347 169.0441 -335904.8197 21831.0567 0.0000 0.0000 43526.8719 -222396.7196 158.3388 -265923.5915 -222063.5737 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
ENERGY: 243 19462.3620 19969.6446 5749.3614 168.8705 -335233.7069 21770.4748 0.0000 0.0000 45537.0690 -222575.9246 165.6513 -268112.9936 -222061.6675 165.6513 -3760.4506 -2614.6992 921491.4634 -3760.4506 -2614.6992
ENERGY: 244 18822.2465 19849.3935 5737.4544 169.6534 -334482.6012 21720.5676 0.0000 0.0000 45629.1662 -222554.1195 165.9864 -268183.2857 -222078.7771 165.9864 -2667.7299 -2573.2150 921491.4634 -2667.7299 -2573.2150
ENERGY: 245 20148.2370 19811.7600 5725.7784 171.4559 -334087.5948 21701.2470 0.0000 0.0000 44168.5247 -222360.5918 160.6730 -266529.1166 -222068.6367 160.6730 -1771.6902 -2533.5454 921491.4634 -1771.6902 -2533.5454
ENERGY: 246 20878.5482 19853.7025 5716.8932 174.1558 -334213.1207 21705.0850 0.0000 0.0000 43600.4182 -222284.3179 158.6063 -265884.7361 -222067.4297 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5286 19979.6440 5712.7400 177.5412 -334802.1843 21719.8454 0.0000 0.0000 44912.1912 -222431.6938 163.3782 -267343.8850 -222068.1395 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4924 20164.4296 5713.8450 181.3144 -335623.1354 21746.4310 0.0000 0.0000 46185.9362 -222595.6868 168.0117 -268781.6230 -222090.3130 168.0117 -1359.1247 -2608.3067 921491.4634 -1359.1247 -2608.3067
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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: 253 19499.8637 19667.1122 5729.5496 195.2411 -334977.1805 21784.0536 0.0000 0.0000 45520.0191 -222581.3412 165.5893 -268101.3603 -222082.7205 165.5893 -3300.1273 -2735.8131 921491.4634 -3300.1273 -2735.8131
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ENERGY: 255 20324.2312 19109.4101 5707.6062 196.0620 -333099.9232 21746.1514 0.0000 0.0000 43667.4212 -222349.0410 158.8501 -266016.4623 -222078.3976 158.8501 -2282.5425 -2662.7814 921491.4634 -2282.5425 -2662.7814
ENERGY: 256 20899.4410 18950.9577 5693.4518 195.6570 -332975.5971 21757.6847 0.0000 0.0000 43181.1613 -222297.2437 157.0812 -265478.4050 -222071.2739 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5652 18878.1873 5681.1759 194.7976 -333481.0037 21780.2418 0.0000 0.0000 44488.5469 -222428.4890 161.8371 -266917.0359 -222060.1683 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5866 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 -2331.2327 -2737.1920 921491.4634 -2331.2327 -2737.1920
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TIMING: 260 CPU: 123.537, 0.46961/step Wall: 123.537, 0.46961/step, 0.0313073 hours remaining, 3223.605469 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
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ENERGY: 263 19781.1228 20140.5623 5703.8103 187.9445 -335614.9714 21924.4739 0.0000 0.0000 45349.7771 -222527.2805 164.9700 -267877.0576 -222051.1548 164.9700 -2647.8116 -2773.3903 921491.4634 -2647.8116 -2773.3903
ENERGY: 264 19385.2260 20436.4305 5710.6950 187.5052 -334855.9513 21907.7771 0.0000 0.0000 44751.4784 -222476.8390 162.7936 -267228.3174 -222069.1985 162.7936 -2191.1927 -2723.5294 921491.4634 -2191.1927 -2723.5294
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ENERGY: 266 20048.7898 20788.8700 5712.1327 187.6137 -334399.4577 21914.4804 0.0000 0.0000 43399.3798 -222348.1913 157.8750 -265747.5711 -222054.3636 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0904 20691.2678 5707.0583 187.8501 -334831.4855 21930.8373 0.0000 0.0000 44220.2169 -222446.1647 160.8610 -266666.3816 -222055.6586 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9159 20375.7516 5700.1930 187.9286 -335513.7447 21959.1256 0.0000 0.0000 44823.5376 -222504.2924 163.0557 -267327.8301 -222075.9875 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -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 22620.1931 19450.9167 5690.3173 187.1618 -336650.6771 22028.8069 0.0000 0.0000 44308.0074 -222365.2738 161.1804 -266673.2812 -222067.0434 161.1804 -3583.3633 -2617.7583 921491.4634 -3583.3633 -2617.7583
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ENERGY: 272 21021.5583 18896.0661 5692.8269 184.9335 -335921.4613 22015.0578 0.0000 0.0000 45607.7077 -222503.3111 165.9083 -268111.0187 -222081.1572 165.9083 -2551.9684 -2501.8805 921491.4634 -2551.9684 -2501.8805
ENERGY: 273 20123.2136 18932.9079 5697.5117 183.8526 -334925.7012 21985.5295 0.0000 0.0000 45502.7162 -222499.9696 165.5264 -268002.6858 -222069.0459 165.5264 -1837.1976 -2434.6761 921491.4634 -1837.1976 -2434.6761
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ENERGY: 276 19401.8502 19594.7508 5701.2546 182.4904 -333292.1281 21971.0408 0.0000 0.0000 44028.5273 -222412.2139 160.1637 -266440.7412 -222072.9394 160.1637 -1580.1301 -2417.6041 921491.4634 -1580.1301 -2417.6041
ENERGY: 277 19149.2971 19724.7161 5695.5210 182.9396 -333864.3453 21997.2386 0.0000 0.0000 44632.8112 -222481.8217 162.3619 -267114.6329 -222061.0987 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4576 19713.7761 5686.9122 183.6585 -334821.1002 22041.3358 0.0000 0.0000 44532.2540 -222463.7061 161.9961 -266995.9601 -222063.4130 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -2593.7697
ENERGY: 279 21984.3648 19593.9433 5677.5176 184.5187 -335888.5799 22096.4198 0.0000 0.0000 43975.0880 -222376.7278 159.9693 -266351.8158 -222065.2023 159.9693 -4044.3212 -2682.8390 921491.4634 -4044.3212 -2682.8390
TIMING: 280 CPU: 132.915, 0.468945/step Wall: 132.915, 0.468945/step, 0.0286578 hours remaining, 3223.605469 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
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ENERGY: 286 19396.6309 20966.5623 5721.5031 185.8229 -334658.1146 22176.6861 0.0000 0.0000 43785.6881 -222425.2212 159.2803 -266210.9093 -222054.0581 159.2803 -1306.7503 -2717.2848 921491.4634 -1306.7503 -2717.2848
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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 ============== 148.452
LDB: Largest compute 200 load 0.518257 is 1.1% of average load 45.746029
LDB: Average compute 0.064081 is 0.1% of average load 45.746029
LDB: TIME 148.454 LOAD: AVG 45.746 MAX 46.9788 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.02 MB
LDB: TIME 148.454 LOAD: AVG 45.746 MAX 46.9788 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.02 MB
LDB: TIME 148.466 LOAD: AVG 45.746 MAX 46.2702 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.02 MB
LDB: ============== END OF LOAD BALANCING =============== 148.467
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.469
Info: Initial time: 4 CPUs 0.469456 s/step 5.43351 days/ns 3224.02 MB memory
TIMING: 300 CPU: 142.301, 0.469283/step Wall: 142.301, 0.469283/step, 0.0260713 hours remaining, 3224.023438 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: 151.534, 0.461635/step Wall: 151.534, 0.461635/step, 0.0230818 hours remaining, 3224.023438 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: 160.752, 0.460916/step Wall: 160.752, 0.460916/step, 0.0204852 hours remaining, 3224.023438 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: 169.971, 0.460963/step Wall: 169.971, 0.460963/step, 0.0179263 hours remaining, 3224.023438 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: 364 19323.8976 19612.6015 5699.8913 181.0103 -336175.1999 22790.5190 0.0000 0.0000 46034.3491 -222532.9311 167.4603 -268567.2802 -222068.5916 167.4603 -1420.0427 -2476.3757 921491.4634 -1420.0427 -2476.3757
ENERGY: 365 18830.5839 19548.3420 5710.7558 180.6857 -335316.0968 22775.7828 0.0000 0.0000 45760.0891 -222509.8575 166.4626 -268269.9466 -222057.4401 166.4626 -1100.2607 -2433.4823 921491.4634 -1100.2607 -2433.4823
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ENERGY: 369 20346.9675 19812.6206 5741.6369 179.5048 -336580.3305 22825.3356 0.0000 0.0000 45155.6310 -222518.6341 164.2638 -267674.2650 -222061.1001 164.2638 -3666.9889 -2542.4574 921491.4634 -3666.9889 -2542.4574
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: 376 19884.0271 19962.1763 5703.2010 181.1433 -335321.8631 22772.8699 0.0000 0.0000 44434.3279 -222384.1177 161.6399 -266818.4455 -222050.5531 161.6399 -874.6220 -2439.6903 921491.4634 -874.6220 -2439.6903
ENERGY: 377 20646.4606 20251.1593 5706.5521 182.3248 -335763.5801 22794.3772 0.0000 0.0000 43848.2756 -222334.4304 159.5080 -266182.7060 -222041.4014 159.5080 -1819.5855 -2472.4986 921491.4634 -1819.5855 -2472.4986
ENERGY: 378 20473.8097 20495.6596 5711.4639 183.2952 -336584.2278 22821.5835 0.0000 0.0000 44474.7537 -222423.6622 161.7869 -266898.4159 -222044.3969 161.7869 -2972.9870 -2523.3499 921491.4634 -2972.9870 -2523.3499
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TIMING: 380 CPU: 179.18, 0.460453/step Wall: 179.18, 0.460453/step, 0.0153484 hours remaining, 3224.023438 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: 384 19625.4114 19596.0354 5710.5349 179.0647 -336052.0489 22884.2534 0.0000 0.0000 45539.1834 -222517.5657 165.6590 -268056.7491 -222062.0925 165.6590 -569.2380 -2166.9357 921491.4634 -569.2380 -2166.9357
ENERGY: 385 19327.8180 19356.8911 5707.7751 177.4354 -335210.6402 22871.6144 0.0000 0.0000 45299.7172 -222469.3889 164.7879 -267769.1061 -222051.0992 164.7879 215.3515 -2064.3635 921491.4634 215.3515 -2064.3635
ENERGY: 386 19981.2272 19220.9464 5707.6637 175.9384 -334865.1817 22880.7958 0.0000 0.0000 44519.8587 -222378.7515 161.9510 -266898.6101 -222051.0437 161.9510 122.6671 -2011.2427 921491.4634 122.6671 -2011.2427
ENERGY: 387 20367.2859 19202.4844 5710.9354 174.6759 -335109.8725 22905.2745 0.0000 0.0000 44377.1816 -222372.0348 161.4320 -266749.2164 -222053.0049 161.4320 -738.9582 -2019.1687 921491.4634 -738.9582 -2019.1687
ENERGY: 388 20282.3985 19280.0168 5717.2934 173.7038 -335824.1518 22938.2901 0.0000 0.0000 44972.7761 -222459.6730 163.5986 -267432.4491 -222067.4816 163.5986 -2063.8551 -2076.2820 921491.4634 -2063.8551 -2076.2820
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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: 398 19692.8114 20133.3595 5716.9814 176.0456 -336812.3386 23014.0589 0.0000 0.0000 45592.7321 -222486.3496 165.8538 -268079.0818 -222045.7222 165.8538 -1710.2234 -2443.6964 921491.4634 -1710.2234 -2443.6964
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LDB: ============= START OF LOAD BALANCING ============== 194.559
LDB: Largest compute 230 load 0.524769 is 1.1% of average load 45.686584
LDB: Average compute 0.063976 is 0.1% of average load 45.686584
LDB: TIME 194.561 LOAD: AVG 45.6866 MAX 46.0902 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.02 MB
LDB: TIME 194.561 LOAD: AVG 45.6866 MAX 46.0902 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.02 MB
LDB: TIME 194.561 LOAD: AVG 45.6866 MAX 46.0902 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.02 MB
LDB: ============== END OF LOAD BALANCING =============== 194.562
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.563
Info: Benchmark time: 4 CPUs 0.460842 s/step 5.33382 days/ns 3224.02 MB memory
TIMING: 400 CPU: 188.389, 0.460448/step Wall: 188.389, 0.460448/step, 0.0127902 hours remaining, 3224.023438 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: 402 22444.0480 19835.9109 5715.8942 173.8391 -338107.6290 23109.6382 0.0000 0.0000 44436.8095 -222391.4891 161.6489 -266828.2986 -222049.2227 161.6489 -4939.3794 -2681.7023 921491.4634 -4939.3794 -2681.7023
ENERGY: 403 20784.9694 19778.4828 5715.7218 174.2695 -337239.9786 23077.8406 0.0000 0.0000 45225.5960 -222483.0985 164.5183 -267708.6945 -222046.6855 164.5183 -3613.5978 -2605.7427 921491.4634 -3613.5978 -2605.7427
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ENERGY: 408 19735.8468 19387.6643 5692.2152 187.5226 -335902.8217 23017.8176 0.0000 0.0000 45394.4118 -222487.3434 165.1324 -267881.7553 -222063.5314 165.1324 -920.8279 -2294.1555 921491.4634 -920.8279 -2294.1555
ENERGY: 409 20350.1186 19376.4607 5688.4775 191.1593 -336896.6847 23057.9925 0.0000 0.0000 45733.6056 -222498.8706 166.3663 -268232.4762 -222051.6707 166.3663 -2367.4919 -2346.9325 921491.4634 -2367.4919 -2346.9325
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: 413 21130.1417 20138.5247 5699.9334 199.7191 -337872.5323 23125.1118 0.0000 0.0000 45113.2144 -222465.8871 164.1095 -267579.1015 -222055.3455 164.1095 -3850.6270 -2398.9548 921491.4634 -3850.6270 -2398.9548
ENERGY: 414 19987.3856 20381.5506 5705.1135 199.5118 -337122.7801 23094.4560 0.0000 0.0000 45271.6528 -222483.1099 164.6858 -267754.7627 -222052.1625 164.6858 -2501.3242 -2333.9463 921491.4634 -2501.3242 -2333.9463
ENERGY: 415 19745.2665 20572.1259 5708.7452 198.1487 -336456.1975 23071.1993 0.0000 0.0000 44733.2273 -222427.4846 162.7272 -267160.7119 -222049.0348 162.7272 -1174.6452 -2266.5615 921491.4634 -1174.6452 -2266.5615
ENERGY: 416 19942.3168 20661.9897 5710.0857 195.6954 -336157.5864 23063.1716 0.0000 0.0000 44200.2848 -222384.0423 160.7885 -266584.3272 -222052.9647 160.7885 -282.7612 -2224.6897 921491.4634 -282.7612 -2224.6897
ENERGY: 417 20031.3748 20631.3211 5709.0494 192.4696 -336373.1078 23072.1100 0.0000 0.0000 44338.4618 -222398.3212 161.2911 -266736.7830 -222044.6996 161.2911 -112.4552 -2227.1699 921491.4634 -112.4552 -2227.1699
ENERGY: 418 20154.6646 20457.0911 5705.5847 188.6536 -336970.7870 23098.6727 0.0000 0.0000 44915.1422 -222450.9781 163.3889 -267366.1202 -222046.7095 163.3889 -671.8545 -2269.9921 921491.4634 -671.8545 -2269.9921
ENERGY: 419 20790.7630 20185.5525 5700.4811 184.6055 -337717.8760 23139.8024 0.0000 0.0000 45250.3100 -222466.3616 164.6082 -267716.6715 -222049.5953 164.6082 -1783.9421 -2336.6465 921491.4634 -1783.9421 -2336.6465
TIMING: 420 CPU: 197.577, 0.459363/step Wall: 197.577, 0.459363/step, 0.0102081 hours remaining, 3224.023438 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: 422 22275.7616 19449.5349 5688.9976 174.4058 -338225.0319 23208.5476 0.0000 0.0000 45004.7082 -222423.0762 163.7148 -267427.7844 -222052.8454 163.7148 -4363.1154 -2465.6373 921491.4634 -4363.1154 -2465.6373
ENERGY: 423 21418.8985 19324.4272 5689.6736 172.2145 -337416.8960 23180.6041 0.0000 0.0000 45183.9713 -222447.1068 164.3669 -267631.0781 -222051.5237 164.3669 -3955.8309 -2434.9306 921491.4634 -3955.8309 -2434.9306
ENERGY: 424 20531.3309 19270.7815 5692.6542 170.6563 -336406.2764 23140.4647 0.0000 0.0000 45151.0457 -222449.3432 164.2471 -267600.3889 -222060.4129 164.2471 -3030.1608 -2370.2032 921491.4634 -3030.1608 -2370.2032
ENERGY: 425 19942.3360 19314.5608 5697.3263 169.6876 -335607.5205 23103.7921 0.0000 0.0000 44956.0478 -222423.7699 163.5377 -267379.8177 -222050.7965 163.5377 -1980.9652 -2297.0089 921491.4634 -1980.9652 -2297.0089
ENERGY: 426 19603.3346 19432.3069 5702.4947 169.0990 -335270.6875 23080.2893 0.0000 0.0000 44862.7382 -222420.4248 163.1983 -267283.1629 -222049.1091 163.1983 -1125.8048 -2237.7213 921491.4634 -1125.8048 -2237.7213
ENERGY: 427 19598.5314 19595.2898 5707.1504 168.7509 -335498.4318 23074.5008 0.0000 0.0000 44915.2773 -222438.9312 163.3894 -267354.2084 -222048.7340 163.3894 -741.9006 -2207.6353 921491.4634 -741.9006 -2207.6353
ENERGY: 428 20140.4225 19760.4170 5710.4629 168.5259 -336199.9852 23087.7678 0.0000 0.0000 44884.2593 -222448.1298 163.2766 -267332.3891 -222058.0550 163.2766 -935.5730 -2206.9583 921491.4634 -935.5730 -2206.9583
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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: 430 22013.9873 20024.3736 5712.1700 168.1897 -338096.9207 23149.4495 0.0000 0.0000 44626.3098 -222402.4407 162.3382 -267028.7505 -222047.3916 162.3382 -2472.2456 -2268.0464 921491.4634 -2472.2456 -2268.0464
ENERGY: 431 22204.1024 20111.4152 5711.2600 168.0704 -338644.7648 23172.3807 0.0000 0.0000 44858.4629 -222419.0733 163.1828 -267277.5361 -222048.7170 163.1828 -3116.2805 -2293.5590 921491.4634 -3116.2805 -2293.5590
ENERGY: 432 21768.3705 20188.6723 5710.3547 168.1086 -338651.2108 23176.0849 0.0000 0.0000 45177.9910 -222461.6288 164.3451 -267639.6198 -222065.9061 164.3451 -3350.2743 -2296.1497 921491.4634 -3350.2743 -2296.1497
ENERGY: 433 21200.9072 20275.9664 5710.3763 168.4633 -338164.0644 23162.2914 0.0000 0.0000 45192.9285 -222453.1314 164.3995 -267646.0599 -222052.5985 164.3995 -3187.3734 -2272.1275 921491.4634 -3187.3734 -2272.1275
ENERGY: 434 20730.3412 20338.1501 5711.6061 169.3247 -337394.2711 23140.7739 0.0000 0.0000 44883.0996 -222420.9754 163.2724 -267304.0751 -222051.1465 163.2724 -2694.3108 -2227.7884 921491.4634 -2694.3108 -2227.7884
ENERGY: 435 20235.2201 20362.4017 5714.0003 170.8455 -336680.6560 23123.4101 0.0000 0.0000 44675.9835 -222398.7947 162.5189 -267074.7782 -222049.5891 162.5189 -2061.3581 -2179.8950 921491.4634 -2061.3581 -2179.8950
ENERGY: 436 19670.9242 20349.9985 5717.2346 173.0864 -336303.8815 23119.9082 0.0000 0.0000 44847.0978 -222425.6319 163.1414 -267272.7297 -222059.6961 163.1414 -1520.6595 -2145.1615 921491.4634 -1520.6595 -2145.1615
ENERGY: 437 19434.5514 20329.5096 5720.9894 175.9827 -336411.9788 23136.3873 0.0000 0.0000 45159.2682 -222455.2902 164.2770 -267614.5585 -222050.7504 164.2770 -1319.1165 -2134.4846 921491.4634 -1319.1165 -2134.4846
ENERGY: 438 19935.1529 20278.6098 5724.6884 179.3848 -336899.4579 23173.5524 0.0000 0.0000 45148.1320 -222459.9375 164.2365 -267608.0695 -222051.5670 164.2365 -1493.0937 -2145.0879 921491.4634 -1493.0937 -2145.0879
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TIMING: 440 CPU: 206.757, 0.45903/step Wall: 206.757, 0.45903/step, 0.0076505 hours remaining, 3224.023438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5684 20036.2372 5729.7527 186.7202 -338123.1812 23276.2492 0.0000 0.0000 44417.5455 -222405.1081 161.5788 -266822.6535 -222059.4775 161.5788 -2408.4610 -2197.9669 921491.4634 -2408.4610 -2197.9669
ENERGY: 441 22355.5488 19860.0408 5730.3488 190.1146 -338361.1722 23313.2052 0.0000 0.0000 44502.6961 -222409.2180 161.8886 -266911.9141 -222050.0861 161.8886 -2716.1026 -2221.5311 921491.4634 -2716.1026 -2221.5311
ENERGY: 442 21853.6119 19664.5347 5729.4854 192.9412 -338090.1540 23327.1575 0.0000 0.0000 44880.6319 -222441.7915 163.2634 -267322.4234 -222049.7757 163.2634 -2710.5576 -2229.0694 921491.4634 -2710.5576 -2229.0694
ENERGY: 443 21064.3316 19487.0720 5727.6164 194.9329 -337369.3158 23320.0165 0.0000 0.0000 45118.1107 -222457.2356 164.1273 -267575.3463 -222048.5997 164.1273 -2448.1648 -2220.3529 921491.4634 -2448.1648 -2220.3529
ENERGY: 444 20449.3364 19357.2687 5725.4095 195.8735 -336464.1930 23301.5283 0.0000 0.0000 44987.7176 -222447.0589 163.6530 -267434.7766 -222057.9799 163.6530 -2090.2098 -2206.4397 921491.4634 -2090.2098 -2206.4397
ENERGY: 445 20125.5610 19307.2515 5723.6513 195.6942 -335759.3922 23283.8146 0.0000 0.0000 44708.7153 -222414.7042 162.6380 -267123.4196 -222046.5429 162.6380 -1846.9624 -2201.6923 921491.4634 -1846.9624 -2201.6923
ENERGY: 446 19947.6805 19324.9004 5722.5430 194.3235 -335494.5716 23276.0458 0.0000 0.0000 44620.2945 -222408.7840 162.3164 -267029.0784 -222046.1621 162.3164 -1800.7515 -2216.7291 921491.4634 -1800.7515 -2216.7291
ENERGY: 447 19914.2846 19416.0209 5722.2107 191.8641 -335769.4409 23282.7465 0.0000 0.0000 44816.5090 -222425.8051 163.0301 -267242.3141 -222046.8344 163.0301 -1993.3108 -2253.0601 921491.4634 -1993.3108 -2253.0601
ENERGY: 448 20187.5918 19583.6799 5722.5764 188.5554 -336503.1814 23303.8911 0.0000 0.0000 45065.6679 -222451.2188 163.9365 -267516.8867 -222059.3484 163.9365 -2372.1876 -2303.7898 921491.4634 -2372.1876 -2303.7898
ENERGY: 449 20877.4059 19832.6985 5723.5712 184.8596 -337500.9088 23334.5930 0.0000 0.0000 45101.1683 -222446.6122 164.0657 -267547.7805 -222047.7102 164.0657 -2827.1080 -2356.1407 921491.4634 -2827.1080 -2356.1407
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4856 20108.1299 5724.4776 181.0897 -338419.3268 23364.6250 0.0000 0.0000 44854.3101 -222432.2089 163.1677 -267286.5190 -222048.7864 163.1677 -3116.6757 -2394.3896 921491.4634 -3116.6757 -2394.3896
ENERGY: 451 22355.5906 20357.7254 5724.7144 177.6517 -338952.0928 23381.8014 0.0000 0.0000 44542.6992 -222411.9103 162.0341 -266954.6095 -222048.8249 162.0341 -3074.2535 -2405.7798 921491.4634 -3074.2535 -2405.7798
ENERGY: 452 22246.2017 20536.0133 5723.8953 174.8859 -338927.1555 23378.0950 0.0000 0.0000 44452.9202 -222415.1440 161.7075 -266868.0643 -222059.6371 161.7075 -2659.9607 -2384.7567 921491.4634 -2659.9607 -2384.7567
ENERGY: 453 21399.8727 20641.1311 5722.2878 173.1350 -338392.7950 23354.5914 0.0000 0.0000 44683.7039 -222418.0731 162.5470 -267101.7770 -222043.5373 162.5470 -2048.3340 -2342.4667 921491.4634 -2048.3340 -2342.4667
ENERGY: 454 20248.3383 20654.1375 5720.2217 172.3637 -337567.1428 23320.6908 0.0000 0.0000 45008.1467 -222443.2443 163.7273 -267451.3909 -222041.8392 163.7273 -1453.4579 -2293.1449 921491.4634 -1453.4579 -2293.1449
ENERGY: 455 19486.7909 20584.7122 5718.4844 172.5169 -336790.6463 23290.4029 0.0000 0.0000 45086.5786 -222451.1604 164.0126 -267537.7390 -222040.8571 164.0126 -1151.8823 -2255.8570 921491.4634 -1151.8823 -2255.8570
ENERGY: 456 19493.3721 20440.6802 5717.7556 173.4248 -336350.1082 23274.9637 0.0000 0.0000 44811.4722 -222438.4397 163.0118 -267249.9119 -222055.3488 163.0118 -1305.5003 -2245.5823 921491.4634 -1305.5003 -2245.5823
ENERGY: 457 20047.4925 20251.9436 5718.5580 174.9241 -336395.8169 23277.8280 0.0000 0.0000 44521.8702 -222403.2004 161.9583 -266925.0706 -222049.4134 161.9583 -1906.4162 -2263.5012 921491.4634 -1906.4162 -2263.5012
ENERGY: 458 20585.8430 20019.2723 5720.7061 176.6081 -336835.0961 23294.7178 0.0000 0.0000 44632.7887 -222405.1601 162.3618 -267037.9487 -222051.2824 162.3618 -2684.6984 -2301.0426 921491.4634 -2684.6984 -2301.0426
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TIMING: 460 CPU: 215.927, 0.458494/step Wall: 215.927, 0.458494/step, 0.00509438 hours remaining, 3224.023438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6140 19597.9062 5728.0971 179.4910 -338014.3768 23341.8007 0.0000 0.0000 45423.8560 -222480.6118 165.2395 -267904.4678 -222064.6837 165.2395 -3669.8201 -2365.2412 921491.4634 -3669.8201 -2365.2412
ENERGY: 461 21862.8764 19507.1073 5732.5753 180.4333 -338251.6216 23355.3941 0.0000 0.0000 45154.6133 -222458.6221 164.2601 -267613.2353 -222058.0508 164.2601 -3556.1667 -2361.1799 921491.4634 -3556.1667 -2361.1799
ENERGY: 462 22264.2255 19487.8106 5736.4822 180.9531 -337988.7170 23351.1092 0.0000 0.0000 44559.9288 -222408.2076 162.0968 -266968.1363 -222056.7215 162.0968 -2954.8202 -2323.4250 921491.4634 -2954.8202 -2323.4250
ENERGY: 463 21821.1790 19513.9013 5738.9361 181.1160 -337284.1028 23326.9483 0.0000 0.0000 44313.4567 -222388.5654 161.2002 -266702.0221 -222054.6243 161.2002 -2012.4425 -2264.0777 921491.4634 -2012.4425 -2264.0777
ENERGY: 464 20535.2460 19559.9271 5739.2518 181.0096 -336389.3843 23291.1947 0.0000 0.0000 44654.0261 -222428.7290 162.4391 -267082.7551 -222058.5734 162.4391 -1050.9228 -2205.5268 921491.4634 -1050.9228 -2205.5268
ENERGY: 465 19322.7827 19631.8853 5737.2899 180.7155 -335701.1537 23259.7397 0.0000 0.0000 45094.5681 -222474.1725 164.0416 -267568.7406 -222052.9393 164.0416 -512.3346 -2174.4007 921491.4634 -512.3346 -2174.4007
ENERGY: 466 19088.4509 19708.3581 5733.2107 180.2808 -335443.7730 23245.0610 0.0000 0.0000 45020.7904 -222467.6212 163.7733 -267488.4115 -222052.9791 163.7733 -630.3311 -2182.6709 921491.4634 -630.3311 -2182.6709
ENERGY: 467 19841.8066 19783.1742 5727.6704 179.7757 -335721.0957 23249.4536 0.0000 0.0000 44523.6665 -222415.5488 161.9649 -266939.2153 -222054.3500 161.9649 -1393.6026 -2232.5923 921491.4634 -1393.6026 -2232.5923
ENERGY: 468 20761.8479 19845.4942 5721.5090 179.2779 -336451.5672 23265.8132 0.0000 0.0000 44291.6587 -222385.9665 161.1209 -266677.6252 -222056.3592 161.1209 -2508.6710 -2314.1338 921491.4634 -2508.6710 -2314.1338
ENERGY: 469 21236.3016 19910.2021 5715.6824 178.8504 -337458.3212 23284.3968 0.0000 0.0000 44720.3204 -222412.5674 162.6802 -267132.8879 -222046.0752 162.6802 -3596.7403 -2405.7970 921491.4634 -3596.7403 -2405.7970
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1734 19972.8934 5710.9491 178.5947 -338383.2521 23297.0680 0.0000 0.0000 45346.4577 -222466.1158 164.9580 -267812.5735 -222047.6090 164.9580 -4259.6994 -2477.6829 921491.4634 -4259.6994 -2477.6829
ENERGY: 471 21732.8680 20054.6836 5707.9626 178.5890 -338913.2469 23297.5092 0.0000 0.0000 45471.3371 -222470.2972 165.4122 -267941.6343 -222047.5361 165.4122 -4290.5684 -2504.3174 921491.4634 -4290.5684 -2504.3174
ENERGY: 472 22081.2362 20161.5554 5707.0091 178.9047 -338870.6785 23279.4499 0.0000 0.0000 45028.5302 -222433.9930 163.8014 -267462.5233 -222059.5059 163.8014 -3659.7362 -2479.9183 921491.4634 -3659.7362 -2479.9183
ENERGY: 473 21866.1364 20289.3429 5707.9843 179.6165 -338307.7210 23240.7371 0.0000 0.0000 44634.5179 -222389.3860 162.3681 -267023.9039 -222043.8540 162.3681 -2556.3617 -2408.1656 921491.4634 -2556.3617 -2408.1656
ENERGY: 474 20842.9707 20372.0990 5710.2161 180.7466 -337438.4571 23189.2356 0.0000 0.0000 44733.2310 -222409.9582 162.7272 -267143.1892 -222041.2621 162.7272 -1295.5525 -2316.2727 921491.4634 -1295.5525 -2316.2727
ENERGY: 475 19674.2083 20371.7677 5712.9876 182.2512 -336604.2331 23142.3825 0.0000 0.0000 45070.2141 -222450.4217 163.9531 -267520.6358 -222039.4531 163.9531 -344.6447 -2232.2124 921491.4634 -344.6447 -2232.2124
ENERGY: 476 19235.7862 20282.0277 5715.7683 184.0125 -336100.0920 23115.8474 0.0000 0.0000 45106.0638 -222460.5861 164.0835 -267566.6499 -222053.6138 164.0835 -92.4046 -2183.0651 921491.4634 -92.4046 -2183.0651
ENERGY: 477 19704.7247 20145.9814 5718.4976 185.9230 -336101.8805 23114.2947 0.0000 0.0000 44812.3215 -222420.1375 163.0149 -267232.4589 -222044.8411 163.0149 -667.4941 -2171.8226 921491.4634 -667.4941 -2171.8226
ENERGY: 478 20493.4774 19974.7638 5721.0254 187.7262 -336537.4050 23131.2468 0.0000 0.0000 44627.0339 -222402.1315 162.3409 -267029.1653 -222047.4107 162.3409 -1807.1599 -2198.7954 921491.4634 -1807.1599 -2198.7954
ENERGY: 479 21125.3058 19793.3955 5723.3295 189.2099 -337215.5850 23156.6780 0.0000 0.0000 44802.1581 -222425.5083 162.9779 -267227.6664 -222050.5460 162.9779 -3089.8512 -2246.7915 921491.4634 -3089.8512 -2246.7915
TIMING: 480 CPU: 225.1, 0.458637/step Wall: 225.1, 0.458637/step, 0.00254799 hours remaining, 3224.023438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0328 19623.1963 5725.3111 190.1900 -337854.6796 23181.5126 0.0000 0.0000 45051.6816 -222458.7551 163.8856 -267510.4367 -222064.6210 163.8856 -4077.7325 -2291.4889 921491.4634 -4077.7325 -2291.4889
ENERGY: 481 22092.4854 19510.0432 5727.0953 190.6351 -338199.2490 23196.7966 0.0000 0.0000 45041.3370 -222440.8564 163.8480 -267482.1933 -222052.5266 163.8480 -4466.2393 -2305.6730 921491.4634 -4466.2393 -2305.6730
ENERGY: 482 22186.3468 19466.6793 5728.4964 190.3598 -338044.5426 23192.7482 0.0000 0.0000 44865.8521 -222414.0601 163.2096 -267279.9122 -222051.4113 163.2096 -4059.3098 -2278.0613 921491.4634 -4059.3098 -2278.0613
ENERGY: 483 21553.1415 19511.5744 5729.5661 189.3227 -337426.2192 23165.8747 0.0000 0.0000 44861.8967 -222414.8430 163.1953 -267276.7398 -222048.7673 163.1953 -2964.1722 -2216.4114 921491.4634 -2964.1722 -2216.4114
ENERGY: 484 20460.8930 19631.1939 5730.2465 187.5455 -336590.8893 23126.1358 0.0000 0.0000 45003.6026 -222451.2721 163.7107 -267454.8747 -222059.8746 163.7107 -1565.2426 -2143.1849 921491.4634 -1565.2426 -2143.1849
ENERGY: 485 19688.7724 19800.2991 5730.5256 185.2458 -335902.5873 23092.8477 0.0000 0.0000 44955.5717 -222449.3250 163.5360 -267404.8967 -222045.9610 163.5360 -422.1570 -2086.8736 921491.4634 -422.1570 -2086.8736
ENERGY: 486 19602.5427 19954.8176 5729.7198 182.4662 -335612.3572 23080.3814 0.0000 0.0000 44645.9110 -222416.5186 162.4096 -267062.4296 -222044.6765 162.4096 87.3182 -2070.0982 921491.4634 87.3182 -2070.0982
ENERGY: 487 19881.0922 20072.0212 5727.4348 179.4360 -335846.4483 23091.0550 0.0000 0.0000 44503.3488 -222392.0604 161.8910 -266895.4092 -222045.2411 161.8910 -192.2344 -2106.8840 921491.4634 -192.2344 -2106.8840
ENERGY: 488 20125.2095 20156.1361 5723.5441 176.4338 -336552.5451 23118.8622 0.0000 0.0000 44827.0550 -222425.3044 163.0685 -267252.3594 -222057.1941 163.0685 -1145.7531 -2194.6679 921491.4634 -1145.7531 -2194.6679
ENERGY: 489 20526.8870 20236.4609 5718.5749 173.8639 -337540.4653 23156.7315 0.0000 0.0000 45266.0995 -222461.8476 164.6656 -267727.9471 -222045.6088 164.6656 -2511.2402 -2316.7066 921491.4634 -2511.2402 -2316.7066
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7489 20292.9023 5712.8912 171.8438 -338458.1359 23196.4882 0.0000 0.0000 45213.5619 -222459.6996 164.4745 -267673.2615 -222048.2210 164.4745 -3823.4038 -2437.4154 921491.4634 -3823.4038 -2437.4154
ENERGY: 491 22430.4638 20312.1363 5707.3795 170.5404 -338984.5792 23226.0942 0.0000 0.0000 44733.0080 -222404.9571 162.7264 -267137.9651 -222049.4641 162.7264 -4629.6935 -2524.6214 921491.4634 -4629.6935 -2524.6214
ENERGY: 492 22612.9544 20289.6815 5702.9944 170.0208 -338937.5814 23232.7210 0.0000 0.0000 44542.1942 -222387.0152 162.0323 -266929.2094 -222060.3861 162.0323 -4606.8524 -2557.4728 921491.4634 -4606.8524 -2557.4728
ENERGY: 493 21558.2186 20260.7379 5700.7779 170.3201 -338358.0632 23214.0541 0.0000 0.0000 45033.8220 -222420.1327 163.8207 -267453.9547 -222046.5901 163.8207 -3796.3820 -2540.0995 921491.4634 -3796.3820 -2540.0995
ENERGY: 494 20068.3367 20225.0267 5700.9805 171.2193 -337454.3834 23183.0799 0.0000 0.0000 45622.2463 -222483.4940 165.9612 -268105.7403 -222044.0868 165.9612 -2500.8993 -2482.1068 921491.4634 -2500.8993 -2482.1068
ENERGY: 495 19383.2464 20186.8306 5703.5926 172.5416 -336566.9885 23159.4629 0.0000 0.0000 45484.1219 -222477.1926 165.4587 -267961.3145 -222041.5564 165.4587 -1249.6837 -2407.3056 921491.4634 -1249.6837 -2407.3056
ENERGY: 496 19722.4832 20130.6476 5708.0350 174.0933 -335998.7156 23154.2639 0.0000 0.0000 44699.5262 -222409.6663 162.6046 -267109.1924 -222049.0673 162.6046 -478.8996 -2343.4751 921491.4634 -478.8996 -2343.4751
ENERGY: 497 20212.6665 20059.9179 5713.4613 175.7242 -335952.5043 23166.3549 0.0000 0.0000 44261.0283 -222363.3514 161.0095 -266624.3796 -222042.7503 161.0095 -421.0230 -2316.7928 921491.4634 -421.0230 -2316.7928
ENERGY: 498 20182.0163 19957.1216 5718.5596 177.2604 -336366.4935 23189.3589 0.0000 0.0000 44728.2530 -222413.9236 162.7091 -267142.1767 -222044.5223 162.7091 -993.4678 -2331.6473 921491.4634 -993.4678 -2331.6473
ENERGY: 499 20158.0679 19847.7308 5722.4089 178.6361 -337058.4827 23219.2407 0.0000 0.0000 45439.2640 -222493.1342 165.2956 -267932.3982 -222047.2065 165.2956 -2020.8687 -2376.3391 921491.4634 -2020.8687 -2376.3391
Info: Benchmark time: 4 CPUs 0.45811 s/step 5.3022 days/ns 3224.02 MB memory
TIMING: 500 CPU: 234.201, 0.455032/step Wall: 234.201, 0.455032/step, 0 hours remaining, 3224.023438 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 20974.8938 19756.6582 5724.4523 179.8271 -337741.4195 23251.1012 0.0000 0.0000 45359.0776 -222495.4093 165.0039 -267854.4869 -222061.0911 165.0039 -3197.5168 -2425.4141 921491.4634 -3197.5168 -2425.4141
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, 3229.281 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.281 MB of memory in use
====================================================
WallClock: 241.260681 CPUTime: 241.260681 Memory: 3229.281250 MB
[Partition 0][Node 0] End of program
Application 88540217 resources: utime ~948s, stime ~18s, Rss ~126676, inblocks ~67012, outblocks ~72238
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins5913545774199676699.sh
+ scp BW_REMOTE_4:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_4:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_4:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/memory
Finished: SUCCESS
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