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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 ============== 54.314
LDB: Largest compute 200 load 0.429778 is 1.2% of average load 36.796051
LDB: Average compute 0.051542 is 0.1% of average load 36.796051
LDB: Partitioning computes with target load 3.679605
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055383
LDB: ============== END OF LOAD BALANCING =============== 54.3162
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.3171
Info: Initial time: 4 CPUs 0.472857 s/step 5.47288 days/ns 3221.53 MB memory
TIMING: 100 CPU: 48.2543, 0.471851/step Wall: 48.2543, 0.471851/step, 0.0524278 hours remaining, 3221.527344 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 ============== 63.7366
LDB: ============== END OF LOAD BALANCING =============== 63.7367
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.7372
TIMING: 120 CPU: 57.6744, 0.471004/step Wall: 57.6744, 0.471004/step, 0.0497171 hours remaining, 3221.707031 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 -333203.4344 21083.5324 0.0000 0.0000 42784.9639 -222340.8740 155.6399 -265125.8379 -222213.1816 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.0873, 0.470647/step Wall: 67.0873, 0.470647/step, 0.0470647 hours remaining, 3221.835938 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: 160 CPU: 76.4884, 0.470052/step Wall: 76.4884, 0.470052/step, 0.0443938 hours remaining, 3222.148438 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 21917.7900 18733.9559 5737.6245 154.5770 -332975.2974 21015.2132 0.0000 0.0000 43101.1545 -222314.9823 156.7902 -265416.1368 -222126.1320 156.7902 -2936.2255 -2665.7683 921491.4634 -2936.2255 -2665.7683
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TIMING: 180 CPU: 85.8812, 0.469641/step Wall: 85.8812, 0.469641/step, 0.0417458 hours remaining, 3222.148438 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: 186 19266.0407 19234.9570 5686.4352 181.9571 -332240.0940 21043.7459 0.0000 0.0000 44391.5887 -222435.3693 161.4844 -266826.9580 -222129.2890 161.4844 -2596.4734 -2731.4263 921491.4634 -2596.4734 -2731.4263
ENERGY: 187 22073.2969 19471.4303 5678.7398 184.6336 -333156.1129 21076.9264 0.0000 0.0000 42449.0055 -222222.0803 154.4178 -264671.0858 -222130.9082 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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LDB: ============= START OF LOAD BALANCING ============== 101.338
LDB: Largest compute 200 load 0.424987 is 1.2% of average load 36.620207
LDB: Average compute 0.051295 is 0.1% of average load 36.620207
LDB: TIME 101.34 LOAD: AVG 36.6202 MAX 37.6004 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.53 MB
LDB: TIME 101.342 LOAD: AVG 36.6202 MAX 37.4913 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.53 MB
LDB: ============== END OF LOAD BALANCING =============== 101.344
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.347
Info: Initial time: 4 CPUs 0.470151 s/step 5.44157 days/ns 3223.73 MB memory
TIMING: 200 CPU: 95.2793, 0.469906/step Wall: 95.2793, 0.469906/step, 0.0391588 hours remaining, 3223.730469 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: 203 20743.8946 19130.0390 5729.2400 192.0764 -333501.9372 21215.8254 0.0000 0.0000 44059.6986 -222431.1632 160.2771 -266490.8619 -222093.6425 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
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ENERGY: 208 20293.2703 20371.8904 5718.1572 182.8654 -334789.2378 21322.2410 0.0000 0.0000 44428.6269 -222472.1866 161.6191 -266900.8135 -222122.6315 161.6191 -3669.0641 -2719.7952 921491.4634 -3669.0641 -2719.7952
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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 21385.1733 20194.2569 5705.3139 178.4614 -336615.7767 21385.1096 0.0000 0.0000 45251.4335 -222516.0282 164.6123 -267767.4617 -222108.2016 164.6123 -6091.3660 -2896.2627 921491.4634 -6091.3660 -2896.2627
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ENERGY: 213 20150.2162 19524.5248 5720.1722 175.9508 -334874.6445 21380.5552 0.0000 0.0000 45418.7806 -222504.4448 165.2210 -267923.2254 -222097.3836 165.2210 -2174.3119 -2725.0841 921491.4634 -2174.3119 -2725.0841
ENERGY: 214 17315.5531 19421.7447 5733.3059 176.6827 -333645.3938 21358.4486 0.0000 0.0000 46958.4703 -222681.1886 170.8220 -269639.6588 -222093.7408 170.8220 -143.6688 -2626.0579 921491.4634 -143.6688 -2626.0579
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ENERGY: 216 20973.4719 19522.5061 5756.9571 180.1770 -332560.1063 21436.4836 0.0000 0.0000 42442.1788 -222248.3318 154.3930 -264690.5106 -222073.6156 154.3930 420.9900 -2541.5428 921491.4634 420.9900 -2541.5428
ENERGY: 217 21778.3868 19581.4819 5762.2416 182.5517 -333010.6759 21497.2706 0.0000 0.0000 41983.6750 -222225.0683 152.7251 -264208.7433 -222064.4465 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9157 19540.0889 5761.2415 184.9927 -333856.1147 21546.6561 0.0000 0.0000 44178.6836 -222478.5361 160.7099 -266657.2197 -222068.8155 160.7099 -2628.0651 -2703.9746 921491.4634 -2628.0651 -2703.9746
ENERGY: 219 19429.8639 19413.3930 5754.3577 187.2447 -334778.0707 21596.8809 0.0000 0.0000 45751.9298 -222644.4008 166.4329 -268396.3305 -222073.1720 166.4329 -4457.7330 -2810.5236 921491.4634 -4457.7330 -2810.5236
TIMING: 220 CPU: 104.692, 0.470659/step Wall: 104.692, 0.470659/step, 0.0366068 hours remaining, 3223.730469 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: 114.099, 0.470333/step Wall: 114.099, 0.470333/step, 0.0339685 hours remaining, 3223.730469 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 22110.7717 20111.8209 5758.5348 169.0441 -335904.8198 21831.0568 0.0000 0.0000 43526.8719 -222396.7196 158.3388 -265923.5915 -222063.5737 158.3388 -4623.1690 -2633.0914 921491.4634 -4623.1690 -2633.0914
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ENERGY: 246 20878.5482 19853.7025 5716.8932 174.1558 -334213.1208 21705.0851 0.0000 0.0000 43600.4183 -222284.3177 158.6063 -265884.7360 -222067.4294 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5287 19979.6440 5712.7400 177.5412 -334802.1843 21719.8455 0.0000 0.0000 44912.1912 -222431.6936 163.3782 -267343.8848 -222068.1393 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4924 20164.4296 5713.8450 181.3144 -335623.1355 21746.4311 0.0000 0.0000 46185.9363 -222595.6866 168.0117 -268781.6229 -222090.3128 168.0117 -1359.1245 -2608.3066 921491.4634 -1359.1245 -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: 256 20899.4410 18950.9576 5693.4518 195.6570 -332975.5974 21757.6848 0.0000 0.0000 43181.1613 -222297.2438 157.0812 -265478.4051 -222071.2740 157.0812 -2042.2409 -2664.5198 921491.4634 -2042.2409 -2664.5198
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TIMING: 260 CPU: 123.494, 0.46974/step Wall: 123.494, 0.46974/step, 0.031316 hours remaining, 3223.730469 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 19781.1229 20140.5623 5703.8103 187.9445 -335614.9716 21924.4741 0.0000 0.0000 45349.7770 -222527.2805 164.9700 -267877.0575 -222051.1548 164.9700 -2647.8115 -2773.3902 921491.4634 -2647.8115 -2773.3902
ENERGY: 264 19385.2261 20436.4306 5710.6950 187.5052 -334855.9514 21907.7773 0.0000 0.0000 44751.4784 -222476.8388 162.7936 -267228.3172 -222069.1982 162.7936 -2191.1927 -2723.5293 921491.4634 -2191.1927 -2723.5293
ENERGY: 265 19946.8416 20681.9925 5713.6241 187.4392 -334395.6634 21906.0164 0.0000 0.0000 43607.6375 -222352.1120 158.6326 -265959.7495 -222054.3371 158.6326 -2038.0573 -2683.6034 921491.4634 -2038.0573 -2683.6034
ENERGY: 266 20048.7900 20788.8700 5712.1327 187.6137 -334399.4579 21914.4806 0.0000 0.0000 43399.3798 -222348.1911 157.8750 -265747.5709 -222054.3634 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0906 20691.2678 5707.0583 187.8501 -334831.4856 21930.8375 0.0000 0.0000 44220.2169 -222446.1645 160.8610 -266666.3814 -222055.6584 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9160 20375.7515 5700.1930 187.9286 -335513.7451 21959.1258 0.0000 0.0000 44823.5378 -222504.2925 163.0557 -267327.8302 -222075.9875 163.0557 -2903.2124 -2658.6180 921491.4634 -2903.2124 -2658.6180
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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 22620.1932 19450.9167 5690.3173 187.1618 -336650.6776 22028.8072 0.0000 0.0000 44308.0076 -222365.2739 161.1804 -266673.2814 -222067.0435 161.1804 -3583.3633 -2617.7582 921491.4634 -3583.3633 -2617.7582
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ENERGY: 272 21021.5585 18896.0660 5692.8269 184.9335 -335921.4617 22015.0581 0.0000 0.0000 45607.7077 -222503.3110 165.9083 -268111.0187 -222081.1572 165.9083 -2551.9684 -2501.8804 921491.4634 -2551.9684 -2501.8804
ENERGY: 273 20123.2137 18932.9079 5697.5118 183.8526 -334925.7015 21985.5297 0.0000 0.0000 45502.7162 -222499.9695 165.5264 -268002.6857 -222069.0459 165.5264 -1837.1976 -2434.6760 921491.4634 -1837.1976 -2434.6760
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ENERGY: 276 19401.8503 19594.7507 5701.2547 182.4904 -333292.1283 21971.0411 0.0000 0.0000 44028.5272 -222412.2139 160.1637 -266440.7411 -222072.9393 160.1637 -1580.1300 -2417.6040 921491.4634 -1580.1300 -2417.6040
ENERGY: 277 19149.2972 19724.7159 5695.5210 182.9396 -333864.3454 21997.2388 0.0000 0.0000 44632.8112 -222481.8216 162.3619 -267114.6328 -222061.0986 162.3619 -2311.7544 -2498.0544 921491.4634 -2311.7544 -2498.0544
ENERGY: 278 20199.4576 19713.7760 5686.9122 183.6585 -334821.1003 22041.3360 0.0000 0.0000 44532.2540 -222463.7060 161.9961 -266995.9600 -222063.4130 161.9961 -3254.8155 -2593.7696 921491.4634 -3254.8155 -2593.7696
ENERGY: 279 21984.3648 19593.9431 5677.5176 184.5187 -335888.5801 22096.4201 0.0000 0.0000 43975.0880 -222376.7278 159.9693 -266351.8158 -222065.2022 159.9693 -4044.3211 -2682.8389 921491.4634 -4044.3211 -2682.8389
TIMING: 280 CPU: 132.873, 0.46897/step Wall: 132.873, 0.46897/step, 0.0286593 hours remaining, 3223.730469 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 19615.5379 5669.9796 186.8360 -336942.5036 22176.7656 0.0000 0.0000 45823.3369 -222526.2576 166.6927 -268349.5946 -222063.3315 166.6927 -2992.3271 -2779.3668 921491.4634 -2992.3271 -2779.3668
ENERGY: 283 20432.1062 19966.6615 5678.8137 187.1634 -336251.9203 22171.0650 0.0000 0.0000 45328.8520 -222487.2586 164.8939 -267816.1105 -222060.8458 164.8939 -2008.7737 -2748.2306 921491.4634 -2008.7737 -2748.2306
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ENERGY: 285 20203.3288 20789.9628 5707.3565 186.7145 -334827.1967 22167.0167 0.0000 0.0000 43418.2631 -222354.5543 157.9437 -265772.8173 -222053.5965 157.9437 -1010.8438 -2700.0819 921491.4634 -1010.8438 -2700.0819
ENERGY: 286 19396.6310 20966.5622 5721.5031 185.8230 -334658.1148 22176.6865 0.0000 0.0000 43785.6881 -222425.2210 159.2803 -266210.9091 -222054.0580 159.2803 -1306.7502 -2717.2846 921491.4634 -1306.7502 -2717.2846
ENERGY: 287 19176.1190 20856.7822 5731.9346 184.4714 -334918.1479 22200.2912 0.0000 0.0000 44282.9437 -222485.6057 161.0892 -266768.5494 -222055.7251 161.0892 -2148.9612 -2753.3343 921491.4634 -2148.9612 -2753.3343
ENERGY: 288 20263.2087 20475.2850 5736.9557 182.7335 -335468.3149 22237.9039 0.0000 0.0000 44116.9904 -222455.2376 160.4855 -266572.2280 -222066.9053 160.4855 -3310.5878 -2790.1553 921491.4634 -3310.5878 -2790.1553
ENERGY: 289 21886.4833 19928.6978 5736.1905 180.7560 -336126.9123 22279.0692 0.0000 0.0000 43733.4513 -222382.2642 159.0903 -266115.7155 -222062.2724 159.0903 -4368.9813 -2809.8749 921491.4634 -4368.9813 -2809.8749
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 290 22615.9844 19325.5265 5730.3279 178.6973 -336571.4575 22308.2176 0.0000 0.0000 44027.4235 -222385.2803 160.1597 -266412.7038 -222063.4684 160.1597 -4815.3286 -2796.0390 921491.4634 -4815.3286 -2796.0390
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LDB: ============= START OF LOAD BALANCING ============== 148.333
LDB: Largest compute 200 load 0.522358 is 1.1% of average load 45.728033
LDB: Average compute 0.064066 is 0.1% of average load 45.728033
LDB: TIME 148.335 LOAD: AVG 45.728 MAX 46.986 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.09 MB
LDB: TIME 148.335 LOAD: AVG 45.728 MAX 46.986 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.09 MB
LDB: TIME 148.35 LOAD: AVG 45.728 MAX 46.251 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.09 MB
LDB: ============== END OF LOAD BALANCING =============== 148.351
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.353
Info: Initial time: 4 CPUs 0.469563 s/step 5.43475 days/ns 3224.09 MB memory
TIMING: 300 CPU: 142.256, 0.469124/step Wall: 142.256, 0.469124/step, 0.0260624 hours remaining, 3224.085938 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: 151.477, 0.461053/step Wall: 151.477, 0.461053/step, 0.0230526 hours remaining, 3224.085938 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: 327 20020.7821 19506.2793 5669.7116 187.2139 -334851.2528 22513.0146 0.0000 0.0000 44550.7422 -222403.5091 162.0634 -266954.2513 -222059.8762 162.0634 -657.4991 -2506.5014 921491.4634 -657.4991 -2506.5014
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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: 336 19127.9135 19639.0994 5698.6022 180.2744 -334271.7858 22519.6998 0.0000 0.0000 44649.6647 -222456.5318 162.4232 -267106.1965 -222055.6204 162.4232 -1093.5005 -2488.8701 921491.4634 -1093.5005 -2488.8701
ENERGY: 337 20420.1633 19649.7062 5693.3319 179.7347 -334824.3559 22536.4223 0.0000 0.0000 43995.5996 -222349.3979 160.0439 -266344.9975 -222040.1027 160.0439 -1064.7182 -2460.5859 921491.4634 -1064.7182 -2460.5859
ENERGY: 338 21007.5744 19722.4641 5687.5590 179.5437 -335808.8620 22564.1945 0.0000 0.0000 44285.9172 -222361.6091 161.1000 -266647.5263 -222041.5961 161.1000 -1500.9497 -2462.8575 921491.4634 -1500.9497 -2462.8575
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TIMING: 340 CPU: 160.693, 0.46079/step Wall: 160.693, 0.46079/step, 0.0204796 hours remaining, 3224.085938 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: 344 19898.5080 20447.2065 5699.9573 182.0106 -336095.2677 22596.5929 0.0000 0.0000 44790.9364 -222480.0561 162.9371 -267270.9924 -222071.3579 162.9371 -2338.1161 -2329.7492 921491.4634 -2338.1161 -2329.7492
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ENERGY: 347 20669.8295 19583.9409 5696.3949 182.8447 -334881.4387 22581.1982 0.0000 0.0000 43831.1328 -222336.0977 159.4456 -266167.2304 -222056.9475 159.4456 -1358.8146 -2194.9212 921491.4634 -1358.8146 -2194.9212
ENERGY: 348 21062.2470 19315.9903 5689.3479 182.7918 -335425.6672 22604.2201 0.0000 0.0000 44195.9878 -222375.0823 160.7729 -266571.0700 -222064.0950 160.7729 -1766.2766 -2218.9158 921491.4634 -1766.2766 -2218.9158
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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: 352 22912.9250 19180.1284 5672.7329 182.2243 -336794.7861 22708.6920 0.0000 0.0000 43795.3993 -222342.6842 159.3156 -266138.0835 -222059.3898 159.3156 -3190.0137 -2394.0290 921491.4634 -3190.0137 -2394.0290
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ENERGY: 356 19622.4372 20015.8109 5694.4280 181.9402 -334758.7696 22674.4079 0.0000 0.0000 44153.0887 -222416.6567 160.6168 -266569.7454 -222053.0964 160.6168 -1622.0264 -2446.8266 921491.4634 -1622.0264 -2446.8266
ENERGY: 357 20687.2712 20255.1054 5697.1707 182.0215 -335288.0648 22700.2948 0.0000 0.0000 43438.0180 -222328.1833 158.0156 -265766.2012 -222042.2332 158.0156 -2061.3607 -2486.6663 921491.4634 -2061.3607 -2486.6663
ENERGY: 358 20785.4065 20424.8427 5696.9832 182.1295 -336225.9481 22730.2418 0.0000 0.0000 44019.5825 -222386.7618 160.1311 -266406.3443 -222043.9947 160.1311 -2636.8580 -2541.3593 921491.4634 -2636.8580 -2541.3593
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TIMING: 360 CPU: 169.903, 0.460527/step Wall: 169.903, 0.460527/step, 0.0179094 hours remaining, 3224.085938 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: 377 20646.4608 20251.1592 5706.5521 182.3248 -335763.5803 22794.3775 0.0000 0.0000 43848.2755 -222334.4303 159.5080 -266182.7058 -222041.4014 159.5080 -1819.5857 -2472.4985 921491.4634 -1819.5857 -2472.4985
ENERGY: 378 20473.8098 20495.6593 5711.4639 183.2952 -336584.2279 22821.5839 0.0000 0.0000 44474.7537 -222423.6622 161.7869 -266898.4159 -222044.3968 161.7869 -2972.9871 -2523.3498 921491.4634 -2972.9871 -2523.3498
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TIMING: 380 CPU: 179.106, 0.460124/step Wall: 179.106, 0.460124/step, 0.0153375 hours remaining, 3224.085938 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: 383 21263.6994 19910.9244 5714.6670 180.7420 -337128.0228 22911.2847 0.0000 0.0000 44707.9443 -222438.7611 162.6352 -267146.7054 -222048.1879 162.6352 -2023.0802 -2294.0130 921491.4634 -2023.0802 -2294.0130
ENERGY: 384 19625.4115 19596.0352 5710.5349 179.0647 -336052.0489 22884.2536 0.0000 0.0000 45539.1832 -222517.5659 165.6590 -268056.7491 -222062.0927 165.6590 -569.2380 -2166.9357 921491.4634 -569.2380 -2166.9357
ENERGY: 385 19327.8183 19356.8911 5707.7751 177.4354 -335210.6404 22871.6145 0.0000 0.0000 45299.7170 -222469.3890 164.7879 -267769.1060 -222051.0994 164.7879 215.3513 -2064.3636 921491.4634 215.3513 -2064.3636
ENERGY: 386 19981.2275 19220.9464 5707.6637 175.9384 -334865.1821 22880.7959 0.0000 0.0000 44519.8584 -222378.7517 161.9510 -266898.6101 -222051.0438 161.9510 122.6669 -2011.2427 921491.4634 122.6669 -2011.2427
ENERGY: 387 20367.2861 19202.4845 5710.9354 174.6759 -335109.8729 22905.2745 0.0000 0.0000 44377.1815 -222372.0350 161.4320 -266749.2165 -222053.0051 161.4320 -738.9585 -2019.1688 921491.4634 -738.9585 -2019.1688
ENERGY: 388 20282.3986 19280.0169 5717.2934 173.7038 -335824.1519 22938.2902 0.0000 0.0000 44972.7760 -222459.6730 163.5986 -267432.4491 -222067.4816 163.5986 -2063.8552 -2076.2820 921491.4634 -2063.8552 -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: 397 19906.7784 20200.7710 5721.4919 176.2273 -336102.8174 22990.0375 0.0000 0.0000 44712.8674 -222394.6439 162.6531 -267107.5113 -222042.6597 162.6531 -376.0863 -2327.2101 921491.4634 -376.0863 -2327.2101
ENERGY: 398 19692.8114 20133.3590 5716.9814 176.0456 -336812.3375 23014.0585 0.0000 0.0000 45592.7322 -222486.3494 165.8538 -268079.0816 -222045.7220 165.8538 -1710.2236 -2443.6965 921491.4634 -1710.2236 -2443.6965
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LDB: ============= START OF LOAD BALANCING ============== 194.409
LDB: Largest compute 230 load 0.528005 is 1.2% of average load 45.638292
LDB: Average compute 0.063913 is 0.1% of average load 45.638292
LDB: TIME 194.411 LOAD: AVG 45.6383 MAX 46.0564 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.09 MB
LDB: TIME 194.411 LOAD: AVG 45.6383 MAX 46.0564 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.09 MB
LDB: TIME 194.412 LOAD: AVG 45.6383 MAX 46.0564 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.09 MB
LDB: ============== END OF LOAD BALANCING =============== 194.412
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.413
Info: Benchmark time: 4 CPUs 0.460508 s/step 5.32996 days/ns 3224.09 MB memory
TIMING: 400 CPU: 188.311, 0.460254/step Wall: 188.311, 0.460254/step, 0.0127848 hours remaining, 3224.085938 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 19778.4825 5715.7218 174.2695 -337239.9784 23077.8401 0.0000 0.0000 45225.5965 -222483.0985 164.5183 -267708.6950 -222046.6855 164.5183 -3613.5980 -2605.7429 921491.4634 -3613.5980 -2605.7429
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ENERGY: 408 19735.8469 19387.6645 5692.2152 187.5226 -335902.8222 23017.8172 0.0000 0.0000 45394.4126 -222487.3432 165.1324 -267881.7558 -222063.5312 165.1324 -920.8281 -2294.1557 921491.4634 -920.8281 -2294.1557
ENERGY: 409 20350.1186 19376.4609 5688.4775 191.1592 -336896.6850 23057.9921 0.0000 0.0000 45733.6063 -222498.8704 166.3663 -268232.4768 -222051.6705 166.3663 -2367.4920 -2346.9326 921491.4634 -2367.4920 -2346.9326
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 410 21850.5210 19470.1804 5687.6649 194.4179 -337813.1850 23106.2027 0.0000 0.0000 45077.0720 -222427.1261 163.9780 -267504.1981 -222054.6428 163.9780 -3838.6211 -2402.0241 921491.4634 -3838.6211 -2402.0241
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ENERGY: 413 21130.1418 20138.5250 5699.9334 199.7191 -337872.5329 23125.1115 0.0000 0.0000 45113.2150 -222465.8871 164.1095 -267579.1022 -222055.3455 164.1095 -3850.6272 -2398.9550 921491.4634 -3850.6272 -2398.9550
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ENERGY: 416 19942.3173 20661.9895 5710.0857 195.6953 -336157.5870 23063.1715 0.0000 0.0000 44200.2855 -222384.0422 160.7885 -266584.3277 -222052.9645 160.7885 -282.7616 -2224.6898 921491.4634 -282.7616 -2224.6898
ENERGY: 417 20031.3750 20631.3208 5709.0494 192.4696 -336373.1082 23072.1098 0.0000 0.0000 44338.4625 -222398.3210 161.2911 -266736.7836 -222044.6994 161.2911 -112.4554 -2227.1700 921491.4634 -112.4554 -2227.1700
ENERGY: 418 20154.6647 20457.0907 5705.5847 188.6536 -336970.7873 23098.6726 0.0000 0.0000 44915.1429 -222450.9779 163.3889 -267366.1208 -222046.7094 163.3889 -671.8546 -2269.9922 921491.4634 -671.8546 -2269.9922
ENERGY: 419 20790.7630 20185.5521 5700.4811 184.6055 -337717.8761 23139.8024 0.0000 0.0000 45250.3107 -222466.3614 164.6082 -267716.6721 -222049.5951 164.6082 -1783.9421 -2336.6465 921491.4634 -1783.9421 -2336.6465
TIMING: 420 CPU: 197.492, 0.459084/step Wall: 197.492, 0.459084/step, 0.0102019 hours remaining, 3224.085938 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: 432 21768.3704 20188.6724 5710.3547 168.1086 -338651.2106 23176.0851 0.0000 0.0000 45177.9908 -222461.6286 164.3451 -267639.6194 -222065.9059 164.3451 -3350.2741 -2296.1496 921491.4634 -3350.2741 -2296.1496
ENERGY: 433 21200.9073 20275.9663 5710.3763 168.4633 -338164.0642 23162.2916 0.0000 0.0000 45192.9282 -222453.1312 164.3995 -267646.0594 -222052.5983 164.3995 -3187.3733 -2272.1275 921491.4634 -3187.3733 -2272.1275
ENERGY: 434 20730.3415 20338.1499 5711.6061 169.3247 -337394.2708 23140.7741 0.0000 0.0000 44883.0994 -222420.9752 163.2724 -267304.0746 -222051.1463 163.2724 -2694.3108 -2227.7884 921491.4634 -2694.3108 -2227.7884
ENERGY: 435 20235.2204 20362.4014 5714.0003 170.8455 -336680.6558 23123.4103 0.0000 0.0000 44675.9834 -222398.7945 162.5189 -267074.7779 -222049.5889 162.5189 -2061.3583 -2179.8950 921491.4634 -2061.3583 -2179.8950
ENERGY: 436 19670.9244 20349.9980 5717.2345 173.0864 -336303.8814 23119.9084 0.0000 0.0000 44847.0980 -222425.6316 163.1414 -267272.7295 -222059.6958 163.1414 -1520.6597 -2145.1615 921491.4634 -1520.6597 -2145.1615
ENERGY: 437 19434.5515 20329.5091 5720.9893 175.9827 -336411.9787 23136.3875 0.0000 0.0000 45159.2686 -222455.2900 164.2770 -267614.5586 -222050.7501 164.2770 -1319.1166 -2134.4846 921491.4634 -1319.1166 -2134.4846
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TIMING: 440 CPU: 206.665, 0.458626/step Wall: 206.665, 0.458626/step, 0.00764376 hours remaining, 3224.085938 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 22071.5685 20036.2374 5729.7527 186.7201 -338123.1814 23276.2494 0.0000 0.0000 44417.5456 -222405.1078 161.5788 -266822.6534 -222059.4772 161.5788 -2408.4608 -2197.9669 921491.4634 -2408.4608 -2197.9669
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ENERGY: 442 21853.6119 19664.5354 5729.4854 192.9411 -338090.1544 23327.1576 0.0000 0.0000 44880.6317 -222441.7912 163.2634 -267322.4229 -222049.7754 163.2634 -2710.5574 -2229.0693 921491.4634 -2710.5574 -2229.0693
ENERGY: 443 21064.3317 19487.0728 5727.6164 194.9329 -337369.3162 23320.0167 0.0000 0.0000 45118.1104 -222457.2353 164.1273 -267575.3456 -222048.5994 164.1273 -2448.1647 -2220.3528 921491.4634 -2448.1647 -2220.3528
ENERGY: 444 20449.3366 19357.2695 5725.4095 195.8735 -336464.1937 23301.5285 0.0000 0.0000 44987.7172 -222447.0590 163.6530 -267434.7761 -222057.9799 163.6530 -2090.2100 -2206.4397 921491.4634 -2090.2100 -2206.4397
ENERGY: 445 20125.5611 19307.2522 5723.6513 195.6942 -335759.3927 23283.8148 0.0000 0.0000 44708.7148 -222414.7043 162.6380 -267123.4191 -222046.5430 162.6380 -1846.9626 -2201.6923 921491.4634 -1846.9626 -2201.6923
ENERGY: 446 19947.6806 19324.9009 5722.5430 194.3235 -335494.5719 23276.0460 0.0000 0.0000 44620.2939 -222408.7841 162.3164 -267029.0780 -222046.1622 162.3164 -1800.7517 -2216.7291 921491.4634 -1800.7517 -2216.7291
ENERGY: 447 19914.2846 19416.0212 5722.2107 191.8641 -335769.4408 23282.7467 0.0000 0.0000 44816.5082 -222425.8052 163.0301 -267242.3134 -222046.8345 163.0301 -1993.3109 -2253.0600 921491.4634 -1993.3109 -2253.0600
ENERGY: 448 20187.5919 19583.6801 5722.5764 188.5554 -336503.1802 23303.8913 0.0000 0.0000 45065.6667 -222451.2183 163.9365 -267516.8850 -222059.3479 163.9365 -2372.1872 -2303.7894 921491.4634 -2372.1872 -2303.7894
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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: 450 21754.4854 20108.1299 5724.4776 181.0897 -338419.3246 23364.6252 0.0000 0.0000 44854.3084 -222432.2084 163.1676 -267286.5168 -222048.7859 163.1676 -3116.6751 -2394.3892 921491.4634 -3116.6751 -2394.3892
ENERGY: 451 22355.5903 20357.7254 5724.7144 177.6517 -338952.0905 23381.8016 0.0000 0.0000 44542.6974 -222411.9098 162.0341 -266954.6072 -222048.8244 162.0341 -3074.2528 -2405.7794 921491.4634 -3074.2528 -2405.7794
ENERGY: 452 22246.2015 20536.0132 5723.8953 174.8859 -338927.1536 23378.0952 0.0000 0.0000 44452.9185 -222415.1440 161.7075 -266868.0625 -222059.6371 161.7075 -2659.9603 -2384.7565 921491.4634 -2659.9603 -2384.7565
ENERGY: 453 21399.8727 20641.1308 5722.2878 173.1350 -338392.7933 23354.5915 0.0000 0.0000 44683.7023 -222418.0731 162.5470 -267101.7754 -222043.5372 162.5470 -2048.3337 -2342.4665 921491.4634 -2048.3337 -2342.4665
ENERGY: 454 20248.3384 20654.1370 5720.2217 172.3637 -337567.1415 23320.6909 0.0000 0.0000 45008.1455 -222443.2442 163.7273 -267451.3897 -222041.8392 163.7273 -1453.4578 -2293.1447 921491.4634 -1453.4578 -2293.1447
ENERGY: 455 19486.7910 20584.7117 5718.4844 172.5169 -336790.6454 23290.4030 0.0000 0.0000 45086.5780 -222451.1604 164.0126 -267537.7383 -222040.8571 164.0126 -1151.8824 -2255.8569 921491.4634 -1151.8824 -2255.8569
ENERGY: 456 19493.3723 20440.6797 5717.7556 173.4248 -336350.1074 23274.9638 0.0000 0.0000 44811.4720 -222438.4393 163.0118 -267249.9113 -222055.3484 163.0118 -1305.5003 -2245.5820 921491.4634 -1305.5003 -2245.5820
ENERGY: 457 20047.4928 20251.9433 5718.5580 174.9241 -336395.8164 23277.8280 0.0000 0.0000 44521.8703 -222403.2000 161.9583 -266925.0703 -222049.4130 161.9583 -1906.4162 -2263.5010 921491.4634 -1906.4162 -2263.5010
ENERGY: 458 20585.8433 20019.2722 5720.7061 176.6081 -336835.0959 23294.7178 0.0000 0.0000 44632.7887 -222405.1597 162.3618 -267037.9484 -222051.2820 162.3618 -2684.6984 -2301.0425 921491.4634 -2684.6984 -2301.0425
ENERGY: 459 20903.4945 19784.9691 5724.0021 178.1985 -337468.1645 23318.6987 0.0000 0.0000 45113.9366 -222444.8650 164.1121 -267558.8016 -222053.1409 164.1121 -3350.5829 -2341.5795 921491.4634 -3350.5829 -2341.5795
TIMING: 460 CPU: 215.832, 0.458359/step Wall: 215.832, 0.458359/step, 0.00509288 hours remaining, 3224.085938 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 21262.6139 19597.9067 5728.0971 179.4910 -338014.3774 23341.8004 0.0000 0.0000 45423.8565 -222480.6117 165.2395 -267904.4682 -222064.6836 165.2395 -3669.8200 -2365.2412 921491.4634 -3669.8200 -2365.2412
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ENERGY: 462 22264.2256 19487.8114 5736.4822 180.9531 -337988.7180 23351.1087 0.0000 0.0000 44559.9294 -222408.2075 162.0968 -266968.1369 -222056.7215 162.0968 -2954.8201 -2323.4252 921491.4634 -2954.8201 -2323.4252
ENERGY: 463 21821.1794 19513.9021 5738.9361 181.1160 -337284.1040 23326.9478 0.0000 0.0000 44313.4574 -222388.5653 161.2002 -266702.0226 -222054.6243 161.2002 -2012.4427 -2264.0779 921491.4634 -2012.4427 -2264.0779
ENERGY: 464 20535.2465 19559.9276 5739.2518 181.0096 -336389.3848 23291.1941 0.0000 0.0000 44654.0270 -222428.7283 162.4391 -267082.7552 -222058.5727 162.4391 -1050.9229 -2205.5269 921491.4634 -1050.9229 -2205.5269
ENERGY: 465 19322.7831 19631.8856 5737.2898 180.7155 -335701.1541 23259.7390 0.0000 0.0000 45094.5692 -222474.1718 164.0416 -267568.7410 -222052.9386 164.0416 -512.3349 -2174.4009 921491.4634 -512.3349 -2174.4009
ENERGY: 466 19088.4512 19708.3582 5733.2107 180.2808 -335443.7730 23245.0601 0.0000 0.0000 45020.7914 -222467.6205 163.7733 -267488.4119 -222052.9784 163.7733 -630.3316 -2182.6711 921491.4634 -630.3316 -2182.6711
ENERGY: 467 19841.8069 19783.1742 5727.6704 179.7757 -335721.0952 23249.4527 0.0000 0.0000 44523.6672 -222415.5481 161.9649 -266939.2153 -222054.3493 161.9649 -1393.6030 -2232.5925 921491.4634 -1393.6030 -2232.5925
ENERGY: 468 20761.8482 19845.4941 5721.5089 179.2779 -336451.5666 23265.8122 0.0000 0.0000 44291.6591 -222385.9663 161.1209 -266677.6254 -222056.3591 161.1209 -2508.6714 -2314.1341 921491.4634 -2508.6714 -2314.1341
ENERGY: 469 21236.3017 19910.2020 5715.6824 178.8504 -337458.3199 23284.3957 0.0000 0.0000 44720.3205 -222412.5672 162.6802 -267132.8877 -222046.0750 162.6802 -3596.7406 -2405.7974 921491.4634 -3596.7406 -2405.7974
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 19972.8932 5710.9491 178.5947 -338383.2503 23297.0668 0.0000 0.0000 45346.4576 -222466.1156 164.9579 -267812.5733 -222047.6088 164.9579 -4259.6996 -2477.6833 921491.4634 -4259.6996 -2477.6833
ENERGY: 471 21732.8678 20054.6831 5707.9626 178.5890 -338913.2446 23297.5080 0.0000 0.0000 45471.3369 -222470.2970 165.4122 -267941.6340 -222047.5359 165.4122 -4290.5685 -2504.3177 921491.4634 -4290.5685 -2504.3177
ENERGY: 472 22081.2361 20161.5546 5707.0091 178.9047 -338870.6761 23279.4486 0.0000 0.0000 45028.5300 -222433.9930 163.8014 -267462.5230 -222059.5059 163.8014 -3659.7363 -2479.9186 921491.4634 -3659.7363 -2479.9186
ENERGY: 473 21866.1363 20289.3420 5707.9843 179.6165 -338307.7184 23240.7358 0.0000 0.0000 44634.5176 -222389.3860 162.3681 -267023.9036 -222043.8540 162.3681 -2556.3619 -2408.1660 921491.4634 -2556.3619 -2408.1660
ENERGY: 474 20842.9706 20372.0979 5710.2160 180.7466 -337438.4544 23189.2342 0.0000 0.0000 44733.2307 -222409.9582 162.7272 -267143.1890 -222041.2621 162.7272 -1295.5529 -2316.2731 921491.4634 -1295.5529 -2316.2731
ENERGY: 475 19674.2082 20371.7666 5712.9876 182.2512 -336604.2303 23142.3812 0.0000 0.0000 45070.2139 -222450.4217 163.9531 -267520.6356 -222039.4531 163.9531 -344.6453 -2232.2128 921491.4634 -344.6453 -2232.2128
ENERGY: 476 19235.7862 20282.0268 5715.7683 184.0125 -336100.0892 23115.8460 0.0000 0.0000 45106.0633 -222460.5862 164.0835 -267566.6494 -222053.6138 164.0835 -92.4053 -2183.0655 921491.4634 -92.4053 -2183.0655
ENERGY: 477 19704.7249 20145.9809 5718.4976 185.9230 -336101.8778 23114.2933 0.0000 0.0000 44812.3206 -222420.1375 163.0149 -267232.4581 -222044.8411 163.0149 -667.4948 -2171.8230 921491.4634 -667.4948 -2171.8230
ENERGY: 478 20493.4777 19974.7636 5721.0254 187.7262 -336537.4025 23131.2454 0.0000 0.0000 44627.0328 -222402.1315 162.3409 -267029.1642 -222047.4107 162.3409 -1807.1606 -2198.7958 921491.4634 -1807.1606 -2198.7958
ENERGY: 479 21125.3059 19793.3956 5723.3295 189.2099 -337215.5827 23156.6765 0.0000 0.0000 44802.1571 -222425.5083 162.9779 -267227.6653 -222050.5460 162.9779 -3089.8517 -2246.7920 921491.4634 -3089.8517 -2246.7920
TIMING: 480 CPU: 225, 0.4584/step Wall: 225, 0.4584/step, 0.00254667 hours remaining, 3224.085938 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 19623.1965 5725.3111 190.1901 -337854.6772 23181.5112 0.0000 0.0000 45051.6807 -222458.7548 163.8856 -267510.4355 -222064.6207 163.8856 -4077.7325 -2291.4892 921491.4634 -4077.7325 -2291.4892
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ENERGY: 482 22186.3466 19466.6796 5728.4964 190.3598 -338044.5408 23192.7468 0.0000 0.0000 44865.8518 -222414.0598 163.2096 -267279.9116 -222051.4110 163.2096 -4059.3097 -2278.0616 921491.4634 -4059.3097 -2278.0616
ENERGY: 483 21553.1412 19511.5747 5729.5660 189.3226 -337426.2177 23165.8734 0.0000 0.0000 44861.8969 -222414.8428 163.1953 -267276.7396 -222048.7670 163.1953 -2964.1723 -2216.4117 921491.4634 -2964.1723 -2216.4117
ENERGY: 484 20460.8927 19631.1941 5730.2465 187.5455 -336590.8883 23126.1346 0.0000 0.0000 45003.6032 -222451.2718 163.7107 -267454.8750 -222059.8743 163.7107 -1565.2428 -2143.1852 921491.4634 -1565.2428 -2143.1852
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ENERGY: 486 19602.5428 19954.8178 5729.7197 182.4662 -335612.3571 23080.3803 0.0000 0.0000 44645.9120 -222416.5183 162.4096 -267062.4303 -222044.6761 162.4096 87.3177 -2070.0984 921491.4634 87.3177 -2070.0984
ENERGY: 487 19881.0926 20072.0215 5727.4347 179.4360 -335846.4487 23091.0541 0.0000 0.0000 44503.3498 -222392.0601 161.8910 -266895.4099 -222045.2408 161.8910 -192.2350 -2106.8843 921491.4634 -192.2350 -2106.8843
ENERGY: 488 20125.2099 20156.1363 5723.5441 176.4338 -336552.5455 23118.8614 0.0000 0.0000 44827.0562 -222425.3039 163.0685 -267252.3601 -222057.1936 163.0685 -1145.7535 -2194.6681 921491.4634 -1145.7535 -2194.6681
ENERGY: 489 20526.8873 20236.4609 5718.5748 173.8639 -337540.4659 23156.7308 0.0000 0.0000 45266.1010 -222461.8471 164.6656 -267727.9481 -222045.6084 164.6656 -2511.2404 -2316.7067 921491.4634 -2511.2404 -2316.7067
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7491 20292.9020 5712.8912 171.8438 -338458.1365 23196.4876 0.0000 0.0000 45213.5636 -222459.6991 164.4745 -267673.2627 -222048.2206 164.4745 -3823.4038 -2437.4155 921491.4634 -3823.4038 -2437.4155
ENERGY: 491 22430.4641 20312.1357 5707.3795 170.5404 -338984.5798 23226.0937 0.0000 0.0000 44733.0098 -222404.9566 162.7264 -267137.9664 -222049.4636 162.7264 -4629.6933 -2524.6215 921491.4634 -4629.6933 -2524.6215
ENERGY: 492 22612.9548 20289.6806 5702.9944 170.0208 -338937.5822 23232.7206 0.0000 0.0000 44542.1959 -222387.0151 162.0323 -266929.2110 -222060.3860 162.0323 -4606.8524 -2557.4730 921491.4634 -4606.8524 -2557.4730
ENERGY: 493 21558.2190 20260.7369 5700.7779 170.3201 -338358.0639 23214.0538 0.0000 0.0000 45033.8237 -222420.1326 163.8207 -267453.9563 -222046.5901 163.8207 -3796.3820 -2540.0996 921491.4634 -3796.3820 -2540.0996
ENERGY: 494 20068.3368 20225.0257 5700.9805 171.2193 -337454.3839 23183.0797 0.0000 0.0000 45622.2479 -222483.4940 165.9612 -268105.7419 -222044.0868 165.9612 -2500.8994 -2482.1068 921491.4634 -2500.8994 -2482.1068
ENERGY: 495 19383.2465 20186.8298 5703.5926 172.5416 -336566.9889 23159.4627 0.0000 0.0000 45484.1232 -222477.1925 165.4587 -267961.3157 -222041.5564 165.4587 -1249.6839 -2407.3055 921491.4634 -1249.6839 -2407.3055
ENERGY: 496 19722.4835 20130.6471 5708.0350 174.0933 -335998.7156 23154.2638 0.0000 0.0000 44699.5268 -222409.6660 162.6046 -267109.1927 -222049.0670 162.6046 -478.8999 -2343.4750 921491.4634 -478.8999 -2343.4750
ENERGY: 497 20212.6669 20059.9177 5713.4613 175.7242 -335952.5040 23166.3549 0.0000 0.0000 44261.0281 -222363.3510 161.0095 -266624.3792 -222042.7500 161.0095 -421.0231 -2316.7926 921491.4634 -421.0231 -2316.7926
ENERGY: 498 20182.0166 19957.1217 5718.5596 177.2604 -336366.4928 23189.3588 0.0000 0.0000 44728.2523 -222413.9233 162.7091 -267142.1757 -222044.5220 162.7091 -993.4677 -2331.6471 921491.4634 -993.4677 -2331.6471
ENERGY: 499 20158.0678 19847.7311 5722.4089 178.6361 -337058.4816 23219.2407 0.0000 0.0000 45439.2630 -222493.1339 165.2956 -267932.3969 -222047.2062 165.2956 -2020.8683 -2376.3388 921491.4634 -2020.8683 -2376.3388
Info: Benchmark time: 4 CPUs 0.457834 s/step 5.299 days/ns 3224.09 MB memory
TIMING: 500 CPU: 234.094, 0.454707/step Wall: 234.094, 0.454707/step, 0 hours remaining, 3224.085938 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 20974.8935 19756.6586 5724.4523 179.8271 -337741.4183 23251.1012 0.0000 0.0000 45359.0762 -222495.4093 165.0039 -267854.4856 -222061.0911 165.0039 -3197.5164 -2425.4141 921491.4634 -3197.5164 -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, 3229.379 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.379 MB of memory in use
====================================================
WallClock: 241.082184 CPUTime: 241.082184 Memory: 3229.378906 MB
[Partition 0][Node 0] End of program
Application 1109804 resources: utime ~948s, stime ~19s, Rss ~127072, inblocks ~66551, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.082184
CPU=241.082184
MEM=3229.378906
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 14 02:50 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 14 02:50 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 14 02:50 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 14 02:49 status
-rwxr-xr-x 1 bwjenkins BW_System 189474 Dec 14 02:49 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 14 02:45 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 14 02:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 14 02:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 14 02:22 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 14 02:22 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 14 02:22 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 14 02:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 14 02:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 14 02:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 14 02:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 14 02:21 retest
drwxr-xr-x 12 bwjenkins BW_System 4096 Sep 8 2010 tcl8.5.9
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins10734969539175221546.sh
+ rm -rf /var/lib/jenkins/jobs/NAMD/workspace/cputime /var/lib/jenkins/jobs/NAMD/workspace/memory /var/lib/jenkins/jobs/NAMD/workspace/namd /var/lib/jenkins/jobs/NAMD/workspace/wallclock
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD/workspace
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD/workspace
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD/workspace/memory
Finished: SUCCESS
![[Jenkins]](/static/755cd4af/images/svgs/logo.svg){kind=logo}
