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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 ============== 54.4355
LDB: Largest compute 200 load 0.429806 is 1.2% of average load 36.768304
LDB: Average compute 0.051505 is 0.1% of average load 36.768304
LDB: Partitioning computes with target load 3.676830
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055452
LDB: ============== END OF LOAD BALANCING =============== 54.4376
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.4385
Info: Initial time: 4 CPUs 0.473439 s/step 5.47961 days/ns 3221.43 MB memory
TIMING: 100 CPU: 48.313, 0.472482/step Wall: 48.313, 0.472482/step, 0.052498 hours remaining, 3221.433594 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 ============== 63.8693
LDB: ============== END OF LOAD BALANCING =============== 63.8694
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.8698
TIMING: 120 CPU: 57.7414, 0.471417/step Wall: 57.7414, 0.471417/step, 0.0497607 hours remaining, 3221.628906 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 21874.8525 19195.4801 5730.8549 192.8766 -333203.4341 21083.5324 0.0000 0.0000 42784.9639 -222340.8738 155.6399 -265125.8377 -222213.1814 155.6399 -2704.7055 -2927.3524 921491.4634 -2704.7055 -2927.3524
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TIMING: 140 CPU: 67.1683, 0.471345/step Wall: 67.1683, 0.471345/step, 0.0471345 hours remaining, 3221.773438 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: 76.581, 0.470634/step Wall: 76.581, 0.470634/step, 0.0444488 hours remaining, 3222.093750 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: 85.9823, 0.470066/step Wall: 85.9823, 0.470066/step, 0.0417836 hours remaining, 3222.093750 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 22073.2968 19471.4304 5678.7398 184.6336 -333156.1127 21076.9264 0.0000 0.0000 42449.0056 -222222.0800 154.4178 -264671.0856 -222130.9079 154.4178 -3641.8536 -2802.0867 921491.4634 -3641.8536 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 198 21224.0060 18800.3006 5711.3574 186.3640 -333385.4995 21161.1533 0.0000 0.0000 43911.2864 -222391.0319 159.7372 -266302.3183 -222090.4390 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.512
LDB: Largest compute 200 load 0.425503 is 1.2% of average load 36.592557
LDB: Average compute 0.051251 is 0.1% of average load 36.592557
LDB: TIME 101.514 LOAD: AVG 36.5926 MAX 37.642 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.49 MB
LDB: TIME 101.516 LOAD: AVG 36.5926 MAX 37.4883 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.49 MB
LDB: ============== END OF LOAD BALANCING =============== 101.518
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.521
Info: Initial time: 4 CPUs 0.470671 s/step 5.44758 days/ns 3223.42 MB memory
TIMING: 200 CPU: 95.3901, 0.47039/step Wall: 95.3901, 0.47039/step, 0.0391992 hours remaining, 3223.417969 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 20743.8944 19130.0391 5729.2400 192.0764 -333501.9371 21215.8253 0.0000 0.0000 44059.6987 -222431.1633 160.2771 -266490.8620 -222093.6426 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
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ENERGY: 208 20293.2702 20371.8903 5718.1572 182.8654 -334789.2380 21322.2409 0.0000 0.0000 44428.6271 -222472.1868 161.6191 -266900.8140 -222122.6317 161.6191 -3669.0643 -2719.7953 921491.4634 -3669.0643 -2719.7953
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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 21385.1735 20194.2568 5705.3139 178.4614 -336615.7771 21385.1095 0.0000 0.0000 45251.4334 -222516.0285 164.6123 -267767.4619 -222108.2019 164.6123 -6091.3664 -2896.2628 921491.4634 -6091.3664 -2896.2628
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ENERGY: 212 23739.2709 19730.8222 5710.0295 176.0352 -336013.6224 21412.5983 0.0000 0.0000 42995.1638 -222249.7025 156.4046 -265244.8663 -222104.2317 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2159 19524.5248 5720.1722 175.9508 -334874.6441 21380.5552 0.0000 0.0000 45418.7806 -222504.4446 165.2210 -267923.2252 -222097.3834 165.2210 -2174.3117 -2725.0841 921491.4634 -2174.3117 -2725.0841
ENERGY: 214 17315.5528 19421.7448 5733.3059 176.6827 -333645.3934 21358.4485 0.0000 0.0000 46958.4702 -222681.1884 170.8220 -269639.6586 -222093.7406 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5056 19441.9743 5746.5772 178.1492 -332787.3320 21379.5596 0.0000 0.0000 45302.6745 -222527.8915 164.7987 -267830.5660 -222091.0446 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4718 19522.5061 5756.9571 180.1770 -332560.1060 21436.4836 0.0000 0.0000 42442.1787 -222248.3317 154.3930 -264690.5104 -222073.6155 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3867 19581.4820 5762.2416 182.5517 -333010.6758 21497.2706 0.0000 0.0000 41983.6750 -222225.0682 152.7251 -264208.7432 -222064.4464 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9157 19540.0891 5761.2415 184.9927 -333856.1147 21546.6561 0.0000 0.0000 44178.6836 -222478.5360 160.7099 -266657.2197 -222068.8154 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
ENERGY: 219 19429.8641 19413.3932 5754.3577 187.2447 -334778.0710 21596.8809 0.0000 0.0000 45751.9297 -222644.4007 166.4329 -268396.3304 -222073.1719 166.4329 -4457.7333 -2810.5237 921491.4634 -4457.7333 -2810.5237
TIMING: 220 CPU: 104.806, 0.470812/step Wall: 104.806, 0.470812/step, 0.0366187 hours remaining, 3223.417969 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 220 21580.9146 19260.1137 5743.1672 189.1021 -335473.8433 21655.3185 0.0000 0.0000 44539.5738 -222505.6535 162.0227 -267045.2273 -222092.6289 162.0227 -5898.3512 -2876.6576 921491.4634 -5898.3512 -2876.6576
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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: 114.212, 0.470267/step Wall: 114.212, 0.470267/step, 0.0339637 hours remaining, 3223.417969 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: 246 20878.5481 19853.7025 5716.8932 174.1558 -334213.1205 21705.0850 0.0000 0.0000 43600.4181 -222284.3178 158.6063 -265884.7359 -222067.4296 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5286 19979.6440 5712.7400 177.5412 -334802.1842 21719.8454 0.0000 0.0000 44912.1912 -222431.6937 163.3782 -267343.8850 -222068.1394 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4924 20164.4297 5713.8450 181.3144 -335623.1352 21746.4311 0.0000 0.0000 46185.9362 -222595.6865 168.0117 -268781.6227 -222090.3127 168.0117 -1359.1247 -2608.3066 921491.4634 -1359.1247 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 260 CPU: 123.612, 0.470027/step Wall: 123.612, 0.470027/step, 0.0313351 hours remaining, 3223.722656 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 20140.5622 5703.8103 187.9445 -335614.9713 21924.4739 0.0000 0.0000 45349.7771 -222527.2804 164.9700 -267877.0576 -222051.1548 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2261 20436.4305 5710.6950 187.5052 -334855.9510 21907.7772 0.0000 0.0000 44751.4783 -222476.8387 162.7936 -267228.3170 -222069.1982 162.7936 -2191.1926 -2723.5294 921491.4634 -2191.1926 -2723.5294
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ENERGY: 266 20048.7898 20788.8700 5712.1327 187.6137 -334399.4575 21914.4804 0.0000 0.0000 43399.3797 -222348.1911 157.8750 -265747.5708 -222054.3633 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0904 20691.2678 5707.0583 187.8501 -334831.4854 21930.8373 0.0000 0.0000 44220.2170 -222446.1645 160.8610 -266666.3815 -222055.6583 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9160 20375.7515 5700.1930 187.9286 -335513.7451 21959.1256 0.0000 0.0000 44823.5378 -222504.2925 163.0557 -267327.8303 -222075.9876 163.0557 -2903.2126 -2658.6181 921491.4634 -2903.2126 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 272 21021.5584 18896.0661 5692.8269 184.9335 -335921.4616 22015.0579 0.0000 0.0000 45607.7078 -222503.3110 165.9083 -268111.0188 -222081.1572 165.9083 -2551.9685 -2501.8805 921491.4634 -2551.9685 -2501.8805
ENERGY: 273 20123.2136 18932.9080 5697.5118 183.8526 -334925.7013 21985.5295 0.0000 0.0000 45502.7162 -222499.9695 165.5264 -268002.6858 -222069.0459 165.5264 -1837.1976 -2434.6761 921491.4634 -1837.1976 -2434.6761
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ENERGY: 276 19401.8500 19594.7507 5701.2547 182.4904 -333292.1279 21971.0409 0.0000 0.0000 44028.5274 -222412.2139 160.1637 -266440.7413 -222072.9394 160.1637 -1580.1298 -2417.6041 921491.4634 -1580.1298 -2417.6041
ENERGY: 277 19149.2971 19724.7160 5695.5210 182.9396 -333864.3452 21997.2386 0.0000 0.0000 44632.8114 -222481.8217 162.3619 -267114.6330 -222061.0987 162.3619 -2311.7544 -2498.0545 921491.4634 -2311.7544 -2498.0545
ENERGY: 278 20199.4578 19713.7760 5686.9122 183.6585 -334821.1003 22041.3358 0.0000 0.0000 44532.2541 -222463.7060 161.9961 -266995.9601 -222063.4130 161.9961 -3254.8157 -2593.7696 921491.4634 -3254.8157 -2593.7696
ENERGY: 279 21984.3652 19593.9431 5677.5176 184.5187 -335888.5801 22096.4198 0.0000 0.0000 43975.0879 -222376.7278 159.9693 -266351.8157 -222065.2022 159.9693 -4044.3215 -2682.8389 921491.4634 -4044.3215 -2682.8389
TIMING: 280 CPU: 133, 0.469386/step Wall: 133, 0.469386/step, 0.0286847 hours remaining, 3223.722656 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 -336942.5034 22176.7653 0.0000 0.0000 45823.3371 -222526.2577 166.6927 -268349.5947 -222063.3315 166.6927 -2992.3272 -2779.3668 921491.4634 -2992.3272 -2779.3668
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ENERGY: 285 20203.3286 20789.9628 5707.3565 186.7145 -334827.1963 22167.0164 0.0000 0.0000 43418.2631 -222354.5544 157.9437 -265772.8175 -222053.5966 157.9437 -1010.8435 -2700.0820 921491.4634 -1010.8435 -2700.0820
ENERGY: 286 19396.6307 20966.5621 5721.5031 185.8229 -334658.1145 22176.6862 0.0000 0.0000 43785.6883 -222425.2212 159.2803 -266210.9094 -222054.0582 159.2803 -1306.7500 -2717.2847 921491.4634 -1306.7500 -2717.2847
ENERGY: 287 19176.1189 20856.7822 5731.9346 184.4714 -334918.1478 22200.2909 0.0000 0.0000 44282.9439 -222485.6059 161.0892 -266768.5497 -222055.7253 161.0892 -2148.9611 -2753.3344 921491.4634 -2148.9611 -2753.3344
ENERGY: 288 20263.2089 20475.2851 5736.9557 182.7335 -335468.3147 22237.9036 0.0000 0.0000 44116.9904 -222455.2375 160.4855 -266572.2279 -222066.9053 160.4855 -3310.5879 -2790.1553 921491.4634 -3310.5879 -2790.1553
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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: 290 22615.9846 19325.5266 5730.3279 178.6973 -336571.4574 22308.2174 0.0000 0.0000 44027.4234 -222385.2802 160.1597 -266412.7036 -222063.4684 160.1597 -4815.3289 -2796.0390 921491.4634 -4815.3289 -2796.0390
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LDB: ============= START OF LOAD BALANCING ============== 148.536
LDB: Largest compute 200 load 0.519012 is 1.1% of average load 45.689626
LDB: Average compute 0.063993 is 0.1% of average load 45.689626
LDB: TIME 148.538 LOAD: AVG 45.6896 MAX 47.0152 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.08 MB
LDB: TIME 148.539 LOAD: AVG 45.6896 MAX 47.0152 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.08 MB
LDB: TIME 148.555 LOAD: AVG 45.6896 MAX 46.1909 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.08 MB
LDB: ============== END OF LOAD BALANCING =============== 148.556
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.557
Info: Initial time: 4 CPUs 0.46984 s/step 5.43796 days/ns 3224.08 MB memory
TIMING: 300 CPU: 142.395, 0.469763/step Wall: 142.395, 0.469763/step, 0.026098 hours remaining, 3224.078125 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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TIMING: 320 CPU: 151.602, 0.460317/step Wall: 151.602, 0.460317/step, 0.0230159 hours remaining, 3224.078125 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: 337 20420.1633 19649.7063 5693.3319 179.7347 -334824.3555 22536.4221 0.0000 0.0000 43995.5998 -222349.3975 160.0439 -266344.9973 -222040.1023 160.0439 -1064.7183 -2460.5860 921491.4634 -1064.7183 -2460.5860
ENERGY: 338 21007.5746 19722.4643 5687.5590 179.5437 -335808.8619 22564.1943 0.0000 0.0000 44285.9173 -222361.6087 161.1000 -266647.5259 -222041.5957 161.1000 -1500.9499 -2462.8576 921491.4634 -1500.9499 -2462.8576
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TIMING: 340 CPU: 160.799, 0.459879/step Wall: 160.799, 0.459879/step, 0.0204391 hours remaining, 3224.078125 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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ENERGY: 347 20669.8294 19583.9411 5696.3949 182.8447 -334881.4384 22581.1980 0.0000 0.0000 43831.1329 -222336.0974 159.4456 -266167.2303 -222056.9472 159.4456 -1358.8146 -2194.9213 921491.4634 -1358.8146 -2194.9213
ENERGY: 348 21062.2473 19315.9903 5689.3479 182.7918 -335425.6670 22604.2199 0.0000 0.0000 44195.9878 -222375.0821 160.7729 -266571.0698 -222064.0949 160.7729 -1766.2768 -2218.9158 921491.4634 -1766.2768 -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
ENERGY: 350 21009.3454 19066.8675 5675.7227 182.5405 -336836.8360 22661.9752 0.0000 0.0000 45710.0739 -222530.3107 166.2807 -268240.3846 -222058.0877 166.2807 -2896.5513 -2326.8869 921491.4634 -2896.5513 -2326.8869
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ENERGY: 352 22912.9251 19180.1282 5672.7329 182.2243 -336794.7858 22708.6917 0.0000 0.0000 43795.3995 -222342.6840 159.3156 -266138.0836 -222059.3896 159.3156 -3190.0138 -2394.0290 921491.4634 -3190.0138 -2394.0290
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ENERGY: 354 19814.0380 19544.5092 5682.7360 181.9868 -335375.1821 22676.8664 0.0000 0.0000 44983.0760 -222491.9697 163.6361 -267475.0457 -222046.2241 163.6361 -2040.9897 -2415.4742 921491.4634 -2040.9897 -2415.4742
ENERGY: 355 18879.8416 19773.7509 5689.2466 181.9196 -334823.9954 22664.4418 0.0000 0.0000 45120.2681 -222514.5269 164.1351 -267634.7950 -222044.8380 164.1351 -1600.3167 -2424.6827 921491.4634 -1600.3167 -2424.6827
ENERGY: 356 19622.4369 20015.8109 5694.4280 181.9402 -334758.7687 22674.4076 0.0000 0.0000 44153.0888 -222416.6563 160.6168 -266569.7451 -222053.0959 160.6168 -1622.0261 -2446.8266 921491.4634 -1622.0261 -2446.8266
ENERGY: 357 20687.2712 20255.1055 5697.1707 182.0215 -335288.0642 22700.2945 0.0000 0.0000 43438.0180 -222328.1828 158.0156 -265766.2008 -222042.2327 158.0156 -2061.3607 -2486.6663 921491.4634 -2061.3607 -2486.6663
ENERGY: 358 20785.4068 20424.8429 5696.9832 182.1295 -336225.9477 22730.2415 0.0000 0.0000 44019.5825 -222386.7613 160.1311 -266406.3438 -222043.9943 160.1311 -2636.8582 -2541.3593 921491.4634 -2636.8582 -2541.3593
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TIMING: 360 CPU: 169.996, 0.459821/step Wall: 169.996, 0.459821/step, 0.0178819 hours remaining, 3224.078125 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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ENERGY: 364 19323.8974 19612.6013 5699.8913 181.0103 -336175.1996 22790.5190 0.0000 0.0000 46034.3491 -222532.9312 167.4603 -268567.2802 -222068.5917 167.4603 -1420.0423 -2476.3757 921491.4634 -1420.0423 -2476.3757
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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 20646.4609 20251.1593 5706.5521 182.3248 -335763.5804 22794.3773 0.0000 0.0000 43848.2759 -222334.4300 159.5080 -266182.7060 -222041.4011 159.5080 -1819.5857 -2472.4987 921491.4634 -1819.5857 -2472.4987
ENERGY: 378 20473.8101 20495.6595 5711.4639 183.2952 -336584.2283 22821.5836 0.0000 0.0000 44474.7541 -222423.6619 161.7869 -266898.4160 -222044.3965 161.7869 -2972.9874 -2523.3500 921491.4634 -2972.9874 -2523.3500
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TIMING: 380 CPU: 179.178, 0.459108/step Wall: 179.178, 0.459108/step, 0.0153036 hours remaining, 3224.078125 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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ENERGY: 383 21263.6993 19910.9245 5714.6670 180.7420 -337128.0229 22911.2845 0.0000 0.0000 44707.9447 -222438.7609 162.6352 -267146.7056 -222048.1878 162.6352 -2023.0802 -2294.0132 921491.4634 -2023.0802 -2294.0132
ENERGY: 384 19625.4112 19596.0352 5710.5349 179.0647 -336052.0487 22884.2534 0.0000 0.0000 45539.1835 -222517.5657 165.6590 -268056.7492 -222062.0925 165.6590 -569.2377 -2166.9357 921491.4634 -569.2377 -2166.9357
ENERGY: 385 19327.8179 19356.8911 5707.7751 177.4354 -335210.6401 22871.6144 0.0000 0.0000 45299.7173 -222469.3889 164.7879 -267769.1062 -222051.0992 164.7879 215.3518 -2064.3636 921491.4634 215.3518 -2064.3636
ENERGY: 386 19981.2272 19220.9464 5707.6637 175.9385 -334865.1818 22880.7958 0.0000 0.0000 44519.8587 -222378.7515 161.9510 -266898.6102 -222051.0437 161.9510 122.6672 -2011.2427 921491.4634 122.6672 -2011.2427
ENERGY: 387 20367.2860 19202.4844 5710.9354 174.6759 -335109.8727 22905.2744 0.0000 0.0000 44377.1817 -222372.0348 161.4320 -266749.2165 -222053.0049 161.4320 -738.9583 -2019.1688 921491.4634 -738.9583 -2019.1688
ENERGY: 388 20282.3989 19280.0168 5717.2934 173.7038 -335824.1520 22938.2901 0.0000 0.0000 44972.7761 -222459.6729 163.5986 -267432.4490 -222067.4815 163.5986 -2063.8554 -2076.2820 921491.4634 -2063.8554 -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 19906.7785 20200.7712 5721.4919 176.2273 -336102.8179 22990.0378 0.0000 0.0000 44712.8674 -222394.6439 162.6531 -267107.5114 -222042.6598 162.6531 -376.0860 -2327.2100 921491.4634 -376.0860 -2327.2100
ENERGY: 398 19692.8118 20133.3593 5716.9813 176.0456 -336812.3384 23014.0588 0.0000 0.0000 45592.7321 -222486.3494 165.8538 -268079.0815 -222045.7220 165.8538 -1710.2236 -2443.6964 921491.4634 -1710.2236 -2443.6964
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LDB: ============= START OF LOAD BALANCING ============== 194.53
LDB: Largest compute 230 load 0.521639 is 1.1% of average load 45.622774
LDB: Average compute 0.063886 is 0.1% of average load 45.622774
LDB: TIME 194.532 LOAD: AVG 45.6228 MAX 45.9725 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.08 MB
LDB: TIME 194.532 LOAD: AVG 45.6228 MAX 45.9725 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.08 MB
LDB: TIME 194.532 LOAD: AVG 45.6228 MAX 45.9725 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.08 MB
LDB: ============== END OF LOAD BALANCING =============== 194.533
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.534
Info: Benchmark time: 4 CPUs 0.45966 s/step 5.32014 days/ns 3224.08 MB memory
TIMING: 400 CPU: 188.365, 0.459379/step Wall: 188.365, 0.459379/step, 0.0127605 hours remaining, 3224.078125 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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ENERGY: 402 22444.0482 19835.9108 5715.8942 173.8391 -338107.6291 23109.6382 0.0000 0.0000 44436.8097 -222391.4889 161.6489 -266828.2986 -222049.2225 161.6489 -4939.3794 -2681.7023 921491.4634 -4939.3794 -2681.7023
ENERGY: 403 20784.9694 19778.4827 5715.7217 174.2695 -337239.9785 23077.8406 0.0000 0.0000 45225.5962 -222483.0983 164.5183 -267708.6946 -222046.6853 164.5183 -3613.5976 -2605.7427 921491.4634 -3613.5976 -2605.7427
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ENERGY: 408 19735.8472 19387.6643 5692.2151 187.5226 -335902.8224 23017.8178 0.0000 0.0000 45394.4119 -222487.3434 165.1324 -267881.7554 -222063.5314 165.1324 -920.8281 -2294.1555 921491.4634 -920.8281 -2294.1555
ENERGY: 409 20350.1192 19376.4606 5688.4774 191.1593 -336896.6853 23057.9927 0.0000 0.0000 45733.6056 -222498.8706 166.3663 -268232.4762 -222051.6707 166.3663 -2367.4921 -2346.9325 921491.4634 -2367.4921 -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 5699.9333 199.7191 -337872.5317 23125.1119 0.0000 0.0000 45113.2142 -222465.8867 164.1095 -267579.1009 -222055.3451 164.1095 -3850.6268 -2398.9548 921491.4634 -3850.6268 -2398.9548
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ENERGY: 416 19942.3168 20661.9897 5710.0856 195.6953 -336157.5858 23063.1717 0.0000 0.0000 44200.2848 -222384.0419 160.7885 -266584.3267 -222052.9642 160.7885 -282.7611 -2224.6896 921491.4634 -282.7611 -2224.6896
ENERGY: 417 20031.3749 20631.3211 5709.0493 192.4696 -336373.1073 23072.1100 0.0000 0.0000 44338.4618 -222398.3207 161.2911 -266736.7824 -222044.6990 161.2911 -112.4552 -2227.1699 921491.4634 -112.4552 -2227.1699
ENERGY: 418 20154.6650 20457.0911 5705.5847 188.6536 -336970.7866 23098.6727 0.0000 0.0000 44915.1420 -222450.9776 163.3889 -267366.1196 -222046.7090 163.3889 -671.8546 -2269.9921 921491.4634 -671.8546 -2269.9921
ENERGY: 419 20790.7635 20185.5525 5700.4810 184.6054 -337717.8755 23139.8023 0.0000 0.0000 45250.3098 -222466.3610 164.6082 -267716.6708 -222049.5947 164.6082 -1783.9423 -2336.6464 921491.4634 -1783.9423 -2336.6464
TIMING: 420 CPU: 197.528, 0.458132/step Wall: 197.528, 0.458132/step, 0.0101807 hours remaining, 3224.078125 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: 432 21768.3705 20188.6724 5710.3546 168.1086 -338651.2101 23176.0840 0.0000 0.0000 45177.9913 -222461.6287 164.3451 -267639.6199 -222065.9060 164.3451 -3350.2744 -2296.1499 921491.4634 -3350.2744 -2296.1499
ENERGY: 433 21200.9072 20275.9664 5710.3763 168.4633 -338164.0636 23162.2905 0.0000 0.0000 45192.9287 -222453.1312 164.3995 -267646.0599 -222052.5983 164.3995 -3187.3734 -2272.1278 921491.4634 -3187.3734 -2272.1278
ENERGY: 434 20730.3412 20338.1500 5711.6061 169.3247 -337394.2701 23140.7729 0.0000 0.0000 44883.0999 -222420.9753 163.2724 -267304.0752 -222051.1464 163.2724 -2694.3108 -2227.7887 921491.4634 -2694.3108 -2227.7887
ENERGY: 435 20235.2199 20362.4016 5714.0003 170.8455 -336680.6551 23123.4091 0.0000 0.0000 44675.9841 -222398.7946 162.5190 -267074.7787 -222049.5890 162.5190 -2061.3582 -2179.8953 921491.4634 -2061.3582 -2179.8953
ENERGY: 436 19670.9240 20349.9982 5717.2345 173.0864 -336303.8805 23119.9072 0.0000 0.0000 44847.0986 -222425.6316 163.1414 -267272.7302 -222059.6958 163.1414 -1520.6597 -2145.1618 921491.4634 -1520.6597 -2145.1618
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TIMING: 440 CPU: 206.683, 0.457738/step Wall: 206.683, 0.457738/step, 0.00762896 hours remaining, 3224.078125 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
ENERGY: 440 22071.5688 20036.2369 5729.7527 186.7202 -338123.1804 23276.2481 0.0000 0.0000 44417.5461 -222405.1076 161.5788 -266822.6537 -222059.4770 161.5788 -2408.4616 -2197.9672 921491.4634 -2408.4616 -2197.9672
ENERGY: 441 22355.5489 19860.0406 5730.3487 190.1146 -338361.1712 23313.2040 0.0000 0.0000 44502.6967 -222409.2176 161.8886 -266911.9143 -222050.0857 161.8886 -2716.1030 -2221.5314 921491.4634 -2716.1030 -2221.5314
ENERGY: 442 21853.6119 19664.5346 5729.4854 192.9412 -338090.1528 23327.1563 0.0000 0.0000 44880.6322 -222441.7911 163.2634 -267322.4233 -222049.7752 163.2634 -2710.5578 -2229.0697 921491.4634 -2710.5578 -2229.0697
ENERGY: 443 21064.3317 19487.0720 5727.6164 194.9329 -337369.3143 23320.0154 0.0000 0.0000 45118.1108 -222457.2351 164.1273 -267575.3459 -222048.5993 164.1273 -2448.1649 -2220.3532 921491.4634 -2448.1649 -2220.3532
ENERGY: 444 20449.3363 19357.2688 5725.4095 195.8735 -336464.1914 23301.5272 0.0000 0.0000 44987.7177 -222447.0585 163.6530 -267434.7762 -222057.9795 163.6530 -2090.2099 -2206.4400 921491.4634 -2090.2099 -2206.4400
ENERGY: 445 20125.5607 19307.2516 5723.6513 195.6942 -335759.3906 23283.8135 0.0000 0.0000 44708.7155 -222414.7038 162.6380 -267123.4193 -222046.5425 162.6380 -1846.9625 -2201.6926 921491.4634 -1846.9625 -2201.6926
ENERGY: 446 19947.6804 19324.9005 5722.5429 194.3235 -335494.5702 23276.0447 0.0000 0.0000 44620.2946 -222408.7836 162.3164 -267029.0781 -222046.1617 162.3164 -1800.7517 -2216.7294 921491.4634 -1800.7517 -2216.7294
ENERGY: 447 19914.2848 19416.0210 5722.2107 191.8641 -335769.4396 23282.7455 0.0000 0.0000 44816.5088 -222425.8047 163.0301 -267242.3135 -222046.8340 163.0301 -1993.3112 -2253.0604 921491.4634 -1993.3112 -2253.0604
ENERGY: 448 20187.5924 19583.6800 5722.5764 188.5554 -336503.1802 23303.8901 0.0000 0.0000 45065.6674 -222451.2183 163.9365 -267516.8858 -222059.3479 163.9365 -2372.1881 -2303.7900 921491.4634 -2372.1881 -2303.7900
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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 21754.4857 20108.1300 5724.4776 181.0897 -338419.3254 23364.6241 0.0000 0.0000 44854.3098 -222432.2084 163.1677 -267286.5183 -222048.7858 163.1677 -3116.6760 -2394.3897 921491.4634 -3116.6760 -2394.3897
ENERGY: 451 22355.5904 20357.7255 5724.7143 177.6516 -338952.0913 23381.8006 0.0000 0.0000 44542.6989 -222411.9098 162.0341 -266954.6088 -222048.8244 162.0341 -3074.2536 -2405.7799 921491.4634 -3074.2536 -2405.7799
ENERGY: 452 22246.2016 20536.0135 5723.8953 174.8859 -338927.1540 23378.0943 0.0000 0.0000 44452.9199 -222415.1436 161.7075 -266868.0635 -222059.6367 161.7075 -2659.9606 -2384.7567 921491.4634 -2659.9606 -2384.7567
ENERGY: 453 21399.8727 20641.1312 5722.2878 173.1350 -338392.7936 23354.5907 0.0000 0.0000 44683.7035 -222418.0727 162.5470 -267101.7762 -222043.5368 162.5470 -2048.3337 -2342.4667 921491.4634 -2048.3337 -2342.4667
ENERGY: 454 20248.3381 20654.1376 5720.2217 172.3637 -337567.1416 23320.6902 0.0000 0.0000 45008.1465 -222443.2438 163.7273 -267451.3903 -222041.8388 163.7273 -1453.4577 -2293.1449 921491.4634 -1453.4577 -2293.1449
ENERGY: 455 19486.7906 20584.7123 5718.4844 172.5169 -336790.6453 23290.4024 0.0000 0.0000 45086.5787 -222451.1600 164.0126 -267537.7387 -222040.8567 164.0126 -1151.8821 -2255.8570 921491.4634 -1151.8821 -2255.8570
ENERGY: 456 19493.3721 20440.6803 5717.7555 173.4248 -336350.1077 23274.9633 0.0000 0.0000 44811.4724 -222438.4393 163.0118 -267249.9117 -222055.3483 163.0118 -1305.5002 -2245.5822 921491.4634 -1305.5002 -2245.5822
ENERGY: 457 20047.4929 20251.9437 5718.5580 174.9241 -336395.8167 23277.8277 0.0000 0.0000 44521.8703 -222403.2000 161.9583 -266925.0703 -222049.4130 161.9583 -1906.4163 -2263.5012 921491.4634 -1906.4163 -2263.5012
ENERGY: 458 20585.8436 20019.2725 5720.7060 176.6081 -336835.0961 23294.7176 0.0000 0.0000 44632.7887 -222405.1597 162.3618 -267037.9483 -222051.2820 162.3618 -2684.6987 -2301.0426 921491.4634 -2684.6987 -2301.0426
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TIMING: 460 CPU: 215.825, 0.45712/step Wall: 215.825, 0.45712/step, 0.00507911 hours remaining, 3224.078125 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
ENERGY: 460 21262.6141 19597.9064 5728.0971 179.4910 -338014.3770 23341.8005 0.0000 0.0000 45423.8564 -222480.6114 165.2395 -267904.4678 -222064.6833 165.2395 -3669.8202 -2365.2411 921491.4634 -3669.8202 -2365.2411
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ENERGY: 462 22264.2258 19487.8109 5736.4822 180.9531 -337988.7172 23351.1091 0.0000 0.0000 44559.9289 -222408.2072 162.0968 -266968.1361 -222056.7212 162.0968 -2954.8200 -2323.4249 921491.4634 -2954.8200 -2323.4249
ENERGY: 463 21821.1794 19513.9016 5738.9361 181.1160 -337284.1031 23326.9483 0.0000 0.0000 44313.4568 -222388.5650 161.2002 -266702.0218 -222054.6240 161.2002 -2012.4423 -2264.0777 921491.4634 -2012.4423 -2264.0777
ENERGY: 464 20535.2461 19559.9272 5739.2518 181.0096 -336389.3843 23291.1948 0.0000 0.0000 44654.0264 -222428.7284 162.4391 -267082.7548 -222058.5729 162.4391 -1050.9226 -2205.5268 921491.4634 -1050.9226 -2205.5268
ENERGY: 465 19322.7826 19631.8854 5737.2899 180.7155 -335701.1537 23259.7398 0.0000 0.0000 45094.5686 -222474.1719 164.0416 -267568.7405 -222052.9388 164.0416 -512.3344 -2174.4008 921491.4634 -512.3344 -2174.4008
ENERGY: 466 19088.4509 19708.3582 5733.2107 180.2808 -335443.7730 23245.0611 0.0000 0.0000 45020.7906 -222467.6206 163.7733 -267488.4112 -222052.9785 163.7733 -630.3312 -2182.6710 921491.4634 -630.3312 -2182.6710
ENERGY: 467 19841.8070 19783.1743 5727.6704 179.7757 -335721.0956 23249.4537 0.0000 0.0000 44523.6664 -222415.5482 161.9649 -266939.2146 -222054.3495 161.9649 -1393.6027 -2232.5923 921491.4634 -1393.6027 -2232.5923
ENERGY: 468 20761.8483 19845.4943 5721.5090 179.2779 -336451.5674 23265.8133 0.0000 0.0000 44291.6584 -222385.9663 161.1209 -266677.6246 -222056.3590 161.1209 -2508.6713 -2314.1339 921491.4634 -2508.6713 -2314.1339
ENERGY: 469 21236.3017 19910.2023 5715.6824 178.8504 -337458.3211 23284.3970 0.0000 0.0000 44720.3202 -222412.5672 162.6802 -267132.8874 -222046.0750 162.6802 -3596.7406 -2405.7972 921491.4634 -3596.7406 -2405.7972
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 19972.8936 5710.9491 178.5947 -338383.2519 23297.0681 0.0000 0.0000 45346.4575 -222466.1157 164.9579 -267812.5731 -222047.6089 164.9579 -4259.6996 -2477.6831 921491.4634 -4259.6996 -2477.6831
ENERGY: 471 21732.8680 20054.6837 5707.9626 178.5890 -338913.2464 23297.5093 0.0000 0.0000 45471.3366 -222470.2971 165.4122 -267941.6337 -222047.5359 165.4122 -4290.5685 -2504.3175 921491.4634 -4290.5685 -2504.3175
ENERGY: 472 22081.2365 20161.5554 5707.0091 178.9047 -338870.6778 23279.4500 0.0000 0.0000 45028.5295 -222433.9928 163.8014 -267462.5222 -222059.5057 163.8014 -3659.7361 -2479.9183 921491.4634 -3659.7361 -2479.9183
ENERGY: 473 21866.1365 20289.3429 5707.9843 179.6165 -338307.7201 23240.7372 0.0000 0.0000 44634.5170 -222389.3857 162.3681 -267023.9028 -222043.8538 162.3681 -2556.3616 -2408.1657 921491.4634 -2556.3616 -2408.1657
ENERGY: 474 20842.9705 20372.0988 5710.2160 180.7466 -337438.4561 23189.2357 0.0000 0.0000 44733.2304 -222409.9580 162.7272 -267143.1884 -222041.2618 162.7272 -1295.5523 -2316.2727 921491.4634 -1295.5523 -2316.2727
ENERGY: 475 19674.2079 20371.7676 5712.9876 182.2512 -336604.2320 23142.3826 0.0000 0.0000 45070.2137 -222450.4215 163.9531 -267520.6352 -222039.4528 163.9531 -344.6446 -2232.2124 921491.4634 -344.6446 -2232.2124
ENERGY: 476 19235.7861 20282.0275 5715.7683 184.0125 -336100.0908 23115.8475 0.0000 0.0000 45106.0631 -222460.5857 164.0835 -267566.6489 -222053.6134 164.0835 -92.4045 -2183.0650 921491.4634 -92.4045 -2183.0650
ENERGY: 477 19704.7250 20145.9813 5718.4976 185.9230 -336101.8793 23114.2948 0.0000 0.0000 44812.3205 -222420.1371 163.0149 -267232.4575 -222044.8407 163.0149 -667.4942 -2171.8226 921491.4634 -667.4942 -2171.8226
ENERGY: 478 20493.4778 19974.7638 5721.0254 187.7262 -336537.4039 23131.2468 0.0000 0.0000 44627.0328 -222402.1311 162.3409 -267029.1639 -222047.4103 162.3409 -1807.1601 -2198.7954 921491.4634 -1807.1601 -2198.7954
ENERGY: 479 21125.3061 19793.3955 5723.3295 189.2099 -337215.5840 23156.6779 0.0000 0.0000 44802.1573 -222425.5079 162.9779 -267227.6652 -222050.5456 162.9779 -3089.8513 -2246.7915 921491.4634 -3089.8513 -2246.7915
TIMING: 480 CPU: 224.963, 0.456919/step Wall: 224.963, 0.456919/step, 0.00253844 hours remaining, 3224.078125 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
ENERGY: 480 21624.0330 19623.1963 5725.3111 190.1901 -337854.6786 23181.5125 0.0000 0.0000 45051.6810 -222458.7548 163.8856 -267510.4358 -222064.6207 163.8856 -4077.7326 -2291.4890 921491.4634 -4077.7326 -2291.4890
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ENERGY: 482 22186.3469 19466.6792 5728.4963 190.3598 -338044.5416 23192.7480 0.0000 0.0000 44865.8515 -222414.0598 163.2096 -267279.9114 -222051.4110 163.2096 -4059.3098 -2278.0614 921491.4634 -4059.3098 -2278.0614
ENERGY: 483 21553.1414 19511.5742 5729.5660 189.3227 -337426.2182 23165.8746 0.0000 0.0000 44861.8965 -222414.8427 163.1952 -267276.7393 -222048.7670 163.1952 -2964.1722 -2216.4115 921491.4634 -2964.1722 -2216.4115
ENERGY: 484 20460.8926 19631.1937 5730.2465 187.5455 -336590.8883 23126.1356 0.0000 0.0000 45003.6029 -222451.2715 163.7107 -267454.8744 -222059.8740 163.7107 -1565.2423 -2143.1848 921491.4634 -1565.2423 -2143.1848
ENERGY: 485 19688.7720 19800.2990 5730.5256 185.2458 -335902.5866 23092.8475 0.0000 0.0000 44955.5724 -222449.3244 163.5360 -267404.8968 -222045.9604 163.5360 -422.1567 -2086.8735 921491.4634 -422.1567 -2086.8735
ENERGY: 486 19602.5427 19954.8175 5729.7197 182.4662 -335612.3570 23080.3812 0.0000 0.0000 44645.9117 -222416.5180 162.4096 -267062.4296 -222044.6758 162.4096 87.3183 -2070.0981 921491.4634 87.3183 -2070.0981
ENERGY: 487 19881.0927 20072.0213 5727.4347 179.4360 -335846.4487 23091.0548 0.0000 0.0000 44503.3494 -222392.0597 161.8910 -266895.4092 -222045.2405 161.8910 -192.2345 -2106.8840 921491.4634 -192.2345 -2106.8840
ENERGY: 488 20125.2102 20156.1363 5723.5440 176.4338 -336552.5458 23118.8620 0.0000 0.0000 44827.0559 -222425.3036 163.0685 -267252.3595 -222057.1933 163.0685 -1145.7532 -2194.6679 921491.4634 -1145.7532 -2194.6679
ENERGY: 489 20526.8875 20236.4612 5718.5748 173.8639 -337540.4663 23156.7313 0.0000 0.0000 45266.1008 -222461.8467 164.6656 -267727.9476 -222045.6080 164.6656 -2511.2405 -2316.7066 921491.4634 -2511.2405 -2316.7066
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7493 20292.9025 5712.8912 171.8438 -338458.1370 23196.4880 0.0000 0.0000 45213.5634 -222459.6988 164.4745 -267673.2622 -222048.2202 164.4745 -3823.4040 -2437.4155 921491.4634 -3823.4040 -2437.4155
ENERGY: 491 22430.4642 20312.1365 5707.3795 170.5404 -338984.5802 23226.0940 0.0000 0.0000 44733.0094 -222404.9563 162.7264 -267137.9657 -222049.4633 162.7264 -4629.6936 -2524.6215 921491.4634 -4629.6936 -2524.6215
ENERGY: 492 22612.9549 20289.6815 5702.9944 170.0207 -338937.5827 23232.7207 0.0000 0.0000 44542.1956 -222387.0148 162.0323 -266929.2105 -222060.3858 162.0323 -4606.8527 -2557.4730 921491.4634 -4606.8527 -2557.4730
ENERGY: 493 21558.2189 20260.7378 5700.7779 170.3200 -338358.0643 23214.0539 0.0000 0.0000 45033.8235 -222420.1323 163.8207 -267453.9559 -222046.5898 163.8207 -3796.3821 -2540.0997 921491.4634 -3796.3821 -2540.0997
ENERGY: 494 20068.3367 20225.0264 5700.9805 171.2193 -337454.3844 23183.0797 0.0000 0.0000 45622.2481 -222483.4937 165.9612 -268105.7418 -222044.0865 165.9612 -2500.8993 -2482.1070 921491.4634 -2500.8993 -2482.1070
ENERGY: 495 19383.2463 20186.8303 5703.5926 172.5416 -336566.9895 23159.4627 0.0000 0.0000 45484.1238 -222477.1923 165.4587 -267961.3160 -222041.5561 165.4587 -1249.6837 -2407.3057 921491.4634 -1249.6837 -2407.3057
ENERGY: 496 19722.4834 20130.6473 5708.0350 174.0933 -335998.7163 23154.2638 0.0000 0.0000 44699.5278 -222409.6658 162.6046 -267109.1935 -222049.0668 162.6046 -478.8997 -2343.4752 921491.4634 -478.8997 -2343.4752
ENERGY: 497 20212.6669 20059.9175 5713.4613 175.7242 -335952.5050 23166.3548 0.0000 0.0000 44261.0295 -222363.3508 161.0095 -266624.3804 -222042.7498 161.0095 -421.0233 -2316.7930 921491.4634 -421.0233 -2316.7930
ENERGY: 498 20182.0167 19957.1214 5718.5596 177.2604 -336366.4942 23189.3588 0.0000 0.0000 44728.2542 -222413.9231 162.7091 -267142.1773 -222044.5217 162.7091 -993.4680 -2331.6474 921491.4634 -993.4680 -2331.6474
ENERGY: 499 20158.0682 19847.7306 5722.4089 178.6361 -337058.4833 23219.2406 0.0000 0.0000 45439.2651 -222493.1337 165.2956 -267932.3988 -222047.2060 165.2956 -2020.8689 -2376.3392 921491.4634 -2020.8689 -2376.3392
Info: Benchmark time: 4 CPUs 0.456596 s/step 5.28468 days/ns 3224.08 MB memory
TIMING: 500 CPU: 234.025, 0.453082/step Wall: 234.025, 0.453082/step, 0 hours remaining, 3224.078125 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
ENERGY: 500 20974.8940 19756.6581 5724.4523 179.8271 -337741.4202 23251.1011 0.0000 0.0000 45359.0785 -222495.4090 165.0039 -267854.4875 -222061.0908 165.0039 -3197.5171 -2425.4143 921491.4634 -3197.5171 -2425.4143
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.016 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.016 MB of memory in use
====================================================
WallClock: 241.077072 CPUTime: 241.077072 Memory: 3229.015625 MB
[Partition 0][Node 0] End of program
Application 1112155 resources: utime ~947s, stime ~19s, Rss ~126428, inblocks ~66664, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.077072
CPU=241.077072
MEM=3229.015625
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 21 14:51 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 21 14:51 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 21 14:51 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 21 14:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189490 Dec 21 14:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 21 14:45 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 21 14:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 21 14:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 21 14:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 21 14:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 21 14:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 21 14:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 21 14:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 21 14:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 21 14:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 21 14:21 retest
drwxr-xr-x 12 bwjenkins BW_System 4096 Sep 8 2010 tcl8.5.9
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins15442999208507222649.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}
