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 ============== 54.4466
LDB: Largest compute 200 load 0.429316 is 1.2% of average load 36.804272
LDB: Average compute 0.051560 is 0.1% of average load 36.804272
LDB: Partitioning computes with target load 3.680427
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055550
LDB: ============== END OF LOAD BALANCING =============== 54.4487
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.4495
Info: Initial time: 4 CPUs 0.474483 s/step 5.4917 days/ns 3221.58 MB memory
TIMING: 100 CPU: 48.4224, 0.473584/step Wall: 48.4224, 0.473584/step, 0.0526205 hours remaining, 3221.578125 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 ============== 63.9008
LDB: ============== END OF LOAD BALANCING =============== 63.9008
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.9013
TIMING: 120 CPU: 57.8734, 0.472549/step Wall: 57.8734, 0.472549/step, 0.0498802 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 19195.4802 5730.8549 192.8766 -333203.4343 21083.5324 0.0000 0.0000 42784.9639 -222340.8739 155.6399 -265125.8377 -222213.1815 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.3209, 0.472376/step Wall: 67.3209, 0.472376/step, 0.0472376 hours remaining, 3221.886719 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: 76.7568, 0.471797/step Wall: 76.7568, 0.471797/step, 0.0445586 hours remaining, 3222.234375 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 18733.9560 5737.6245 154.5770 -332975.2978 21015.2132 0.0000 0.0000 43101.1544 -222314.9826 156.7902 -265416.1371 -222126.1323 156.7902 -2936.2257 -2665.7683 921491.4634 -2936.2257 -2665.7683
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TIMING: 180 CPU: 86.1788, 0.4711/step Wall: 86.1788, 0.4711/step, 0.0418756 hours remaining, 3222.234375 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 187 22073.2967 19471.4303 5678.7398 184.6336 -333156.1126 21076.9264 0.0000 0.0000 42449.0055 -222222.0802 154.4178 -264671.0857 -222130.9080 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 ============== 101.631
LDB: Largest compute 200 load 0.423742 is 1.2% of average load 36.625058
LDB: Average compute 0.051301 is 0.1% of average load 36.625058
LDB: TIME 101.633 LOAD: AVG 36.6251 MAX 37.7299 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.58 MB
LDB: TIME 101.635 LOAD: AVG 36.6251 MAX 37.5779 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.58 MB
LDB: ============== END OF LOAD BALANCING =============== 101.637
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.64
Info: Initial time: 4 CPUs 0.471742 s/step 5.45998 days/ns 3223.82 MB memory
TIMING: 200 CPU: 95.6063, 0.471371/step Wall: 95.6063, 0.471371/step, 0.039281 hours remaining, 3223.816406 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: 105.042, 0.471804/step Wall: 105.042, 0.471804/step, 0.0366959 hours remaining, 3223.816406 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: 114.47, 0.471378/step Wall: 114.47, 0.471378/step, 0.0340439 hours remaining, 3223.816406 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 20878.5480 19853.7026 5716.8932 174.1558 -334213.1207 21705.0850 0.0000 0.0000 43600.4181 -222284.3181 158.6063 -265884.7362 -222067.4299 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5287 19979.6441 5712.7400 177.5412 -334802.1845 21719.8454 0.0000 0.0000 44912.1911 -222431.6940 163.3782 -267343.8851 -222068.1397 163.3782 -983.0000 -2552.5931 921491.4634 -983.0000 -2552.5931
ENERGY: 248 19035.4925 20164.4298 5713.8450 181.3144 -335623.1355 21746.4310 0.0000 0.0000 46185.9361 -222595.6867 168.0117 -268781.6228 -222090.3129 168.0117 -1359.1248 -2608.3066 921491.4634 -1359.1248 -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 20899.4408 18950.9578 5693.4518 195.6570 -332975.5972 21757.6847 0.0000 0.0000 43181.1610 -222297.2441 157.0812 -265478.4051 -222071.2742 157.0812 -2042.2408 -2664.5199 921491.4634 -2042.2408 -2664.5199
ENERGY: 257 20029.5653 18878.1873 5681.1759 194.7976 -333481.0039 21780.2419 0.0000 0.0000 44488.5466 -222428.4893 161.8371 -266917.0359 -222060.1686 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5867 18882.0665 5673.2911 193.6684 -334373.1545 21817.5077 0.0000 0.0000 45796.2576 -222556.7765 166.5942 -268353.0340 -222062.0611 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
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TIMING: 260 CPU: 123.888, 0.470898/step Wall: 123.888, 0.470898/step, 0.0313932 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: 264 19385.2257 20436.4305 5710.6950 187.5052 -334855.9509 21907.7773 0.0000 0.0000 44751.4782 -222476.8391 162.7936 -267228.3172 -222069.1985 162.7936 -2191.1925 -2723.5293 921491.4634 -2191.1925 -2723.5293
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ENERGY: 267 19648.0906 20691.2679 5707.0583 187.8501 -334831.4857 21930.8375 0.0000 0.0000 44220.2166 -222446.1648 160.8610 -266666.3814 -222055.6586 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9161 20375.7516 5700.1930 187.9286 -335513.7452 21959.1258 0.0000 0.0000 44823.5375 -222504.2926 163.0557 -267327.8301 -222075.9877 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 276 19401.8500 19594.7508 5701.2547 182.4904 -333292.1281 21971.0411 0.0000 0.0000 44028.5270 -222412.2142 160.1637 -266440.7411 -222072.9396 160.1637 -1580.1299 -2417.6040 921491.4634 -1580.1299 -2417.6040
ENERGY: 277 19149.2972 19724.7159 5695.5210 182.9396 -333864.3454 21997.2389 0.0000 0.0000 44632.8109 -222481.8219 162.3619 -267114.6329 -222061.0989 162.3619 -2311.7544 -2498.0544 921491.4634 -2311.7544 -2498.0544
ENERGY: 278 20199.4577 19713.7758 5686.9122 183.6585 -334821.1004 22041.3361 0.0000 0.0000 44532.2538 -222463.7063 161.9961 -266995.9601 -222063.4132 161.9961 -3254.8157 -2593.7696 921491.4634 -3254.8157 -2593.7696
ENERGY: 279 21984.3649 19593.9429 5677.5176 184.5187 -335888.5801 22096.4201 0.0000 0.0000 43975.0879 -222376.7281 159.9693 -266351.8160 -222065.2025 159.9693 -4044.3214 -2682.8389 921491.4634 -4044.3214 -2682.8389
TIMING: 280 CPU: 133.293, 0.47028/step Wall: 133.293, 0.47028/step, 0.0287393 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: 286 19396.6307 20966.5622 5721.5031 185.8229 -334658.1149 22176.6865 0.0000 0.0000 43785.6879 -222425.2215 159.2803 -266210.9094 -222054.0585 159.2803 -1306.7501 -2717.2847 921491.4634 -1306.7501 -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 ============== 148.743
LDB: Largest compute 200 load 0.522791 is 1.1% of average load 45.754154
LDB: Average compute 0.064089 is 0.1% of average load 45.754154
LDB: TIME 148.745 LOAD: AVG 45.7542 MAX 47.1027 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.48 MB
LDB: TIME 148.745 LOAD: AVG 45.7542 MAX 47.1027 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.48 MB
LDB: TIME 148.761 LOAD: AVG 45.7542 MAX 46.2783 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.48 MB
LDB: ============== END OF LOAD BALANCING =============== 148.763
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.764
Info: Initial time: 4 CPUs 0.470735 s/step 5.44833 days/ns 3224.48 MB memory
TIMING: 300 CPU: 142.701, 0.47039/step Wall: 142.701, 0.47039/step, 0.0261328 hours remaining, 3224.476562 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: 151.932, 0.461515/step Wall: 151.932, 0.461515/step, 0.0230758 hours remaining, 3224.476562 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: 161.152, 0.461002/step Wall: 161.152, 0.461002/step, 0.020489 hours remaining, 3224.476562 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: 170.366, 0.460697/step Wall: 170.366, 0.460697/step, 0.017916 hours remaining, 3224.476562 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 19323.8973 19612.6016 5699.8913 181.0103 -336175.2003 22790.5193 0.0000 0.0000 46034.3489 -222532.9316 167.4603 -268567.2805 -222068.5921 167.4603 -1420.0424 -2476.3757 921491.4634 -1420.0424 -2476.3757
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ENERGY: 368 20561.5936 19748.2121 5739.6691 179.8275 -335728.0878 22808.6654 0.0000 0.0000 44272.8406 -222417.2795 161.0524 -266690.1201 -222068.2914 161.0524 -2928.4886 -2487.3070 921491.4634 -2928.4886 -2487.3070
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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 20646.4607 20251.1593 5706.5521 182.3248 -335763.5802 22794.3776 0.0000 0.0000 43848.2752 -222334.4304 159.5080 -266182.7057 -222041.4015 159.5080 -1819.5856 -2472.4985 921491.4634 -1819.5856 -2472.4985
ENERGY: 378 20473.8099 20495.6594 5711.4639 183.2952 -336584.2280 22821.5839 0.0000 0.0000 44474.7534 -222423.6623 161.7869 -266898.4157 -222044.3969 161.7869 -2972.9873 -2523.3498 921491.4634 -2972.9873 -2523.3498
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TIMING: 380 CPU: 179.573, 0.460393/step Wall: 179.573, 0.460393/step, 0.0153464 hours remaining, 3224.476562 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 19625.4111 19596.0354 5710.5349 179.0647 -336052.0491 22884.2536 0.0000 0.0000 45539.1832 -222517.5662 165.6590 -268056.7493 -222062.0930 165.6590 -569.2378 -2166.9358 921491.4634 -569.2378 -2166.9358
ENERGY: 385 19327.8179 19356.8912 5707.7752 177.4354 -335210.6405 22871.6145 0.0000 0.0000 45299.7170 -222469.3893 164.7879 -267769.1063 -222051.0997 164.7879 215.3516 -2064.3637 921491.4634 215.3516 -2064.3637
ENERGY: 386 19981.2272 19220.9465 5707.6638 175.9384 -334865.1822 22880.7959 0.0000 0.0000 44519.8585 -222378.7519 161.9510 -266898.6104 -222051.0441 161.9510 122.6670 -2011.2428 921491.4634 122.6670 -2011.2428
ENERGY: 387 20367.2859 19202.4844 5710.9355 174.6759 -335109.8730 22905.2745 0.0000 0.0000 44377.1815 -222372.0353 161.4320 -266749.2168 -222053.0054 161.4320 -738.9585 -2019.1689 921491.4634 -738.9585 -2019.1689
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 194.848
LDB: Largest compute 230 load 0.522989 is 1.1% of average load 45.644068
LDB: Average compute 0.063913 is 0.1% of average load 45.644068
LDB: TIME 194.849 LOAD: AVG 45.6441 MAX 46.0836 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.48 MB
LDB: TIME 194.85 LOAD: AVG 45.6441 MAX 46.0836 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.48 MB
LDB: TIME 194.85 LOAD: AVG 45.6441 MAX 46.0836 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.48 MB
LDB: ============== END OF LOAD BALANCING =============== 194.851
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.851
Info: Benchmark time: 4 CPUs 0.46081 s/step 5.33345 days/ns 3224.48 MB memory
TIMING: 400 CPU: 188.786, 0.46064/step Wall: 188.786, 0.46064/step, 0.0127956 hours remaining, 3224.476562 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 22444.0479 19835.9109 5715.8942 173.8391 -338107.6292 23109.6377 0.0000 0.0000 44436.8099 -222391.4894 161.6489 -266828.2992 -222049.2230 161.6489 -4939.3796 -2681.7025 921491.4634 -4939.3796 -2681.7025
ENERGY: 403 20784.9694 19778.4828 5715.7218 174.2695 -337239.9788 23077.8402 0.0000 0.0000 45225.5963 -222483.0988 164.5183 -267708.6951 -222046.6858 164.5183 -3613.5978 -2605.7429 921491.4634 -3613.5978 -2605.7429
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ENERGY: 408 19735.8468 19387.6644 5692.2152 187.5226 -335902.8221 23017.8174 0.0000 0.0000 45394.4123 -222487.3434 165.1324 -267881.7557 -222063.5314 165.1324 -920.8282 -2294.1556 921491.4634 -920.8282 -2294.1556
ENERGY: 409 20350.1186 19376.4607 5688.4775 191.1592 -336896.6850 23057.9924 0.0000 0.0000 45733.6060 -222498.8706 166.3663 -268232.4766 -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
ENERGY: 410 21850.5210 19470.1802 5687.6650 194.4179 -337813.1850 23106.2031 0.0000 0.0000 45077.0716 -222427.1262 163.9780 -267504.1979 -222054.6429 163.9780 -3838.6213 -2402.0240 921491.4634 -3838.6213 -2402.0240
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ENERGY: 412 22535.8951 19878.8220 5694.3234 198.8205 -338356.4979 23146.2938 0.0000 0.0000 44499.5086 -222402.8345 161.8770 -266902.3431 -222068.4601 161.8770 -4717.2139 -2436.3027 921491.4634 -4717.2139 -2436.3027
ENERGY: 413 21130.1416 20138.5248 5699.9334 199.7191 -337872.5324 23125.1119 0.0000 0.0000 45113.2144 -222465.8871 164.1095 -267579.1016 -222055.3455 164.1095 -3850.6269 -2398.9548 921491.4634 -3850.6269 -2398.9548
ENERGY: 414 19987.3855 20381.5506 5705.1135 199.5118 -337122.7803 23094.4561 0.0000 0.0000 45271.6529 -222483.1099 164.6858 -267754.7628 -222052.1625 164.6858 -2501.3241 -2333.9463 921491.4634 -2501.3241 -2333.9463
ENERGY: 415 19745.2665 20572.1259 5708.7452 198.1487 -336456.1978 23071.1995 0.0000 0.0000 44733.2274 -222427.4847 162.7272 -267160.7121 -222049.0348 162.7272 -1174.6451 -2266.5615 921491.4634 -1174.6451 -2266.5615
ENERGY: 416 19942.3168 20661.9896 5710.0857 195.6953 -336157.5868 23063.1719 0.0000 0.0000 44200.2851 -222384.0423 160.7885 -266584.3274 -222052.9647 160.7885 -282.7613 -2224.6897 921491.4634 -282.7613 -2224.6897
ENERGY: 417 20031.3748 20631.3210 5709.0494 192.4696 -336373.1082 23072.1102 0.0000 0.0000 44338.4620 -222398.3212 161.2911 -266736.7832 -222044.6996 161.2911 -112.4553 -2227.1699 921491.4634 -112.4553 -2227.1699
ENERGY: 418 20154.6646 20457.0910 5705.5848 188.6536 -336970.7874 23098.6730 0.0000 0.0000 44915.1424 -222450.9781 163.3889 -267366.1204 -222046.7095 163.3889 -671.8546 -2269.9921 921491.4634 -671.8546 -2269.9921
ENERGY: 419 20790.7629 20185.5524 5700.4811 184.6055 -337717.8764 23139.8028 0.0000 0.0000 45250.3102 -222466.3616 164.6082 -267716.6717 -222049.5953 164.6082 -1783.9422 -2336.6464 921491.4634 -1783.9422 -2336.6464
TIMING: 420 CPU: 197.967, 0.459036/step Wall: 197.967, 0.459036/step, 0.0102008 hours remaining, 3224.476562 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 422 22275.7614 19449.5351 5688.9976 174.4058 -338225.0322 23208.5480 0.0000 0.0000 45004.7082 -222423.0761 163.7148 -267427.7842 -222052.8453 163.7148 -4363.1151 -2465.6372 921491.4634 -4363.1151 -2465.6372
ENERGY: 423 21418.8984 19324.4274 5689.6736 172.2146 -337416.8963 23180.6045 0.0000 0.0000 45183.9711 -222447.1067 164.3669 -267631.0778 -222051.5236 164.3669 -3955.8306 -2434.9305 921491.4634 -3955.8306 -2434.9305
ENERGY: 424 20531.3308 19270.7817 5692.6543 170.6563 -336406.2771 23140.4651 0.0000 0.0000 45151.0455 -222449.3435 164.2471 -267600.3891 -222060.4132 164.2471 -3030.1607 -2370.2032 921491.4634 -3030.1607 -2370.2032
ENERGY: 425 19942.3359 19314.5609 5697.3263 169.6877 -335607.5212 23103.7925 0.0000 0.0000 44956.0478 -222423.7702 163.5377 -267379.8180 -222050.7967 163.5377 -1980.9651 -2297.0089 921491.4634 -1980.9651 -2297.0089
ENERGY: 426 19603.3345 19432.3070 5702.4947 169.0990 -335270.6881 23080.2897 0.0000 0.0000 44862.7381 -222420.4250 163.1983 -267283.1632 -222049.1094 163.1983 -1125.8049 -2237.7214 921491.4634 -1125.8049 -2237.7214
ENERGY: 427 19598.5314 19595.2899 5707.1504 168.7509 -335498.4323 23074.5011 0.0000 0.0000 44915.2772 -222438.9314 163.3894 -267354.2086 -222048.7342 163.3894 -741.9008 -2207.6354 921491.4634 -741.9008 -2207.6354
ENERGY: 428 20140.4225 19760.4171 5710.4629 168.5259 -336199.9856 23087.7681 0.0000 0.0000 44884.2591 -222448.1300 163.2766 -267332.3891 -222058.0552 163.2766 -935.5731 -2206.9583 921491.4634 -935.5731 -2206.9583
ENERGY: 429 21147.3674 19912.0619 5712.1358 168.3557 -337181.5910 23116.4525 0.0000 0.0000 44706.5240 -222418.6937 162.6300 -267125.2177 -222045.4884 162.6300 -1630.8084 -2233.4560 921491.4634 -1630.8084 -2233.4560
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9872 20024.3738 5712.1700 168.1897 -338096.9207 23149.4497 0.0000 0.0000 44626.3094 -222402.4409 162.3382 -267028.7503 -222047.3918 162.3382 -2472.2456 -2268.0463 921491.4634 -2472.2456 -2268.0463
ENERGY: 431 22204.1022 20111.4154 5711.2600 168.0704 -338644.7647 23172.3808 0.0000 0.0000 44858.4624 -222419.0735 163.1828 -267277.5359 -222048.7172 163.1828 -3116.2805 -2293.5590 921491.4634 -3116.2805 -2293.5590
ENERGY: 432 21768.3704 20188.6725 5710.3547 168.1086 -338651.2103 23176.0849 0.0000 0.0000 45177.9904 -222461.6289 164.3451 -267639.6193 -222065.9062 164.3451 -3350.2742 -2296.1497 921491.4634 -3350.2742 -2296.1497
ENERGY: 433 21200.9071 20275.9664 5710.3763 168.4633 -338164.0638 23162.2913 0.0000 0.0000 45192.9280 -222453.1315 164.3995 -267646.0595 -222052.5986 164.3995 -3187.3733 -2272.1276 921491.4634 -3187.3733 -2272.1276
ENERGY: 434 20730.3410 20338.1499 5711.6061 169.3247 -337394.2704 23140.7737 0.0000 0.0000 44883.0995 -222420.9755 163.2724 -267304.0750 -222051.1466 163.2724 -2694.3107 -2227.7885 921491.4634 -2694.3107 -2227.7885
ENERGY: 435 20235.2199 20362.4014 5714.0003 170.8455 -336680.6555 23123.4098 0.0000 0.0000 44675.9838 -222398.7948 162.5190 -267074.7786 -222049.5892 162.5190 -2061.3581 -2179.8951 921491.4634 -2061.3581 -2179.8951
ENERGY: 436 19670.9241 20349.9980 5717.2346 173.0864 -336303.8809 23119.9078 0.0000 0.0000 44847.0982 -222425.6318 163.1414 -267272.7301 -222059.6960 163.1414 -1520.6596 -2145.1615 921491.4634 -1520.6596 -2145.1615
ENERGY: 437 19434.5514 20329.5092 5720.9894 175.9827 -336411.9783 23136.3868 0.0000 0.0000 45159.2687 -222455.2902 164.2770 -267614.5589 -222050.7504 164.2770 -1319.1167 -2134.4847 921491.4634 -1319.1167 -2134.4847
ENERGY: 438 19935.1529 20278.6095 5724.6884 179.3848 -336899.4576 23173.5519 0.0000 0.0000 45148.1325 -222459.9375 164.2365 -267608.0700 -222051.5670 164.2365 -1493.0940 -2145.0880 921491.4634 -1493.0940 -2145.0880
ENERGY: 439 21052.7404 20184.4297 5727.7929 183.0561 -337561.7719 23224.7481 0.0000 0.0000 44760.8213 -222428.1834 162.8276 -267189.0047 -222052.7967 162.8276 -1936.1988 -2169.8746 921491.4634 -1936.1988 -2169.8746
TIMING: 440 CPU: 207.145, 0.458892/step Wall: 207.145, 0.458892/step, 0.00764821 hours remaining, 3224.476562 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 22071.5682 20036.2373 5729.7527 186.7201 -338123.1809 23276.2485 0.0000 0.0000 44417.5460 -222405.1081 161.5788 -266822.6541 -222059.4775 161.5788 -2408.4613 -2197.9671 921491.4634 -2408.4613 -2197.9671
ENERGY: 441 22355.5486 19860.0411 5730.3488 190.1145 -338361.1719 23313.2044 0.0000 0.0000 44502.6964 -222409.2181 161.8886 -266911.9145 -222050.0862 161.8886 -2716.1027 -2221.5313 921491.4634 -2716.1027 -2221.5313
ENERGY: 442 21853.6116 19664.5352 5729.4854 192.9411 -338090.1537 23327.1566 0.0000 0.0000 44880.6321 -222441.7916 163.2634 -267322.4237 -222049.7758 163.2634 -2710.5576 -2229.0695 921491.4634 -2710.5576 -2229.0695
ENERGY: 443 21064.3313 19487.0725 5727.6165 194.9329 -337369.3154 23320.0156 0.0000 0.0000 45118.1109 -222457.2357 164.1273 -267575.3466 -222048.5998 164.1273 -2448.1647 -2220.3530 921491.4634 -2448.1647 -2220.3530
ENERGY: 444 20449.3361 19357.2691 5725.4095 195.8734 -336464.1928 23301.5274 0.0000 0.0000 44987.7179 -222447.0593 163.6530 -267434.7772 -222057.9802 163.6530 -2090.2099 -2206.4399 921491.4634 -2090.2099 -2206.4399
ENERGY: 445 20125.5607 19307.2518 5723.6513 195.6942 -335759.3919 23283.8136 0.0000 0.0000 44708.7156 -222414.7046 162.6380 -267123.4202 -222046.5433 162.6380 -1846.9626 -2201.6926 921491.4634 -1846.9626 -2201.6926
ENERGY: 446 19947.6805 19324.9006 5722.5430 194.3235 -335494.5713 23276.0448 0.0000 0.0000 44620.2946 -222408.7843 162.3164 -267029.0789 -222046.1625 162.3164 -1800.7518 -2216.7294 921491.4634 -1800.7518 -2216.7294
ENERGY: 447 19914.2847 19416.0210 5722.2107 191.8641 -335769.4404 23282.7455 0.0000 0.0000 44816.5089 -222425.8054 163.0301 -267242.3143 -222046.8347 163.0301 -1993.3113 -2253.0603 921491.4634 -1993.3113 -2253.0603
ENERGY: 448 20187.5918 19583.6800 5722.5765 188.5554 -336503.1803 23303.8902 0.0000 0.0000 45065.6676 -222451.2189 163.9365 -267516.8865 -222059.3484 163.9365 -2372.1880 -2303.7899 921491.4634 -2372.1880 -2303.7899
ENERGY: 449 20877.4057 19832.6986 5723.5713 184.8596 -337500.9074 23334.5921 0.0000 0.0000 45101.1679 -222446.6123 164.0657 -267547.7802 -222047.7103 164.0657 -2827.1083 -2356.1408 921491.4634 -2827.1083 -2356.1408
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4852 20108.1300 5724.4776 181.0897 -338419.3252 23364.6241 0.0000 0.0000 44854.3096 -222432.2090 163.1677 -267286.5186 -222048.7864 163.1677 -3116.6758 -2394.3897 921491.4634 -3116.6758 -2394.3897
ENERGY: 451 22355.5901 20357.7255 5724.7144 177.6517 -338952.0912 23381.8006 0.0000 0.0000 44542.6986 -222411.9104 162.0341 -266954.6090 -222048.8249 162.0341 -3074.2535 -2405.7799 921491.4634 -3074.2535 -2405.7799
ENERGY: 452 22246.2013 20536.0134 5723.8953 174.8859 -338927.1542 23378.0943 0.0000 0.0000 44452.9197 -222415.1443 161.7075 -266868.0640 -222059.6373 161.7075 -2659.9606 -2384.7569 921491.4634 -2659.9606 -2384.7569
ENERGY: 453 21399.8724 20641.1311 5722.2879 173.1350 -338392.7940 23354.5907 0.0000 0.0000 44683.7036 -222418.0733 162.5470 -267101.7769 -222043.5375 162.5470 -2048.3339 -2342.4669 921491.4634 -2048.3339 -2342.4669
ENERGY: 454 20248.3379 20654.1374 5720.2217 172.3637 -337567.1422 23320.6902 0.0000 0.0000 45008.1468 -222443.2445 163.7273 -267451.3913 -222041.8394 163.7273 -1453.4579 -2293.1451 921491.4634 -1453.4579 -2293.1451
ENERGY: 455 19486.7906 20584.7122 5718.4844 172.5169 -336790.6461 23290.4024 0.0000 0.0000 45086.5790 -222451.1606 164.0126 -267537.7396 -222040.8573 164.0126 -1151.8824 -2255.8572 921491.4634 -1151.8824 -2255.8572
ENERGY: 456 19493.3721 20440.6803 5717.7556 173.4248 -336350.1086 23274.9632 0.0000 0.0000 44811.4726 -222438.4399 163.0118 -267249.9126 -222055.3490 163.0118 -1305.5005 -2245.5824 921491.4634 -1305.5005 -2245.5824
ENERGY: 457 20047.4927 20251.9439 5718.5580 174.9241 -336395.8177 23277.8276 0.0000 0.0000 44521.8707 -222403.2007 161.9583 -266925.0713 -222049.4137 161.9583 -1906.4166 -2263.5014 921491.4634 -1906.4166 -2263.5014
ENERGY: 458 20585.8432 20019.2728 5720.7061 176.6081 -336835.0972 23294.7175 0.0000 0.0000 44632.7892 -222405.1604 162.3618 -267037.9495 -222051.2827 162.3618 -2684.6989 -2301.0428 921491.4634 -2684.6989 -2301.0428
ENERGY: 459 20903.4944 19784.9695 5724.0021 178.1985 -337468.1657 23318.6986 0.0000 0.0000 45113.9370 -222444.8657 164.1121 -267558.8027 -222053.1416 164.1121 -3350.5833 -2341.5797 921491.4634 -3350.5833 -2341.5797
TIMING: 460 CPU: 216.316, 0.458567/step Wall: 216.316, 0.458567/step, 0.00509519 hours remaining, 3224.476562 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 19597.9068 5728.0971 179.4910 -338014.3780 23341.8005 0.0000 0.0000 45423.8568 -222480.6120 165.2395 -267904.4687 -222064.6839 165.2395 -3669.8203 -2365.2413 921491.4634 -3669.8203 -2365.2413
ENERGY: 461 21862.8764 19507.1079 5732.5753 180.4333 -338251.6228 23355.3939 0.0000 0.0000 45154.6140 -222458.6223 164.2601 -267613.2362 -222058.0510 164.2601 -3556.1667 -2361.1800 921491.4634 -3556.1667 -2361.1800
ENERGY: 462 22264.2255 19487.8111 5736.4822 180.9531 -337988.7181 23351.1090 0.0000 0.0000 44559.9294 -222408.2078 162.0968 -266968.1372 -222056.7217 162.0968 -2954.8200 -2323.4251 921491.4634 -2954.8200 -2323.4251
ENERGY: 463 21821.1789 19513.9017 5738.9361 181.1160 -337284.1038 23326.9481 0.0000 0.0000 44313.4575 -222388.5656 161.2002 -266702.0231 -222054.6245 161.2002 -2012.4423 -2264.0778 921491.4634 -2012.4423 -2264.0778
ENERGY: 464 20535.2458 19559.9273 5739.2518 181.0096 -336389.3849 23291.1946 0.0000 0.0000 44654.0270 -222428.7288 162.4391 -267082.7559 -222058.5733 162.4391 -1050.9225 -2205.5268 921491.4634 -1050.9225 -2205.5268
ENERGY: 465 19322.7826 19631.8854 5737.2898 180.7155 -335701.1541 23259.7395 0.0000 0.0000 45094.5689 -222474.1723 164.0416 -267568.7412 -222052.9391 164.0416 -512.3345 -2174.4008 921491.4634 -512.3345 -2174.4008
ENERGY: 466 19088.4510 19708.3581 5733.2107 180.2808 -335443.7732 23245.0608 0.0000 0.0000 45020.7907 -222467.6210 163.7733 -267488.4117 -222052.9789 163.7733 -630.3313 -2182.6709 921491.4634 -630.3313 -2182.6709
ENERGY: 467 19841.8069 19783.1742 5727.6704 179.7757 -335721.0957 23249.4535 0.0000 0.0000 44523.6665 -222415.5486 161.9649 -266939.2151 -222054.3498 161.9649 -1393.6029 -2232.5923 921491.4634 -1393.6029 -2232.5923
ENERGY: 468 20761.8479 19845.4942 5721.5089 179.2779 -336451.5672 23265.8131 0.0000 0.0000 44291.6585 -222385.9666 161.1209 -266677.6251 -222056.3594 161.1209 -2508.6714 -2314.1339 921491.4634 -2508.6714 -2314.1339
ENERGY: 469 21236.3014 19910.2021 5715.6824 178.8504 -337458.3208 23284.3967 0.0000 0.0000 44720.3202 -222412.5676 162.6802 -267132.8877 -222046.0753 162.6802 -3596.7406 -2405.7971 921491.4634 -3596.7406 -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 21411.1731 19972.8934 5710.9491 178.5947 -338383.2514 23297.0678 0.0000 0.0000 45346.4573 -222466.1160 164.9579 -267812.5732 -222047.6092 164.9579 -4259.6995 -2477.6830 921491.4634 -4259.6995 -2477.6830
ENERGY: 471 21732.8678 20054.6835 5707.9626 178.5890 -338913.2459 23297.5091 0.0000 0.0000 45471.3364 -222470.2974 165.4122 -267941.6338 -222047.5362 165.4122 -4290.5683 -2504.3174 921491.4634 -4290.5683 -2504.3174
ENERGY: 472 22081.2359 20161.5552 5707.0091 178.9047 -338870.6776 23279.4498 0.0000 0.0000 45028.5295 -222433.9934 163.8014 -267462.5230 -222059.5063 163.8014 -3659.7359 -2479.9183 921491.4634 -3659.7359 -2479.9183
ENERGY: 473 21866.1359 20289.3427 5707.9843 179.6165 -338307.7200 23240.7370 0.0000 0.0000 44634.5173 -222389.3864 162.3681 -267023.9037 -222043.8544 162.3681 -2556.3614 -2408.1656 921491.4634 -2556.3614 -2408.1656
ENERGY: 474 20842.9701 20372.0988 5710.2160 180.7466 -337438.4561 23189.2355 0.0000 0.0000 44733.2305 -222409.9587 162.7272 -267143.1892 -222041.2625 162.7272 -1295.5522 -2316.2727 921491.4634 -1295.5522 -2316.2727
ENERGY: 475 19674.2078 20371.7676 5712.9876 182.2512 -336604.2322 23142.3825 0.0000 0.0000 45070.2135 -222450.4221 163.9530 -267520.6356 -222039.4535 163.9530 -344.6447 -2232.2124 921491.4634 -344.6447 -2232.2124
ENERGY: 476 19235.7860 20282.0277 5715.7683 184.0125 -336100.0912 23115.8474 0.0000 0.0000 45106.0628 -222460.5865 164.0835 -267566.6493 -222053.6141 164.0835 -92.4048 -2183.0651 921491.4634 -92.4048 -2183.0651
ENERGY: 477 19704.7248 20145.9817 5718.4976 185.9230 -336101.8799 23114.2947 0.0000 0.0000 44812.3204 -222420.1378 163.0149 -267232.4582 -222044.8415 163.0149 -667.4945 -2171.8227 921491.4634 -667.4945 -2171.8227
ENERGY: 478 20493.4774 19974.7641 5721.0254 187.7262 -336537.4047 23131.2468 0.0000 0.0000 44627.0329 -222402.1318 162.3409 -267029.1648 -222047.4110 162.3409 -1807.1603 -2198.7955 921491.4634 -1807.1603 -2198.7955
ENERGY: 479 21125.3057 19793.3959 5723.3295 189.2099 -337215.5849 23156.6780 0.0000 0.0000 44802.1574 -222425.5086 162.9779 -267227.6661 -222050.5463 162.9779 -3089.8515 -2246.7916 921491.4634 -3089.8515 -2246.7916
TIMING: 480 CPU: 225.48, 0.458216/step Wall: 225.48, 0.458216/step, 0.00254565 hours remaining, 3224.476562 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 19623.1966 5725.3111 190.1900 -337854.6796 23181.5126 0.0000 0.0000 45051.6811 -222458.7554 163.8856 -267510.4365 -222064.6214 163.8856 -4077.7325 -2291.4890 921491.4634 -4077.7325 -2291.4890
ENERGY: 481 22092.4854 19510.0434 5727.0952 190.6351 -338199.2491 23196.7967 0.0000 0.0000 45041.3366 -222440.8567 163.8480 -267482.1933 -222052.5270 163.8480 -4466.2392 -2305.6731 921491.4634 -4466.2392 -2305.6731
ENERGY: 482 22186.3466 19466.6795 5728.4964 190.3598 -338044.5428 23192.7482 0.0000 0.0000 44865.8520 -222414.0605 163.2096 -267279.9124 -222051.4117 163.2096 -4059.3096 -2278.0613 921491.4634 -4059.3096 -2278.0613
ENERGY: 483 21553.1410 19511.5745 5729.5660 189.3226 -337426.2194 23165.8748 0.0000 0.0000 44861.8970 -222414.8434 163.1953 -267276.7404 -222048.7676 163.1953 -2964.1720 -2216.4114 921491.4634 -2964.1720 -2216.4114
ENERGY: 484 20460.8923 19631.1939 5730.2465 187.5455 -336590.8893 23126.1359 0.0000 0.0000 45003.6032 -222451.2720 163.7107 -267454.8752 -222059.8745 163.7107 -1565.2422 -2143.1848 921491.4634 -1565.2422 -2143.1848
ENERGY: 485 19688.7720 19800.2992 5730.5256 185.2458 -335902.5875 23092.8478 0.0000 0.0000 44955.5723 -222449.3248 163.5360 -267404.8971 -222045.9609 163.5360 -422.1567 -2086.8734 921491.4634 -422.1567 -2086.8734
ENERGY: 486 19602.5427 19954.8177 5729.7198 182.4662 -335612.3578 23080.3815 0.0000 0.0000 44645.9115 -222416.5184 162.4096 -267062.4299 -222044.6763 162.4096 87.3182 -2070.0980 921491.4634 87.3182 -2070.0980
ENERGY: 487 19881.0924 20072.0213 5727.4348 179.4360 -335846.4494 23091.0552 0.0000 0.0000 44503.3494 -222392.0602 161.8910 -266895.4097 -222045.2410 161.8910 -192.2345 -2106.8839 921491.4634 -192.2345 -2106.8839
ENERGY: 488 20125.2097 20156.1362 5723.5441 176.4338 -336552.5464 23118.8625 0.0000 0.0000 44827.0560 -222425.3042 163.0685 -267252.3602 -222057.1940 163.0685 -1145.7533 -2194.6679 921491.4634 -1145.7533 -2194.6679
ENERGY: 489 20526.8871 20236.4609 5718.5749 173.8639 -337540.4668 23156.7319 0.0000 0.0000 45266.1008 -222461.8474 164.6656 -267727.9482 -222045.6087 164.6656 -2511.2403 -2316.7065 921491.4634 -2511.2403 -2316.7065
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7490 20292.9022 5712.8912 171.8438 -338458.1375 23196.4886 0.0000 0.0000 45213.5632 -222459.6994 164.4745 -267673.2627 -222048.2209 164.4745 -3823.4037 -2437.4154 921491.4634 -3823.4037 -2437.4154
ENERGY: 491 22430.4640 20312.1361 5707.3795 170.5404 -338984.5809 23226.0946 0.0000 0.0000 44733.0093 -222404.9570 162.7264 -267137.9663 -222049.4639 162.7264 -4629.6933 -2524.6214 921491.4634 -4629.6933 -2524.6214
ENERGY: 492 22612.9546 20289.6812 5702.9944 170.0207 -338937.5835 23232.7214 0.0000 0.0000 44542.1956 -222387.0155 162.0323 -266929.2111 -222060.3865 162.0323 -4606.8523 -2557.4728 921491.4634 -4606.8523 -2557.4728
ENERGY: 493 21558.2186 20260.7376 5700.7779 170.3200 -338358.0653 23214.0546 0.0000 0.0000 45033.8234 -222420.1330 163.8207 -267453.9565 -222046.5905 163.8207 -3796.3818 -2540.0995 921491.4634 -3796.3818 -2540.0995
ENERGY: 494 20068.3366 20225.0264 5700.9806 171.2192 -337454.3855 23183.0805 0.0000 0.0000 45622.2478 -222483.4944 165.9612 -268105.7422 -222044.0872 165.9612 -2500.8991 -2482.1067 921491.4634 -2500.8991 -2482.1067
ENERGY: 495 19383.2463 20186.8305 5703.5926 172.5416 -336566.9906 23159.4635 0.0000 0.0000 45484.1232 -222477.1929 165.4587 -267961.3161 -222041.5568 165.4587 -1249.6836 -2407.3054 921491.4634 -1249.6836 -2407.3054
ENERGY: 496 19722.4834 20130.6476 5708.0350 174.0933 -335998.7171 23154.2646 0.0000 0.0000 44699.5271 -222409.6661 162.6046 -267109.1932 -222049.0672 162.6046 -478.8995 -2343.4748 921491.4634 -478.8995 -2343.4748
ENERGY: 497 20212.6666 20059.9179 5713.4613 175.7241 -335952.5057 23166.3556 0.0000 0.0000 44261.0290 -222363.3512 161.0095 -266624.3802 -222042.7502 161.0095 -421.0229 -2316.7925 921491.4634 -421.0229 -2316.7925
ENERGY: 498 20182.0162 19957.1218 5718.5596 177.2604 -336366.4947 23189.3596 0.0000 0.0000 44728.2536 -222413.9235 162.7091 -267142.1771 -222044.5221 162.7091 -993.4675 -2331.6469 921491.4634 -993.4675 -2331.6469
ENERGY: 499 20158.0676 19847.7310 5722.4089 178.6361 -337058.4836 23219.2415 0.0000 0.0000 45439.2644 -222493.1341 165.2956 -267932.3985 -222047.2064 165.2956 -2020.8683 -2376.3387 921491.4634 -2020.8683 -2376.3387
Info: Benchmark time: 4 CPUs 0.457872 s/step 5.29945 days/ns 3224.48 MB memory
TIMING: 500 CPU: 234.574, 0.454658/step Wall: 234.574, 0.454658/step, 0 hours remaining, 3224.476562 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 20974.8936 19756.6585 5724.4523 179.8271 -337741.4203 23251.1020 0.0000 0.0000 45359.0776 -222495.4092 165.0039 -267854.4869 -222061.0910 165.0039 -3197.5163 -2425.4138 921491.4634 -3197.5163 -2425.4138
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, 3229.770 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.770 MB of memory in use
====================================================
WallClock: 241.528793 CPUTime: 241.528793 Memory: 3229.769531 MB
[Partition 0][Node 0] End of program
Application 102717811 resources: utime ~948s, stime ~19s, Rss ~127300, inblocks ~67175, outblocks ~72238
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins5446936007825772691.sh
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_2:/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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