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 ============== 54.2142
LDB: Largest compute 200 load 0.432012 is 1.2% of average load 36.821154
LDB: Average compute 0.051586 is 0.1% of average load 36.821154
LDB: Partitioning computes with target load 3.682115
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055571
LDB: ============== END OF LOAD BALANCING =============== 54.2163
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.2172
Info: Initial time: 4 CPUs 0.473439 s/step 5.47962 days/ns 3221.55 MB memory
TIMING: 100 CPU: 48.3146, 0.472408/step Wall: 48.3146, 0.472408/step, 0.0524897 hours remaining, 3221.546875 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 ============== 63.648
LDB: ============== END OF LOAD BALANCING =============== 63.6481
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.6485
TIMING: 120 CPU: 57.7456, 0.471549/step Wall: 57.7456, 0.471549/step, 0.0497746 hours remaining, 3221.746094 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 19195.4801 5730.8549 192.8766 -333203.4341 21083.5324 0.0000 0.0000 42784.9639 -222340.8737 155.6399 -265125.8376 -222213.1813 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.1683, 0.471136/step Wall: 67.1683, 0.471136/step, 0.0471136 hours remaining, 3221.917969 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 -334899.3753 20845.5771 0.0000 0.0000 44606.5898 -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: 76.5838, 0.470774/step Wall: 76.5838, 0.470774/step, 0.044462 hours remaining, 3222.082031 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: 180 CPU: 85.9856, 0.470091/step Wall: 85.9856, 0.470091/step, 0.0417858 hours remaining, 3222.222656 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 ============== 101.292
LDB: Largest compute 200 load 0.427079 is 1.2% of average load 36.639951
LDB: Average compute 0.051325 is 0.1% of average load 36.639951
LDB: TIME 101.294 LOAD: AVG 36.64 MAX 37.6432 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.53 MB
LDB: TIME 101.296 LOAD: AVG 36.64 MAX 37.4949 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.53 MB
LDB: ============== END OF LOAD BALANCING =============== 101.298
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.301
Info: Initial time: 4 CPUs 0.470703 s/step 5.44795 days/ns 3223.46 MB memory
TIMING: 200 CPU: 95.3948, 0.470459/step Wall: 95.3948, 0.470459/step, 0.0392049 hours remaining, 3223.464844 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: 220 CPU: 104.809, 0.470713/step Wall: 104.809, 0.470713/step, 0.036611 hours remaining, 3223.464844 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: 114.216, 0.470344/step Wall: 114.216, 0.470344/step, 0.0339693 hours remaining, 3223.464844 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 -335904.8196 21831.0567 0.0000 0.0000 43526.8720 -222396.7194 158.3388 -265923.5914 -222063.5735 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
ENERGY: 243 19462.3621 19969.6446 5749.3614 168.8705 -335233.7069 21770.4748 0.0000 0.0000 45537.0691 -222575.9245 165.6513 -268112.9935 -222061.6673 165.6513 -3760.4506 -2614.6992 921491.4634 -3760.4506 -2614.6992
ENERGY: 244 18822.2464 19849.3935 5737.4544 169.6534 -334482.6011 21720.5676 0.0000 0.0000 45629.1664 -222554.1194 165.9864 -268183.2858 -222078.7771 165.9864 -2667.7299 -2573.2150 921491.4634 -2667.7299 -2573.2150
ENERGY: 245 20148.2368 19811.7601 5725.7785 171.4559 -334087.5948 21701.2470 0.0000 0.0000 44168.5249 -222360.5917 160.6730 -266529.1166 -222068.6365 160.6730 -1771.6902 -2533.5455 921491.4634 -1771.6902 -2533.5455
ENERGY: 246 20878.5482 19853.7026 5716.8932 174.1558 -334213.1207 21705.0850 0.0000 0.0000 43600.4182 -222284.3178 158.6063 -265884.7360 -222067.4295 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5287 19979.6441 5712.7400 177.5412 -334802.1843 21719.8454 0.0000 0.0000 44912.1911 -222431.6937 163.3782 -267343.8848 -222068.1394 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4924 20164.4297 5713.8450 181.3144 -335623.1354 21746.4310 0.0000 0.0000 46185.9363 -222595.6866 168.0117 -268781.6228 -222090.3128 168.0117 -1359.1246 -2608.3066 921491.4634 -1359.1246 -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 21994.9043 20013.1598 5733.2541 193.8023 -336093.2677 21826.9295 0.0000 0.0000 43905.3720 -222425.8457 159.7157 -266331.2177 -222091.3306 159.7157 -3843.4682 -2758.0339 921491.4634 -3843.4682 -2758.0339
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ENERGY: 255 20324.2311 19109.4101 5707.6062 196.0620 -333099.9233 21746.1514 0.0000 0.0000 43667.4212 -222349.0411 158.8501 -266016.4623 -222078.3976 158.8501 -2282.5426 -2662.7814 921491.4634 -2282.5426 -2662.7814
ENERGY: 256 20899.4410 18950.9578 5693.4518 195.6570 -332975.5972 21757.6847 0.0000 0.0000 43181.1611 -222297.2438 157.0812 -265478.4049 -222071.2740 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5653 18878.1873 5681.1759 194.7976 -333481.0038 21780.2419 0.0000 0.0000 44488.5468 -222428.4891 161.8371 -266917.0359 -222060.1684 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5866 18882.0666 5673.2911 193.6684 -334373.1544 21817.5077 0.0000 0.0000 45796.2578 -222556.7762 166.5942 -268353.0341 -222062.0608 166.5942 -2331.2327 -2737.1920 921491.4634 -2331.2327 -2737.1920
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TIMING: 260 CPU: 123.613, 0.469879/step Wall: 123.613, 0.469879/step, 0.0313252 hours remaining, 3223.769531 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 20140.5624 5703.8103 187.9445 -335614.9714 21924.4739 0.0000 0.0000 45349.7770 -222527.2805 164.9700 -267877.0575 -222051.1548 164.9700 -2647.8116 -2773.3903 921491.4634 -2647.8116 -2773.3903
ENERGY: 264 19385.2260 20436.4307 5710.6950 187.5052 -334855.9512 21907.7772 0.0000 0.0000 44751.4783 -222476.8389 162.7936 -267228.3172 -222069.1983 162.7936 -2191.1927 -2723.5294 921491.4634 -2191.1927 -2723.5294
ENERGY: 265 19946.8415 20681.9927 5713.6241 187.4392 -334395.6633 21906.0163 0.0000 0.0000 43607.6373 -222352.1121 158.6326 -265959.7494 -222054.3372 158.6326 -2038.0574 -2683.6035 921491.4634 -2038.0574 -2683.6035
ENERGY: 266 20048.7900 20788.8702 5712.1327 187.6137 -334399.4578 21914.4804 0.0000 0.0000 43399.3795 -222348.1912 157.8750 -265747.5707 -222054.3635 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0906 20691.2679 5707.0583 187.8501 -334831.4855 21930.8374 0.0000 0.0000 44220.2168 -222446.1646 160.8610 -266666.3813 -222055.6585 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9159 20375.7515 5700.1930 187.9286 -335513.7449 21959.1257 0.0000 0.0000 44823.5377 -222504.2924 163.0557 -267327.8301 -222075.9875 163.0557 -2903.2124 -2658.6181 921491.4634 -2903.2124 -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 19450.9166 5690.3173 187.1618 -336650.6773 22028.8070 0.0000 0.0000 44308.0076 -222365.2738 161.1804 -266673.2814 -222067.0434 161.1804 -3583.3633 -2617.7583 921491.4634 -3583.3633 -2617.7583
ENERGY: 271 22345.5823 19078.8064 5690.0209 186.1610 -336571.7890 22035.2500 0.0000 0.0000 44829.4472 -222406.5212 163.0772 -267235.9683 -222066.8386 163.0772 -3261.2174 -2569.2622 921491.4634 -3261.2174 -2569.2622
ENERGY: 272 21021.5585 18896.0661 5692.8269 184.9335 -335921.4614 22015.0579 0.0000 0.0000 45607.7075 -222503.3111 165.9083 -268111.0186 -222081.1573 165.9083 -2551.9684 -2501.8805 921491.4634 -2551.9684 -2501.8805
ENERGY: 273 20123.2136 18932.9080 5697.5118 183.8526 -334925.7011 21985.5295 0.0000 0.0000 45502.7160 -222499.9696 165.5264 -268002.6856 -222069.0460 165.5264 -1837.1976 -2434.6760 921491.4634 -1837.1976 -2434.6760
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ENERGY: 276 19401.8502 19594.7507 5701.2547 182.4904 -333292.1280 21971.0409 0.0000 0.0000 44028.5271 -222412.2141 160.1637 -266440.7412 -222072.9396 160.1637 -1580.1301 -2417.6041 921491.4634 -1580.1301 -2417.6041
ENERGY: 277 19149.2972 19724.7158 5695.5210 182.9396 -333864.3452 21997.2386 0.0000 0.0000 44632.8111 -222481.8219 162.3619 -267114.6330 -222061.0989 162.3619 -2311.7545 -2498.0546 921491.4634 -2311.7545 -2498.0546
ENERGY: 278 20199.4575 19713.7758 5686.9122 183.6585 -334821.1002 22041.3358 0.0000 0.0000 44532.2541 -222463.7063 161.9961 -266995.9604 -222063.4132 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -2593.7697
ENERGY: 279 21984.3647 19593.9430 5677.5176 184.5187 -335888.5800 22096.4198 0.0000 0.0000 43975.0882 -222376.7280 159.9693 -266351.8162 -222065.2025 159.9693 -4044.3212 -2682.8390 921491.4634 -4044.3212 -2682.8390
TIMING: 280 CPU: 133.004, 0.4695/step Wall: 133.004, 0.4695/step, 0.0286917 hours remaining, 3223.769531 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: 285 20203.3287 20789.9631 5707.3565 186.7145 -334827.1968 22167.0165 0.0000 0.0000 43418.2631 -222354.5544 157.9437 -265772.8176 -222053.5966 157.9437 -1010.8439 -2700.0821 921491.4634 -1010.8439 -2700.0821
ENERGY: 286 19396.6310 20966.5624 5721.5031 185.8230 -334658.1150 22176.6862 0.0000 0.0000 43785.6882 -222425.2212 159.2803 -266210.9094 -222054.0582 159.2803 -1306.7503 -2717.2847 921491.4634 -1306.7503 -2717.2847
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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 ============== 148.317
LDB: Largest compute 200 load 0.518682 is 1.1% of average load 45.707887
LDB: Average compute 0.064016 is 0.1% of average load 45.707887
LDB: TIME 148.319 LOAD: AVG 45.7079 MAX 47.0156 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.12 MB
LDB: TIME 148.319 LOAD: AVG 45.7079 MAX 47.0156 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.12 MB
LDB: TIME 148.334 LOAD: AVG 45.7079 MAX 46.2308 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.12 MB
LDB: ============== END OF LOAD BALANCING =============== 148.335
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.336
Info: Initial time: 4 CPUs 0.469835 s/step 5.4379 days/ns 3224.12 MB memory
TIMING: 300 CPU: 142.398, 0.469744/step Wall: 142.398, 0.469744/step, 0.0260969 hours remaining, 3224.121094 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: 151.627, 0.46143/step Wall: 151.627, 0.46143/step, 0.0230715 hours remaining, 3224.121094 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: 160.846, 0.460974/step Wall: 160.846, 0.460974/step, 0.0204877 hours remaining, 3224.121094 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: 170.061, 0.460709/step Wall: 170.061, 0.460709/step, 0.0179164 hours remaining, 3224.121094 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 19323.8975 19612.6018 5699.8913 181.0103 -336175.1995 22790.5191 0.0000 0.0000 46034.3486 -222532.9310 167.4603 -268567.2796 -222068.5915 167.4603 -1420.0425 -2476.3756 921491.4634 -1420.0425 -2476.3756
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ENERGY: 369 20346.9676 19812.6204 5741.6369 179.5048 -336580.3299 22825.3357 0.0000 0.0000 45155.6305 -222518.6339 164.2638 -267674.2645 -222061.1000 164.2638 -3666.9888 -2542.4572 921491.4634 -3666.9888 -2542.4572
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 19884.0273 19962.1764 5703.2010 181.1433 -335321.8627 22772.8700 0.0000 0.0000 44434.3272 -222384.1176 161.6399 -266818.4448 -222050.5530 161.6399 -874.6222 -2439.6902 921491.4634 -874.6222 -2439.6902
ENERGY: 377 20646.4609 20251.1593 5706.5521 182.3248 -335763.5797 22794.3772 0.0000 0.0000 43848.2751 -222334.4303 159.5080 -266182.7054 -222041.4013 159.5080 -1819.5857 -2472.4986 921491.4634 -1819.5857 -2472.4986
ENERGY: 378 20473.8099 20495.6595 5711.4639 183.2952 -336584.2276 22821.5835 0.0000 0.0000 44474.7535 -222423.6621 161.7869 -266898.4156 -222044.3968 161.7869 -2972.9872 -2523.3499 921491.4634 -2972.9872 -2523.3499
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TIMING: 380 CPU: 179.267, 0.46032/step Wall: 179.267, 0.46032/step, 0.015344 hours remaining, 3224.121094 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 19625.4113 19596.0356 5710.5349 179.0647 -336052.0489 22884.2533 0.0000 0.0000 45539.1833 -222517.5658 165.6590 -268056.7492 -222062.0926 165.6590 -569.2382 -2166.9359 921491.4634 -569.2382 -2166.9359
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ENERGY: 386 19981.2274 19220.9464 5707.6637 175.9385 -334865.1818 22880.7956 0.0000 0.0000 44519.8587 -222378.7516 161.9510 -266898.6103 -222051.0438 161.9510 122.6668 -2011.2429 921491.4634 122.6668 -2011.2429
ENERGY: 387 20367.2861 19202.4842 5710.9354 174.6759 -335109.8726 22905.2742 0.0000 0.0000 44377.1818 -222372.0349 161.4320 -266749.2167 -222053.0050 161.4320 -738.9585 -2019.1690 921491.4634 -738.9585 -2019.1690
ENERGY: 388 20282.3987 19280.0164 5717.2934 173.7038 -335824.1516 22938.2899 0.0000 0.0000 44972.7765 -222459.6730 163.5986 -267432.4494 -222067.4816 163.5986 -2063.8552 -2076.2821 921491.4634 -2063.8552 -2076.2821
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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 ============== 194.413
LDB: Largest compute 230 load 0.527580 is 1.2% of average load 45.689764
LDB: Average compute 0.063988 is 0.1% of average load 45.689764
LDB: TIME 194.414 LOAD: AVG 45.6898 MAX 46.076 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.12 MB
LDB: TIME 194.415 LOAD: AVG 45.6898 MAX 46.076 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.12 MB
LDB: TIME 194.415 LOAD: AVG 45.6898 MAX 46.076 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.12 MB
LDB: ============== END OF LOAD BALANCING =============== 194.416
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.416
Info: Benchmark time: 4 CPUs 0.460704 s/step 5.33222 days/ns 3224.12 MB memory
TIMING: 400 CPU: 188.473, 0.460295/step Wall: 188.473, 0.460295/step, 0.012786 hours remaining, 3224.121094 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 22444.0481 19835.9110 5715.8942 173.8391 -338107.6287 23109.6375 0.0000 0.0000 44436.8097 -222391.4891 161.6489 -266828.2989 -222049.2227 161.6489 -4939.3797 -2681.7026 921491.4634 -4939.3797 -2681.7026
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ENERGY: 408 19735.8468 19387.6640 5692.2151 187.5226 -335902.8211 23017.8170 0.0000 0.0000 45394.4122 -222487.3433 165.1324 -267881.7554 -222063.5312 165.1324 -920.8280 -2294.1556 921491.4634 -920.8280 -2294.1556
ENERGY: 409 20350.1186 19376.4604 5688.4775 191.1593 -336896.6840 23057.9919 0.0000 0.0000 45733.6058 -222498.8704 166.3663 -268232.4762 -222051.6705 166.3663 -2367.4919 -2346.9326 921491.4634 -2367.4919 -2346.9326
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 20138.5248 5699.9333 199.7191 -337872.5314 23125.1114 0.0000 0.0000 45113.2142 -222465.8869 164.1095 -267579.1011 -222055.3453 164.1095 -3850.6271 -2398.9549 921491.4634 -3850.6271 -2398.9549
ENERGY: 414 19987.3855 20381.5506 5705.1134 199.5118 -337122.7793 23094.4555 0.0000 0.0000 45271.6527 -222483.1097 164.6858 -267754.7624 -222052.1623 164.6858 -2501.3243 -2333.9464 921491.4634 -2501.3243 -2333.9464
ENERGY: 415 19745.2666 20572.1259 5708.7451 198.1487 -336456.1968 23071.1989 0.0000 0.0000 44733.2272 -222427.4844 162.7272 -267160.7116 -222049.0346 162.7272 -1174.6453 -2266.5616 921491.4634 -1174.6453 -2266.5616
ENERGY: 416 19942.3169 20661.9895 5710.0856 195.6954 -336157.5857 23063.1713 0.0000 0.0000 44200.2849 -222384.0421 160.7885 -266584.3270 -222052.9644 160.7885 -282.7613 -2224.6898 921491.4634 -282.7613 -2224.6898
ENERGY: 417 20031.3748 20631.3209 5709.0493 192.4696 -336373.1072 23072.1097 0.0000 0.0000 44338.4619 -222398.3210 161.2911 -266736.7829 -222044.6994 161.2911 -112.4553 -2227.1700 921491.4634 -112.4553 -2227.1700
ENERGY: 418 20154.6646 20457.0909 5705.5847 188.6536 -336970.7865 23098.6724 0.0000 0.0000 44915.1424 -222450.9779 163.3889 -267366.1202 -222046.7093 163.3889 -671.8546 -2269.9922 921491.4634 -671.8546 -2269.9922
ENERGY: 419 20790.7630 20185.5524 5700.4810 184.6055 -337717.8755 23139.8022 0.0000 0.0000 45250.3101 -222466.3614 164.6082 -267716.6714 -222049.5950 164.6082 -1783.9422 -2336.6465 921491.4634 -1783.9422 -2336.6465
TIMING: 420 CPU: 197.657, 0.459224/step Wall: 197.657, 0.459224/step, 0.010205 hours remaining, 3224.121094 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: 423 21418.8984 19324.4273 5689.6736 172.2145 -337416.8955 23180.6038 0.0000 0.0000 45183.9713 -222447.1065 164.3669 -267631.0778 -222051.5234 164.3669 -3955.8309 -2434.9307 921491.4634 -3955.8309 -2434.9307
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ENERGY: 427 19598.5315 19595.2895 5707.1504 168.7509 -335498.4314 23074.5004 0.0000 0.0000 44915.2775 -222438.9312 163.3894 -267354.2087 -222048.7340 163.3894 -741.9009 -2207.6356 921491.4634 -741.9009 -2207.6356
ENERGY: 428 20140.4226 19760.4167 5710.4628 168.5259 -336199.9845 23087.7674 0.0000 0.0000 44884.2595 -222448.1296 163.2766 -267332.3891 -222058.0548 163.2766 -935.5731 -2206.9584 921491.4634 -935.5731 -2206.9584
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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 5712.1699 168.1897 -338096.9197 23149.4490 0.0000 0.0000 44626.3096 -222402.4405 162.3382 -267028.7501 -222047.3914 162.3382 -2472.2457 -2268.0465 921491.4634 -2472.2457 -2268.0465
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ENERGY: 432 21768.3703 20188.6724 5710.3546 168.1086 -338651.2095 23176.0842 0.0000 0.0000 45177.9908 -222461.6286 164.3451 -267639.6194 -222065.9059 164.3451 -3350.2743 -2296.1498 921491.4634 -3350.2743 -2296.1498
ENERGY: 433 21200.9070 20275.9664 5710.3763 168.4633 -338164.0631 23162.2907 0.0000 0.0000 45192.9283 -222453.1312 164.3995 -267646.0595 -222052.5982 164.3995 -3187.3734 -2272.1277 921491.4634 -3187.3734 -2272.1277
ENERGY: 434 20730.3411 20338.1500 5711.6061 169.3247 -337394.2698 23140.7731 0.0000 0.0000 44883.0996 -222420.9752 163.2724 -267304.0748 -222051.1463 163.2724 -2694.3109 -2227.7886 921491.4634 -2694.3109 -2227.7886
ENERGY: 435 20235.2201 20362.4017 5714.0003 170.8455 -336680.6549 23123.4093 0.0000 0.0000 44675.9836 -222398.7944 162.5189 -267074.7781 -222049.5889 162.5189 -2061.3583 -2179.8952 921491.4634 -2061.3583 -2179.8952
ENERGY: 436 19670.9242 20349.9984 5717.2345 173.0864 -336303.8807 23119.9073 0.0000 0.0000 44847.0981 -222425.6318 163.1414 -267272.7298 -222059.6960 163.1414 -1520.6598 -2145.1618 921491.4634 -1520.6598 -2145.1618
ENERGY: 437 19434.5515 20329.5095 5720.9893 175.9827 -336411.9780 23136.3863 0.0000 0.0000 45159.2686 -222455.2901 164.2770 -267614.5587 -222050.7503 164.2770 -1319.1169 -2134.4849 921491.4634 -1319.1169 -2134.4849
ENERGY: 438 19935.1531 20278.6099 5724.6883 179.3848 -336899.4573 23173.5515 0.0000 0.0000 45148.1323 -222459.9374 164.2365 -267608.0697 -222051.5669 164.2365 -1493.0942 -2145.0882 921491.4634 -1493.0942 -2145.0882
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TIMING: 440 CPU: 206.833, 0.458803/step Wall: 206.833, 0.458803/step, 0.00764672 hours remaining, 3224.121094 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 20036.2375 5729.7526 186.7201 -338123.1807 23276.2481 0.0000 0.0000 44417.5456 -222405.1082 161.5788 -266822.6539 -222059.4776 161.5788 -2408.4616 -2197.9674 921491.4634 -2408.4616 -2197.9674
ENERGY: 441 22355.5486 19860.0411 5730.3487 190.1145 -338361.1716 23313.2041 0.0000 0.0000 44502.6963 -222409.2182 161.8886 -266911.9145 -222050.0863 161.8886 -2716.1031 -2221.5316 921491.4634 -2716.1031 -2221.5316
ENERGY: 442 21853.6116 19664.5350 5729.4854 192.9411 -338090.1533 23327.1564 0.0000 0.0000 44880.6321 -222441.7917 163.2634 -267322.4238 -222049.7759 163.2634 -2710.5580 -2229.0699 921491.4634 -2710.5580 -2229.0699
ENERGY: 443 21064.3314 19487.0722 5727.6164 194.9329 -337369.3150 23320.0154 0.0000 0.0000 45118.1109 -222457.2358 164.1273 -267575.3467 -222048.5999 164.1273 -2448.1652 -2220.3534 921491.4634 -2448.1652 -2220.3534
ENERGY: 444 20449.3364 19357.2688 5725.4095 195.8735 -336464.1921 23301.5272 0.0000 0.0000 44987.7178 -222447.0590 163.6530 -267434.7768 -222057.9800 163.6530 -2090.2101 -2206.4401 921491.4634 -2090.2101 -2206.4401
ENERGY: 445 20125.5610 19307.2515 5723.6512 195.6942 -335759.3912 23283.8134 0.0000 0.0000 44708.7155 -222414.7044 162.6380 -267123.4199 -222046.5430 162.6380 -1846.9627 -2201.6928 921491.4634 -1846.9627 -2201.6928
ENERGY: 446 19947.6805 19324.9003 5722.5429 194.3235 -335494.5706 23276.0447 0.0000 0.0000 44620.2947 -222408.7841 162.3164 -267029.0788 -222046.1623 162.3164 -1800.7519 -2216.7296 921491.4634 -1800.7519 -2216.7296
ENERGY: 447 19914.2847 19416.0207 5722.2106 191.8641 -335769.4399 23282.7454 0.0000 0.0000 44816.5091 -222425.8052 163.0301 -267242.3143 -222046.8345 163.0301 -1993.3113 -2253.0605 921491.4634 -1993.3113 -2253.0605
ENERGY: 448 20187.5920 19583.6798 5722.5764 188.5554 -336503.1800 23303.8900 0.0000 0.0000 45065.6677 -222451.2188 163.9365 -267516.8864 -222059.3483 163.9365 -2372.1880 -2303.7901 921491.4634 -2372.1880 -2303.7901
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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 21754.4856 20108.1300 5724.4776 181.0897 -338419.3252 23364.6240 0.0000 0.0000 44854.3095 -222432.2089 163.1677 -267286.5183 -222048.7863 163.1677 -3116.6761 -2394.3898 921491.4634 -3116.6761 -2394.3898
ENERGY: 451 22355.5904 20357.7255 5724.7143 177.6517 -338952.0912 23381.8005 0.0000 0.0000 44542.6986 -222411.9103 162.0341 -266954.6089 -222048.8248 162.0341 -3074.2537 -2405.7800 921491.4634 -3074.2537 -2405.7800
ENERGY: 452 22246.2015 20536.0134 5723.8953 174.8859 -338927.1538 23378.0942 0.0000 0.0000 44452.9197 -222415.1439 161.7075 -266868.0636 -222059.6369 161.7075 -2659.9608 -2384.7569 921491.4634 -2659.9608 -2384.7569
ENERGY: 453 21399.8726 20641.1311 5722.2878 173.1350 -338392.7934 23354.5906 0.0000 0.0000 44683.7034 -222418.0729 162.5470 -267101.7763 -222043.5370 162.5470 -2048.3340 -2342.4669 921491.4634 -2048.3340 -2342.4669
ENERGY: 454 20248.3382 20654.1374 5720.2217 172.3637 -337567.1414 23320.6901 0.0000 0.0000 45008.1463 -222443.2440 163.7273 -267451.3903 -222041.8390 163.7273 -1453.4579 -2293.1450 921491.4634 -1453.4579 -2293.1450
ENERGY: 455 19486.7908 20584.7120 5718.4844 172.5169 -336790.6451 23290.4023 0.0000 0.0000 45086.5784 -222451.1602 164.0126 -267537.7386 -222040.8569 164.0126 -1151.8823 -2255.8572 921491.4634 -1151.8823 -2255.8572
ENERGY: 456 19493.3721 20440.6801 5717.7555 173.4248 -336350.1074 23274.9631 0.0000 0.0000 44811.4722 -222438.4396 163.0118 -267249.9118 -222055.3486 163.0118 -1305.5003 -2245.5823 921491.4634 -1305.5003 -2245.5823
ENERGY: 457 20047.4926 20251.9435 5718.5580 174.9241 -336395.8162 23277.8275 0.0000 0.0000 44521.8702 -222403.2003 161.9583 -266925.0705 -222049.4133 161.9583 -1906.4163 -2263.5013 921491.4634 -1906.4163 -2263.5013
ENERGY: 458 20585.8433 20019.2724 5720.7060 176.6081 -336835.0956 23294.7174 0.0000 0.0000 44632.7885 -222405.1600 162.3618 -267037.9485 -222051.2823 162.3618 -2684.6986 -2301.0427 921491.4634 -2684.6986 -2301.0427
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TIMING: 460 CPU: 215.994, 0.45801/step Wall: 215.994, 0.45801/step, 0.005089 hours remaining, 3224.121094 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 19597.9064 5728.0971 179.4910 -338014.3767 23341.8003 0.0000 0.0000 45423.8559 -222480.6118 165.2395 -267904.4676 -222064.6838 165.2395 -3669.8204 -2365.2413 921491.4634 -3669.8204 -2365.2413
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ENERGY: 462 22264.2254 19487.8108 5736.4822 180.9531 -337988.7169 23351.1089 0.0000 0.0000 44559.9288 -222408.2076 162.0968 -266968.1364 -222056.7215 162.0968 -2954.8202 -2323.4251 921491.4634 -2954.8202 -2323.4251
ENERGY: 463 21821.1790 19513.9014 5738.9361 181.1160 -337284.1027 23326.9481 0.0000 0.0000 44313.4568 -222388.5654 161.2002 -266702.0221 -222054.6244 161.2002 -2012.4425 -2264.0778 921491.4634 -2012.4425 -2264.0778
ENERGY: 464 20535.2459 19559.9270 5739.2518 181.0096 -336389.3837 23291.1946 0.0000 0.0000 44654.0263 -222428.7285 162.4391 -267082.7548 -222058.5730 162.4391 -1050.9226 -2205.5267 921491.4634 -1050.9226 -2205.5267
ENERGY: 465 19322.7826 19631.8852 5737.2898 180.7155 -335701.1531 23259.7395 0.0000 0.0000 45094.5684 -222474.1720 164.0416 -267568.7404 -222052.9388 164.0416 -512.3344 -2174.4007 921491.4634 -512.3344 -2174.4007
ENERGY: 466 19088.4508 19708.3580 5733.2107 180.2808 -335443.7724 23245.0608 0.0000 0.0000 45020.7906 -222467.6207 163.7733 -267488.4113 -222052.9786 163.7733 -630.3311 -2182.6709 921491.4634 -630.3311 -2182.6709
ENERGY: 467 19841.8067 19783.1741 5727.6704 179.7757 -335721.0951 23249.4534 0.0000 0.0000 44523.6665 -222415.5483 161.9649 -266939.2148 -222054.3495 161.9649 -1393.6027 -2232.5923 921491.4634 -1393.6027 -2232.5923
ENERGY: 468 20761.8480 19845.4942 5721.5089 179.2779 -336451.5668 23265.8131 0.0000 0.0000 44291.6585 -222385.9662 161.1209 -266677.6247 -222056.3590 161.1209 -2508.6712 -2314.1339 921491.4634 -2508.6712 -2314.1339
ENERGY: 469 21236.3017 19910.2022 5715.6824 178.8504 -337458.3207 23284.3967 0.0000 0.0000 44720.3201 -222412.5672 162.6802 -267132.8873 -222046.0749 162.6802 -3596.7405 -2405.7971 921491.4634 -3596.7405 -2405.7971
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 19972.8935 5710.9491 178.5947 -338383.2515 23297.0679 0.0000 0.0000 45346.4574 -222466.1156 164.9579 -267812.5730 -222047.6088 164.9579 -4259.6996 -2477.6830 921491.4634 -4259.6996 -2477.6830
ENERGY: 471 21732.8679 20054.6837 5707.9626 178.5890 -338913.2462 23297.5091 0.0000 0.0000 45471.3368 -222470.2970 165.4122 -267941.6338 -222047.5359 165.4122 -4290.5684 -2504.3174 921491.4634 -4290.5684 -2504.3174
ENERGY: 472 22081.2361 20161.5554 5707.0091 178.9047 -338870.6780 23279.4498 0.0000 0.0000 45028.5301 -222433.9930 163.8014 -267462.5231 -222059.5059 163.8014 -3659.7362 -2479.9184 921491.4634 -3659.7362 -2479.9184
ENERGY: 473 21866.1362 20289.3429 5707.9843 179.6165 -338307.7206 23240.7370 0.0000 0.0000 44634.5178 -222389.3860 162.3681 -267023.9037 -222043.8540 162.3681 -2556.3617 -2408.1658 921491.4634 -2556.3617 -2408.1658
ENERGY: 474 20842.9705 20372.0989 5710.2160 180.7466 -337438.4568 23189.2355 0.0000 0.0000 44733.2310 -222409.9582 162.7272 -267143.1892 -222041.2620 162.7272 -1295.5525 -2316.2728 921491.4634 -1295.5525 -2316.2728
ENERGY: 475 19674.2081 20371.7677 5712.9876 182.2512 -336604.2330 23142.3825 0.0000 0.0000 45070.2142 -222450.4217 163.9531 -267520.6359 -222039.4531 163.9531 -344.6448 -2232.2126 921491.4634 -344.6448 -2232.2126
ENERGY: 476 19235.7861 20282.0278 5715.7683 184.0125 -336100.0921 23115.8474 0.0000 0.0000 45106.0638 -222460.5862 164.0835 -267566.6500 -222053.6139 164.0835 -92.4048 -2183.0653 921491.4634 -92.4048 -2183.0653
ENERGY: 477 19704.7248 20145.9816 5718.4976 185.9230 -336101.8807 23114.2947 0.0000 0.0000 44812.3214 -222420.1376 163.0149 -267232.4590 -222044.8412 163.0149 -667.4944 -2171.8228 921491.4634 -667.4944 -2171.8228
ENERGY: 478 20493.4776 19974.7641 5721.0254 187.7262 -336537.4054 23131.2467 0.0000 0.0000 44627.0338 -222402.1315 162.3409 -267029.1654 -222047.4108 162.3409 -1807.1603 -2198.7956 921491.4634 -1807.1603 -2198.7956
ENERGY: 479 21125.3059 19793.3958 5723.3295 189.2099 -337215.5855 23156.6779 0.0000 0.0000 44802.1582 -222425.5083 162.9779 -267227.6666 -222050.5461 162.9779 -3089.8515 -2246.7917 921491.4634 -3089.8515 -2246.7917
TIMING: 480 CPU: 225.156, 0.458096/step Wall: 225.156, 0.458096/step, 0.00254498 hours remaining, 3224.121094 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 -337854.6799 23181.5125 0.0000 0.0000 45051.6819 -222458.7550 163.8856 -267510.4369 -222064.6209 163.8856 -4077.7326 -2291.4890 921491.4634 -4077.7326 -2291.4890
ENERGY: 481 22092.4854 19510.0433 5727.0952 190.6351 -338199.2493 23196.7966 0.0000 0.0000 45041.3373 -222440.8563 163.8480 -267482.1936 -222052.5265 163.8480 -4466.2394 -2305.6731 921491.4634 -4466.2394 -2305.6731
ENERGY: 482 22186.3468 19466.6793 5728.4964 190.3598 -338044.5428 23192.7481 0.0000 0.0000 44865.8524 -222414.0600 163.2096 -267279.9125 -222051.4112 163.2096 -4059.3097 -2278.0613 921491.4634 -4059.3097 -2278.0613
ENERGY: 483 21553.1415 19511.5743 5729.5660 189.3227 -337426.2193 23165.8747 0.0000 0.0000 44861.8971 -222414.8429 163.1953 -267276.7400 -222048.7672 163.1953 -2964.1721 -2216.4114 921491.4634 -2964.1721 -2216.4114
ENERGY: 484 20460.8929 19631.1937 5730.2465 187.5455 -336590.8890 23126.1358 0.0000 0.0000 45003.6029 -222451.2717 163.7107 -267454.8747 -222059.8743 163.7107 -1565.2424 -2143.1849 921491.4634 -1565.2424 -2143.1849
ENERGY: 485 19688.7722 19800.2989 5730.5256 185.2458 -335902.5869 23092.8477 0.0000 0.0000 44955.5721 -222449.3246 163.5360 -267404.8967 -222045.9606 163.5360 -422.1568 -2086.8735 921491.4634 -422.1568 -2086.8735
ENERGY: 486 19602.5426 19954.8173 5729.7198 182.4662 -335612.3567 23080.3814 0.0000 0.0000 44645.9113 -222416.5182 162.4096 -267062.4295 -222044.6761 162.4096 87.3182 -2070.0981 921491.4634 87.3182 -2070.0981
ENERGY: 487 19881.0923 20072.0209 5727.4347 179.4360 -335846.4478 23091.0550 0.0000 0.0000 44503.3489 -222392.0600 161.8910 -266895.4089 -222045.2407 161.8910 -192.2344 -2106.8839 921491.4634 -192.2344 -2106.8839
ENERGY: 488 20125.2097 20156.1357 5723.5441 176.4338 -336552.5446 23118.8622 0.0000 0.0000 44827.0550 -222425.3041 163.0685 -267252.3592 -222057.1939 163.0685 -1145.7531 -2194.6677 921491.4634 -1145.7531 -2194.6677
ENERGY: 489 20526.8871 20236.4604 5718.5748 173.8639 -337540.4649 23156.7316 0.0000 0.0000 45266.0997 -222461.8473 164.6656 -267727.9470 -222045.6086 164.6656 -2511.2402 -2316.7064 921491.4634 -2511.2402 -2316.7064
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 20292.9018 5712.8912 171.8438 -338458.1355 23196.4883 0.0000 0.0000 45213.5622 -222459.6994 164.4745 -267673.2615 -222048.2208 164.4745 -3823.4037 -2437.4152 921491.4634 -3823.4037 -2437.4152
ENERGY: 491 22430.4638 20312.1358 5707.3795 170.5404 -338984.5789 23226.0943 0.0000 0.0000 44733.0083 -222404.9569 162.7264 -267137.9652 -222049.4638 162.7264 -4629.6932 -2524.6213 921491.4634 -4629.6932 -2524.6213
ENERGY: 492 22612.9545 20289.6810 5702.9944 170.0208 -338937.5813 23232.7211 0.0000 0.0000 44542.1945 -222387.0150 162.0323 -266929.2095 -222060.3860 162.0323 -4606.8522 -2557.4728 921491.4634 -4606.8522 -2557.4728
ENERGY: 493 21558.2188 20260.7376 5700.7779 170.3201 -338358.0633 23214.0542 0.0000 0.0000 45033.8223 -222420.1325 163.8207 -267453.9548 -222046.5900 163.8207 -3796.3818 -2540.0995 921491.4634 -3796.3818 -2540.0995
ENERGY: 494 20068.3368 20225.0265 5700.9805 171.2193 -337454.3837 23183.0801 0.0000 0.0000 45622.2467 -222483.4938 165.9612 -268105.7406 -222044.0867 165.9612 -2500.8991 -2482.1067 921491.4634 -2500.8991 -2482.1067
ENERGY: 495 19383.2464 20186.8306 5703.5926 172.5416 -336566.9890 23159.4631 0.0000 0.0000 45484.1224 -222477.1924 165.4587 -267961.3148 -222041.5563 165.4587 -1249.6836 -2407.3055 921491.4634 -1249.6836 -2407.3055
ENERGY: 496 19722.4834 20130.6478 5708.0350 174.0933 -335998.7160 23154.2641 0.0000 0.0000 44699.5265 -222409.6659 162.6046 -267109.1925 -222049.0670 162.6046 -478.8996 -2343.4749 921491.4634 -478.8996 -2343.4749
ENERGY: 497 20212.6667 20059.9181 5713.4613 175.7242 -335952.5048 23166.3551 0.0000 0.0000 44261.0285 -222363.3510 161.0095 -266624.3795 -222042.7500 161.0095 -421.0230 -2316.7927 921491.4634 -421.0230 -2316.7927
ENERGY: 498 20182.0165 19957.1219 5718.5596 177.2604 -336366.4939 23189.3590 0.0000 0.0000 44728.2532 -222413.9233 162.7091 -267142.1765 -222044.5219 162.7091 -993.4677 -2331.6471 921491.4634 -993.4677 -2331.6471
ENERGY: 499 20158.0679 19847.7311 5722.4089 178.6361 -337058.4831 23219.2409 0.0000 0.0000 45439.2643 -222493.1339 165.2956 -267932.3982 -222047.2062 165.2956 -2020.8686 -2376.3389 921491.4634 -2020.8686 -2376.3389
Info: Benchmark time: 4 CPUs 0.457707 s/step 5.29753 days/ns 3224.12 MB memory
TIMING: 500 CPU: 234.244, 0.454408/step Wall: 234.244, 0.454408/step, 0 hours remaining, 3224.121094 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8937 19756.6585 5724.4523 179.8271 -337741.4202 23251.1014 0.0000 0.0000 45359.0780 -222495.4094 165.0039 -267854.4873 -222061.0912 165.0039 -3197.5167 -2425.4141 921491.4634 -3197.5167 -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, 3229.418 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.418 MB of memory in use
====================================================
WallClock: 241.073563 CPUTime: 241.073563 Memory: 3229.417969 MB
[Partition 0][Node 0] End of program
Application 88884262 resources: utime ~948s, stime ~18s, Rss ~126996, inblocks ~67175, outblocks ~72240
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins7846211284762264729.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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