Skipping 716 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 ============== 55.3831
LDB: Largest compute 200 load 0.430193 is 1.2% of average load 36.837680
LDB: Average compute 0.051603 is 0.1% of average load 36.837680
LDB: Partitioning computes with target load 3.683768
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055897
LDB: ============== END OF LOAD BALANCING =============== 55.3851
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 55.386
Info: Initial time: 4 CPUs 0.474152 s/step 5.48787 days/ns 3221.54 MB memory
TIMING: 100 CPU: 48.3897, 0.473318/step Wall: 48.3897, 0.473318/step, 0.0525909 hours remaining, 3221.539062 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 ============== 64.8339
LDB: ============== END OF LOAD BALANCING =============== 64.8339
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.8344
TIMING: 120 CPU: 57.8371, 0.472368/step Wall: 57.8371, 0.472368/step, 0.049861 hours remaining, 3221.675781 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 19195.4802 5730.8549 192.8766 -333203.4342 21083.5324 0.0000 0.0000 42784.9638 -222340.8739 155.6399 -265125.8377 -222213.1815 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.2764, 0.471967/step Wall: 67.2764, 0.471967/step, 0.0471967 hours remaining, 3221.828125 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 21015.8993 19956.3834 5767.3089 192.0924 -334899.3754 20845.5771 0.0000 0.0000 44606.5896 -222515.5246 162.2665 -267122.1143 -222153.2668 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
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TIMING: 160 CPU: 76.7066, 0.47151/step Wall: 76.7066, 0.47151/step, 0.0445315 hours remaining, 3222.113281 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: 86.1239, 0.470863/step Wall: 86.1239, 0.470863/step, 0.0418545 hours remaining, 3222.253906 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 -333156.1128 21076.9265 0.0000 0.0000 42449.0055 -222222.0804 154.4178 -264671.0859 -222130.9082 154.4178 -3641.8537 -2802.0867 921491.4634 -3641.8537 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 102.54
LDB: Largest compute 200 load 0.426387 is 1.2% of average load 36.661799
LDB: Average compute 0.051351 is 0.1% of average load 36.661799
LDB: TIME 102.542 LOAD: AVG 36.6618 MAX 37.706 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.57 MB
LDB: TIME 102.544 LOAD: AVG 36.6618 MAX 37.6306 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.57 MB
LDB: ============== END OF LOAD BALANCING =============== 102.546
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 102.549
Info: Initial time: 4 CPUs 0.471487 s/step 5.45702 days/ns 3223.81 MB memory
TIMING: 200 CPU: 95.548, 0.471206/step Wall: 95.548, 0.471206/step, 0.0392671 hours remaining, 3223.808594 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: 104.994, 0.472295/step Wall: 104.994, 0.472295/step, 0.0367341 hours remaining, 3223.808594 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: 114.429, 0.471766/step Wall: 114.429, 0.471766/step, 0.034072 hours remaining, 3223.808594 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 22110.7716 20111.8209 5758.5348 169.0441 -335904.8196 21831.0569 0.0000 0.0000 43526.8718 -222396.7196 158.3388 -265923.5914 -222063.5737 158.3388 -4623.1688 -2633.0913 921491.4634 -4623.1688 -2633.0913
ENERGY: 243 19462.3621 19969.6445 5749.3614 168.8705 -335233.7068 21770.4749 0.0000 0.0000 45537.0688 -222575.9246 165.6513 -268112.9934 -222061.6675 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
ENERGY: 244 18822.2465 19849.3934 5737.4544 169.6534 -334482.6009 21720.5677 0.0000 0.0000 45629.1661 -222554.1194 165.9864 -268183.2855 -222078.7771 165.9864 -2667.7298 -2573.2149 921491.4634 -2667.7298 -2573.2149
ENERGY: 245 20148.2368 19811.7599 5725.7784 171.4559 -334087.5946 21701.2471 0.0000 0.0000 44168.5247 -222360.5917 160.6730 -266529.1164 -222068.6365 160.6730 -1771.6901 -2533.5454 921491.4634 -1771.6901 -2533.5454
ENERGY: 246 20878.5480 19853.7024 5716.8932 174.1558 -334213.1205 21705.0852 0.0000 0.0000 43600.4181 -222284.3178 158.6063 -265884.7359 -222067.4295 158.6063 -1173.7929 -2523.3911 921491.4634 -1173.7929 -2523.3911
ENERGY: 247 19868.5286 19979.6439 5712.7400 177.5412 -334802.1841 21719.8456 0.0000 0.0000 44912.1911 -222431.6937 163.3782 -267343.8848 -222068.1394 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4924 20164.4295 5713.8450 181.3144 -335623.1353 21746.4312 0.0000 0.0000 46185.9361 -222595.6867 168.0117 -268781.6228 -222090.3129 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: 256 20899.4409 18950.9578 5693.4518 195.6570 -332975.5974 21757.6849 0.0000 0.0000 43181.1611 -222297.2440 157.0812 -265478.4050 -222071.2741 157.0812 -2042.2409 -2664.5198 921491.4634 -2042.2409 -2664.5198
ENERGY: 257 20029.5653 18878.1874 5681.1759 194.7976 -333481.0040 21780.2421 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 19453.5866 18882.0667 5673.2911 193.6684 -334373.1546 21817.5079 0.0000 0.0000 45796.2576 -222556.7764 166.5942 -268353.0340 -222062.0610 166.5942 -2331.2327 -2737.1919 921491.4634 -2331.2327 -2737.1919
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TIMING: 260 CPU: 123.853, 0.471208/step Wall: 123.853, 0.471208/step, 0.0314139 hours remaining, 3224.113281 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 19385.2259 20436.4305 5710.6950 187.5052 -334855.9512 21907.7774 0.0000 0.0000 44751.4782 -222476.8389 162.7936 -267228.3172 -222069.1984 162.7936 -2191.1926 -2723.5293 921491.4634 -2191.1926 -2723.5293
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ENERGY: 267 19648.0906 20691.2678 5707.0583 187.8501 -334831.4855 21930.8375 0.0000 0.0000 44220.2166 -222446.1646 160.8610 -266666.3813 -222055.6585 160.8610 -2435.4234 -2662.6782 921491.4634 -2435.4234 -2662.6782
ENERGY: 268 19962.9160 20375.7515 5700.1930 187.9286 -335513.7450 21959.1258 0.0000 0.0000 44823.5375 -222504.2925 163.0557 -267327.8300 -222075.9876 163.0557 -2903.2124 -2658.6180 921491.4634 -2903.2124 -2658.6180
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1931 19450.9168 5690.3173 187.1618 -336650.6775 22028.8071 0.0000 0.0000 44308.0074 -222365.2739 161.1804 -266673.2813 -222067.0436 161.1804 -3583.3633 -2617.7582 921491.4634 -3583.3633 -2617.7582
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ENERGY: 272 21021.5584 18896.0662 5692.8269 184.9335 -335921.4614 22015.0581 0.0000 0.0000 45607.7074 -222503.3109 165.9083 -268111.0183 -222081.1571 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2136 18932.9081 5697.5118 183.8526 -334925.7012 21985.5297 0.0000 0.0000 45502.7160 -222499.9695 165.5264 -268002.6855 -222069.0458 165.5264 -1837.1974 -2434.6759 921491.4634 -1837.1974 -2434.6759
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ENERGY: 277 19149.2972 19724.7161 5695.5210 182.9396 -333864.3456 21997.2388 0.0000 0.0000 44632.8110 -222481.8219 162.3619 -267114.6329 -222061.0989 162.3619 -2311.7544 -2498.0544 921491.4634 -2311.7544 -2498.0544
ENERGY: 278 20199.4576 19713.7761 5686.9122 183.6585 -334821.1005 22041.3360 0.0000 0.0000 44532.2539 -222463.7063 161.9961 -266995.9602 -222063.4132 161.9961 -3254.8156 -2593.7696 921491.4634 -3254.8156 -2593.7696
ENERGY: 279 21984.3647 19593.9432 5677.5176 184.5187 -335888.5802 22096.4200 0.0000 0.0000 43975.0880 -222376.7281 159.9693 -266351.8160 -222065.2025 159.9693 -4044.3212 -2682.8389 921491.4634 -4044.3212 -2682.8389
TIMING: 280 CPU: 133.265, 0.470562/step Wall: 133.265, 0.470562/step, 0.0287566 hours remaining, 3224.113281 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 20789.9627 5707.3565 186.7145 -334827.1966 22167.0166 0.0000 0.0000 43418.2631 -222354.5546 157.9437 -265772.8176 -222053.5967 157.9437 -1010.8438 -2700.0820 921491.4634 -1010.8438 -2700.0820
ENERGY: 286 19396.6310 20966.5621 5721.5031 185.8229 -334658.1148 22176.6863 0.0000 0.0000 43785.6881 -222425.2213 159.2803 -266210.9094 -222054.0583 159.2803 -1306.7502 -2717.2846 921491.4634 -1306.7502 -2717.2846
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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 ============== 149.687
LDB: Largest compute 200 load 0.520533 is 1.1% of average load 45.780812
LDB: Average compute 0.064137 is 0.1% of average load 45.780812
LDB: TIME 149.689 LOAD: AVG 45.7808 MAX 47.1382 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.31 MB
LDB: TIME 149.69 LOAD: AVG 45.7808 MAX 47.1382 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.31 MB
LDB: TIME 149.695 LOAD: AVG 45.7808 MAX 46.2948 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.31 MB
LDB: ============== END OF LOAD BALANCING =============== 149.696
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 149.697
Info: Initial time: 4 CPUs 0.471079 s/step 5.4523 days/ns 3224.31 MB memory
TIMING: 300 CPU: 142.666, 0.470062/step Wall: 142.666, 0.470062/step, 0.0261145 hours remaining, 3224.312500 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: 151.907, 0.46204/step Wall: 151.907, 0.46204/step, 0.023102 hours remaining, 3224.312500 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: 161.139, 0.461598/step Wall: 161.139, 0.461597/step, 0.0205154 hours remaining, 3224.312500 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: 170.369, 0.461519/step Wall: 170.369, 0.461519/step, 0.017948 hours remaining, 3224.312500 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 19612.6012 5699.8913 181.0103 -336175.1995 22790.5188 0.0000 0.0000 46034.3489 -222532.9315 167.4603 -268567.2804 -222068.5921 167.4603 -1420.0427 -2476.3758 921491.4634 -1420.0427 -2476.3758
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ENERGY: 368 20561.5937 19748.2119 5739.6691 179.8275 -335728.0871 22808.6647 0.0000 0.0000 44272.8406 -222417.2796 161.0524 -266690.1203 -222068.2915 161.0524 -2928.4887 -2487.3071 921491.4634 -2928.4887 -2487.3071
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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: 370 21302.3703 19815.7282 5738.6028 179.1429 -337296.0553 22846.3044 0.0000 0.0000 44920.4946 -222493.4120 163.4084 -267413.9066 -222062.2629 163.4084 -4081.4437 -2576.8191 921491.4634 -4081.4437 -2576.8191
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ENERGY: 377 20646.4609 20251.1593 5706.5521 182.3248 -335763.5798 22794.3766 0.0000 0.0000 43848.2755 -222334.4305 159.5080 -266182.7060 -222041.4016 159.5080 -1819.5859 -2472.4988 921491.4634 -1819.5859 -2472.4988
ENERGY: 378 20473.8099 20495.6595 5711.4639 183.2952 -336584.2274 22821.5829 0.0000 0.0000 44474.7537 -222423.6624 161.7869 -266898.4160 -222044.3970 161.7869 -2972.9874 -2523.3501 921491.4634 -2972.9874 -2523.3501
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TIMING: 380 CPU: 179.592, 0.461127/step Wall: 179.592, 0.461127/step, 0.0153709 hours remaining, 3224.312500 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 19596.0353 5710.5349 179.0647 -336052.0482 22884.2526 0.0000 0.0000 45539.1833 -222517.5660 165.6590 -268056.7493 -222062.0928 165.6590 -569.2382 -2166.9360 921491.4634 -569.2382 -2166.9360
ENERGY: 385 19327.8180 19356.8912 5707.7751 177.4354 -335210.6397 22871.6136 0.0000 0.0000 45299.7171 -222469.3892 164.7879 -267769.1063 -222051.0995 164.7879 215.3511 -2064.3638 921491.4634 215.3511 -2064.3638
ENERGY: 386 19981.2273 19220.9465 5707.6638 175.9385 -334865.1813 22880.7950 0.0000 0.0000 44519.8585 -222378.7518 161.9510 -266898.6102 -222051.0439 161.9510 122.6667 -2011.2429 921491.4634 122.6667 -2011.2429
ENERGY: 387 20367.2861 19202.4845 5710.9354 174.6759 -335109.8720 22905.2736 0.0000 0.0000 44377.1813 -222372.0351 161.4320 -266749.2164 -222053.0052 161.4320 -738.9587 -2019.1690 921491.4634 -738.9587 -2019.1690
ENERGY: 388 20282.3986 19280.0168 5717.2934 173.7038 -335824.1511 22938.2893 0.0000 0.0000 44972.7758 -222459.6733 163.5986 -267432.4491 -222067.4819 163.5986 -2063.8555 -2076.2822 921491.4634 -2063.8555 -2076.2822
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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 19906.7786 20200.7712 5721.4919 176.2273 -336102.8177 22990.0373 0.0000 0.0000 44712.8669 -222394.6445 162.6531 -267107.5114 -222042.6603 162.6531 -376.0864 -2327.2103 921491.4634 -376.0864 -2327.2103
ENERGY: 398 19692.8115 20133.3593 5716.9814 176.0456 -336812.3380 23014.0584 0.0000 0.0000 45592.7318 -222486.3500 165.8538 -268079.0818 -222045.7226 165.8538 -1710.2237 -2443.6966 921491.4634 -1710.2237 -2443.6966
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LDB: ============= START OF LOAD BALANCING ============== 195.849
LDB: Largest compute 230 load 0.529767 is 1.2% of average load 45.745764
LDB: Average compute 0.064047 is 0.1% of average load 45.745764
LDB: TIME 195.85 LOAD: AVG 45.7458 MAX 46.1515 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.31 MB
LDB: TIME 195.851 LOAD: AVG 45.7458 MAX 46.1515 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.31 MB
LDB: TIME 195.851 LOAD: AVG 45.7458 MAX 46.1515 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.31 MB
LDB: ============== END OF LOAD BALANCING =============== 195.852
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 195.852
Info: Benchmark time: 4 CPUs 0.461438 s/step 5.34072 days/ns 3224.31 MB memory
TIMING: 400 CPU: 188.814, 0.461101/step Wall: 188.814, 0.461101/step, 0.0128084 hours remaining, 3224.312500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 402 22444.0480 19835.9108 5715.8942 173.8391 -338107.6285 23109.6379 0.0000 0.0000 44436.8091 -222391.4893 161.6489 -266828.2984 -222049.2229 161.6489 -4939.3794 -2681.7024 921491.4634 -4939.3794 -2681.7024
ENERGY: 403 20784.9694 19778.4828 5715.7218 174.2695 -337239.9783 23077.8404 0.0000 0.0000 45225.5957 -222483.0987 164.5183 -267708.6944 -222046.6857 164.5183 -3613.5977 -2605.7428 921491.4634 -3613.5977 -2605.7428
ENERGY: 404 19687.5951 19735.4028 5713.8114 175.5084 -336169.1140 23038.2903 0.0000 0.0000 45313.8388 -222504.6672 164.8393 -267818.5060 -222060.2374 164.8393 -1967.0747 -2494.0438 921491.4634 -1967.0747 -2494.0438
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ENERGY: 406 20210.3506 19614.0443 5704.4965 180.4779 -334953.8237 22994.4767 0.0000 0.0000 43902.7655 -222347.2123 159.7062 -266249.9778 -222046.2407 159.7062 66.0352 -2300.4795 921491.4634 66.0352 -2300.4795
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ENERGY: 408 19735.8469 19387.6643 5692.2152 187.5226 -335902.8216 23017.8178 0.0000 0.0000 45394.4113 -222487.3435 165.1324 -267881.7548 -222063.5314 165.1324 -920.8280 -2294.1555 921491.4634 -920.8280 -2294.1555
ENERGY: 409 20350.1184 19376.4606 5688.4775 191.1593 -336896.6843 23057.9927 0.0000 0.0000 45733.6052 -222498.8706 166.3663 -268232.4759 -222051.6707 166.3663 -2367.4918 -2346.9324 921491.4634 -2367.4918 -2346.9324
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 410 21850.5208 19470.1801 5687.6649 194.4179 -337813.1841 23106.2033 0.0000 0.0000 45077.0707 -222427.1263 163.9780 -267504.1970 -222054.6430 163.9780 -3838.6209 -2402.0238 921491.4634 -3838.6209 -2402.0238
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ENERGY: 413 21130.1415 20138.5250 5699.9334 199.7191 -337872.5313 23125.1120 0.0000 0.0000 45113.2132 -222465.8872 164.1095 -267579.1004 -222055.3456 164.1095 -3850.6267 -2398.9547 921491.4634 -3850.6267 -2398.9547
ENERGY: 414 19987.3853 20381.5508 5705.1135 199.5118 -337122.7793 23094.4561 0.0000 0.0000 45271.6518 -222483.1100 164.6858 -267754.7617 -222052.1626 164.6858 -2501.3240 -2333.9462 921491.4634 -2501.3240 -2333.9462
ENERGY: 415 19745.2664 20572.1261 5708.7452 198.1487 -336456.1968 23071.1994 0.0000 0.0000 44733.2263 -222427.4847 162.7272 -267160.7110 -222049.0349 162.7272 -1174.6451 -2266.5614 921491.4634 -1174.6451 -2266.5614
ENERGY: 416 19942.3169 20661.9898 5710.0857 195.6953 -336157.5858 23063.1717 0.0000 0.0000 44200.2838 -222384.0424 160.7885 -266584.3263 -222052.9648 160.7885 -282.7613 -2224.6896 921491.4634 -282.7613 -2224.6896
ENERGY: 417 20031.3750 20631.3211 5709.0494 192.4696 -336373.1072 23072.1100 0.0000 0.0000 44338.4609 -222398.3213 161.2911 -266736.7821 -222044.6996 161.2911 -112.4553 -2227.1699 921491.4634 -112.4553 -2227.1699
ENERGY: 418 20154.6646 20457.0911 5705.5847 188.6536 -336970.7864 23098.6726 0.0000 0.0000 44915.1415 -222450.9782 163.3889 -267366.1197 -222046.7096 163.3889 -671.8546 -2269.9921 921491.4634 -671.8546 -2269.9921
ENERGY: 419 20790.7628 20185.5525 5700.4811 184.6054 -337717.8753 23139.8023 0.0000 0.0000 45250.3095 -222466.3617 164.6082 -267716.6712 -222049.5953 164.6082 -1783.9421 -2336.6465 921491.4634 -1783.9421 -2336.6465
TIMING: 420 CPU: 198.01, 0.459809/step Wall: 198.01, 0.459809/step, 0.010218 hours remaining, 3224.312500 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 19449.5350 5688.9976 174.4058 -338225.0312 23208.5473 0.0000 0.0000 45004.7079 -222423.0761 163.7148 -267427.7840 -222052.8453 163.7148 -4363.1153 -2465.6374 921491.4634 -4363.1153 -2465.6374
ENERGY: 423 21418.8984 19324.4273 5689.6736 172.2145 -337416.8954 23180.6036 0.0000 0.0000 45183.9712 -222447.1067 164.3669 -267631.0779 -222051.5236 164.3669 -3955.8308 -2434.9307 921491.4634 -3955.8308 -2434.9307
ENERGY: 424 20531.3307 19270.7815 5692.6543 170.6563 -336406.2760 23140.4642 0.0000 0.0000 45151.0459 -222449.3432 164.2471 -267600.3891 -222060.4128 164.2471 -3030.1609 -2370.2033 921491.4634 -3030.1609 -2370.2033
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ENERGY: 427 19598.5316 19595.2896 5707.1504 168.7509 -335498.4318 23074.5001 0.0000 0.0000 44915.2781 -222438.9311 163.3894 -267354.2092 -222048.7339 163.3894 -741.9010 -2207.6356 921491.4634 -741.9010 -2207.6356
ENERGY: 428 20140.4227 19760.4168 5710.4629 168.5259 -336199.9854 23087.7671 0.0000 0.0000 44884.2603 -222448.1298 163.2766 -267332.3901 -222058.0550 163.2766 -935.5733 -2206.9586 921491.4634 -935.5733 -2206.9586
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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 22013.9872 20024.3737 5712.1700 168.1897 -338096.9206 23149.4486 0.0000 0.0000 44626.3107 -222402.4407 162.3383 -267028.7513 -222047.3916 162.3383 -2472.2458 -2268.0466 921491.4634 -2472.2458 -2268.0466
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ENERGY: 432 21768.3704 20188.6725 5710.3547 168.1086 -338651.2106 23176.0839 0.0000 0.0000 45177.9916 -222461.6290 164.3451 -267639.6206 -222065.9063 164.3451 -3350.2745 -2296.1500 921491.4634 -3350.2745 -2296.1500
ENERGY: 433 21200.9070 20275.9665 5710.3763 168.4633 -338164.0642 23162.2903 0.0000 0.0000 45192.9291 -222453.1316 164.3995 -267646.0607 -222052.5987 164.3995 -3187.3736 -2272.1279 921491.4634 -3187.3736 -2272.1279
ENERGY: 434 20730.3411 20338.1501 5711.6061 169.3247 -337394.2708 23140.7728 0.0000 0.0000 44883.1004 -222420.9757 163.2724 -267304.0760 -222051.1467 163.2724 -2694.3111 -2227.7888 921491.4634 -2694.3111 -2227.7888
ENERGY: 435 20235.2201 20362.4017 5714.0003 170.8455 -336680.6558 23123.4091 0.0000 0.0000 44675.9843 -222398.7949 162.5190 -267074.7792 -222049.5894 162.5190 -2061.3585 -2179.8954 921491.4634 -2061.3585 -2179.8954
ENERGY: 436 19670.9243 20349.9983 5717.2345 173.0864 -336303.8817 23119.9072 0.0000 0.0000 44847.0986 -222425.6324 163.1414 -267272.7310 -222059.6966 163.1414 -1520.6602 -2145.1621 921491.4634 -1520.6602 -2145.1621
ENERGY: 437 19434.5515 20329.5093 5720.9893 175.9827 -336411.9788 23136.3862 0.0000 0.0000 45159.2690 -222455.2908 164.2770 -267614.5598 -222050.7510 164.2770 -1319.1172 -2134.4852 921491.4634 -1319.1172 -2134.4852
ENERGY: 438 19935.1530 20278.6095 5724.6884 179.3848 -336899.4579 23173.5514 0.0000 0.0000 45148.1327 -222459.9381 164.2365 -267608.0708 -222051.5675 164.2365 -1493.0944 -2145.0884 921491.4634 -1493.0944 -2145.0884
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TIMING: 440 CPU: 207.2, 0.459511/step Wall: 207.2, 0.459511/step, 0.00765852 hours remaining, 3224.312500 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 22071.5683 20036.2369 5729.7527 186.7201 -338123.1799 23276.2482 0.0000 0.0000 44417.5458 -222405.1079 161.5788 -266822.6537 -222059.4773 161.5788 -2408.4613 -2197.9672 921491.4634 -2408.4613 -2197.9672
ENERGY: 441 22355.5487 19860.0407 5730.3488 190.1146 -338361.1706 23313.2041 0.0000 0.0000 44502.6960 -222409.2179 161.8886 -266911.9139 -222050.0860 161.8886 -2716.1028 -2221.5314 921491.4634 -2716.1028 -2221.5314
ENERGY: 442 21853.6117 19664.5347 5729.4854 192.9412 -338090.1523 23327.1564 0.0000 0.0000 44880.6316 -222441.7913 163.2634 -267322.4229 -222049.7755 163.2634 -2710.5577 -2229.0697 921491.4634 -2710.5577 -2229.0697
ENERGY: 443 21064.3313 19487.0720 5727.6164 194.9329 -337369.3139 23320.0155 0.0000 0.0000 45118.1104 -222457.2354 164.1273 -267575.3458 -222048.5996 164.1273 -2448.1650 -2220.3532 921491.4634 -2448.1650 -2220.3532
ENERGY: 444 20449.3360 19357.2687 5725.4095 195.8735 -336464.1914 23301.5273 0.0000 0.0000 44987.7173 -222447.0592 163.6530 -267434.7764 -222057.9801 163.6530 -2090.2101 -2206.4401 921491.4634 -2090.2101 -2206.4401
ENERGY: 445 20125.5607 19307.2515 5723.6513 195.6942 -335759.3906 23283.8136 0.0000 0.0000 44708.7149 -222414.7045 162.6380 -267123.4194 -222046.5432 162.6380 -1846.9628 -2201.6927 921491.4634 -1846.9628 -2201.6927
ENERGY: 446 19947.6805 19324.9003 5722.5430 194.3235 -335494.5702 23276.0449 0.0000 0.0000 44620.2938 -222408.7842 162.3164 -267029.0780 -222046.1624 162.3164 -1800.7519 -2216.7295 921491.4634 -1800.7519 -2216.7295
ENERGY: 447 19914.2848 19416.0208 5722.2107 191.8641 -335769.4395 23282.7456 0.0000 0.0000 44816.5082 -222425.8053 163.0301 -267242.3135 -222046.8346 163.0301 -1993.3113 -2253.0604 921491.4634 -1993.3113 -2253.0604
ENERGY: 448 20187.5919 19583.6798 5722.5764 188.5554 -336503.1794 23303.8902 0.0000 0.0000 45065.6670 -222451.2186 163.9365 -267516.8856 -222059.3482 163.9365 -2372.1877 -2303.7898 921491.4634 -2372.1877 -2303.7898
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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 21754.4853 20108.1300 5724.4776 181.0897 -338419.3246 23364.6242 0.0000 0.0000 44854.3091 -222432.2087 163.1676 -267286.5178 -222048.7861 163.1676 -3116.6755 -2394.3896 921491.4634 -3116.6755 -2394.3896
ENERGY: 451 22355.5902 20357.7256 5724.7144 177.6517 -338952.0906 23381.8006 0.0000 0.0000 44542.6981 -222411.9101 162.0341 -266954.6082 -222048.8246 162.0341 -3074.2532 -2405.7797 921491.4634 -3074.2532 -2405.7797
ENERGY: 452 22246.2013 20536.0136 5723.8953 174.8859 -338927.1537 23378.0942 0.0000 0.0000 44452.9192 -222415.1441 161.7075 -266868.0634 -222059.6372 161.7075 -2659.9606 -2384.7568 921491.4634 -2659.9606 -2384.7568
ENERGY: 453 21399.8723 20641.1313 5722.2878 173.1350 -338392.7934 23354.5906 0.0000 0.0000 44683.7032 -222418.0732 162.5470 -267101.7763 -222043.5373 162.5470 -2048.3340 -2342.4669 921491.4634 -2048.3340 -2342.4669
ENERGY: 454 20248.3378 20654.1376 5720.2217 172.3637 -337567.1416 23320.6900 0.0000 0.0000 45008.1464 -222443.2443 163.7273 -267451.3907 -222041.8393 163.7273 -1453.4580 -2293.1451 921491.4634 -1453.4580 -2293.1451
ENERGY: 455 19486.7906 20584.7123 5718.4844 172.5169 -336790.6455 23290.4022 0.0000 0.0000 45086.5786 -222451.1605 164.0126 -267537.7391 -222040.8572 164.0126 -1151.8826 -2255.8572 921491.4634 -1151.8826 -2255.8572
ENERGY: 456 19493.3722 20440.6802 5717.7556 173.4248 -336350.1076 23274.9630 0.0000 0.0000 44811.4724 -222438.4393 163.0118 -267249.9117 -222055.3484 163.0118 -1305.5003 -2245.5822 921491.4634 -1305.5003 -2245.5822
ENERGY: 457 20047.4929 20251.9436 5718.5580 174.9241 -336395.8166 23277.8273 0.0000 0.0000 44521.8706 -222403.2000 161.9583 -266925.0706 -222049.4131 161.9583 -1906.4164 -2263.5012 921491.4634 -1906.4164 -2263.5012
ENERGY: 458 20585.8435 20019.2724 5720.7061 176.6081 -336835.0961 23294.7171 0.0000 0.0000 44632.7892 -222405.1597 162.3618 -267037.9489 -222051.2820 162.3618 -2684.6986 -2301.0426 921491.4634 -2684.6986 -2301.0426
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TIMING: 460 CPU: 216.383, 0.459135/step Wall: 216.383, 0.459135/step, 0.0051015 hours remaining, 3224.312500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6140 19597.9063 5728.0972 179.4910 -338014.3770 23341.7999 0.0000 0.0000 45423.8570 -222480.6116 165.2395 -267904.4686 -222064.6836 165.2395 -3669.8203 -2365.2413 921491.4634 -3669.8203 -2365.2413
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ENERGY: 462 22264.2255 19487.8108 5736.4823 180.9531 -337988.7170 23351.1083 0.0000 0.0000 44559.9296 -222408.2074 162.0968 -266968.1370 -222056.7214 162.0968 -2954.8201 -2323.4252 921491.4634 -2954.8201 -2323.4252
ENERGY: 463 21821.1790 19513.9015 5738.9361 181.1160 -337284.1028 23326.9474 0.0000 0.0000 44313.4575 -222388.5652 161.2002 -266702.0227 -222054.6242 161.2002 -2012.4426 -2264.0779 921491.4634 -2012.4426 -2264.0779
ENERGY: 464 20535.2460 19559.9272 5739.2518 181.0096 -336389.3843 23291.1938 0.0000 0.0000 44654.0270 -222428.7289 162.4391 -267082.7559 -222058.5733 162.4391 -1050.9229 -2205.5271 921491.4634 -1050.9229 -2205.5271
ENERGY: 465 19322.7828 19631.8854 5737.2899 180.7155 -335701.1537 23259.7388 0.0000 0.0000 45094.5690 -222474.1724 164.0416 -267568.7414 -222052.9392 164.0416 -512.3349 -2174.4010 921491.4634 -512.3349 -2174.4010
ENERGY: 466 19088.4511 19708.3581 5733.2107 180.2808 -335443.7729 23245.0600 0.0000 0.0000 45020.7910 -222467.6211 163.7733 -267488.4121 -222052.9790 163.7733 -630.3317 -2182.6713 921491.4634 -630.3317 -2182.6713
ENERGY: 467 19841.8070 19783.1743 5727.6704 179.7757 -335721.0954 23249.4526 0.0000 0.0000 44523.6668 -222415.5487 161.9649 -266939.2155 -222054.3499 161.9649 -1393.6032 -2232.5926 921491.4634 -1393.6032 -2232.5926
ENERGY: 468 20761.8482 19845.4943 5721.5090 179.2779 -336451.5665 23265.8121 0.0000 0.0000 44291.6587 -222385.9663 161.1209 -266677.6250 -222056.3591 161.1209 -2508.6716 -2314.1342 921491.4634 -2508.6716 -2314.1342
ENERGY: 469 21236.3016 19910.2022 5715.6824 178.8504 -337458.3199 23284.3957 0.0000 0.0000 44720.3203 -222412.5673 162.6802 -267132.8876 -222046.0750 162.6802 -3596.7408 -2405.7974 921491.4634 -3596.7408 -2405.7974
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1731 19972.8935 5710.9491 178.5947 -338383.2504 23297.0668 0.0000 0.0000 45346.4574 -222466.1157 164.9579 -267812.5731 -222047.6089 164.9579 -4259.6997 -2477.6833 921491.4634 -4259.6997 -2477.6833
ENERGY: 471 21732.8677 20054.6836 5707.9626 178.5890 -338913.2447 23297.5080 0.0000 0.0000 45471.3366 -222470.2971 165.4122 -267941.6337 -222047.5360 165.4122 -4290.5685 -2504.3178 921491.4634 -4290.5685 -2504.3178
ENERGY: 472 22081.2360 20161.5552 5707.0091 178.9047 -338870.6761 23279.4487 0.0000 0.0000 45028.5296 -222433.9929 163.8014 -267462.5225 -222059.5058 163.8014 -3659.7361 -2479.9186 921491.4634 -3659.7361 -2479.9186
ENERGY: 473 21866.1361 20289.3426 5707.9843 179.6165 -338307.7185 23240.7359 0.0000 0.0000 44634.5172 -222389.3859 162.3681 -267023.9031 -222043.8540 162.3681 -2556.3617 -2408.1659 921491.4634 -2556.3617 -2408.1659
ENERGY: 474 20842.9704 20372.0985 5710.2161 180.7466 -337438.4547 23189.2345 0.0000 0.0000 44733.2304 -222409.9582 162.7272 -267143.1885 -222041.2620 162.7272 -1295.5527 -2316.2730 921491.4634 -1295.5527 -2316.2730
ENERGY: 475 19674.2081 20371.7672 5712.9876 182.2512 -336604.2307 23142.3815 0.0000 0.0000 45070.2135 -222450.4217 163.9530 -267520.6352 -222039.4530 163.9530 -344.6452 -2232.2127 921491.4634 -344.6452 -2232.2127
ENERGY: 476 19235.7862 20282.0272 5715.7683 184.0125 -336100.0898 23115.8464 0.0000 0.0000 45106.0630 -222460.5863 164.0835 -267566.6492 -222053.6139 164.0835 -92.4053 -2183.0654 921491.4634 -92.4053 -2183.0654
ENERGY: 477 19704.7249 20145.9810 5718.4976 185.9230 -336101.8783 23114.2936 0.0000 0.0000 44812.3205 -222420.1376 163.0149 -267232.4581 -222044.8413 163.0149 -667.4948 -2171.8230 921491.4634 -667.4948 -2171.8230
ENERGY: 478 20493.4776 19974.7635 5721.0254 187.7262 -336537.4028 23131.2457 0.0000 0.0000 44627.0328 -222402.1316 162.3409 -267029.1644 -222047.4108 162.3409 -1807.1606 -2198.7958 921491.4634 -1807.1606 -2198.7958
ENERGY: 479 21125.3058 19793.3953 5723.3295 189.2099 -337215.5829 23156.6769 0.0000 0.0000 44802.1571 -222425.5084 162.9779 -267227.6655 -222050.5461 162.9779 -3089.8517 -2246.7919 921491.4634 -3089.8517 -2246.7919
TIMING: 480 CPU: 225.562, 0.458988/step Wall: 225.562, 0.458988/step, 0.00254993 hours remaining, 3224.312500 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 21624.0327 19623.1963 5725.3111 190.1901 -337854.6773 23181.5115 0.0000 0.0000 45051.6806 -222458.7550 163.8856 -267510.4357 -222064.6210 163.8856 -4077.7326 -2291.4892 921491.4634 -4077.7326 -2291.4892
ENERGY: 481 22092.4853 19510.0432 5727.0952 190.6351 -338199.2468 23196.7956 0.0000 0.0000 45041.3359 -222440.8564 163.8480 -267482.1923 -222052.5266 163.8480 -4466.2393 -2305.6733 921491.4634 -4466.2393 -2305.6733
ENERGY: 482 22186.3466 19466.6794 5728.4964 190.3598 -338044.5405 23192.7472 0.0000 0.0000 44865.8511 -222414.0601 163.2096 -267279.9112 -222051.4113 163.2096 -4059.3098 -2278.0616 921491.4634 -4059.3098 -2278.0616
ENERGY: 483 21553.1412 19511.5746 5729.5660 189.3227 -337426.2174 23165.8738 0.0000 0.0000 44861.8961 -222414.8430 163.1952 -267276.7392 -222048.7673 163.1952 -2964.1723 -2216.4117 921491.4634 -2964.1723 -2216.4117
ENERGY: 484 20460.8925 19631.1940 5730.2465 187.5455 -336590.8876 23126.1349 0.0000 0.0000 45003.6024 -222451.2718 163.7107 -267454.8743 -222059.8744 163.7107 -1565.2427 -2143.1852 921491.4634 -1565.2427 -2143.1852
ENERGY: 485 19688.7720 19800.2992 5730.5256 185.2458 -335902.5861 23092.8468 0.0000 0.0000 44955.5719 -222449.3247 163.5360 -267404.8966 -222045.9607 163.5360 -422.1572 -2086.8738 921491.4634 -422.1572 -2086.8738
ENERGY: 486 19602.5427 19954.8177 5729.7198 182.4662 -335612.3565 23080.3805 0.0000 0.0000 44645.9113 -222416.5183 162.4096 -267062.4296 -222044.6761 162.4096 87.3177 -2070.0984 921491.4634 87.3177 -2070.0984
ENERGY: 487 19881.0926 20072.0215 5727.4348 179.4360 -335846.4481 23091.0541 0.0000 0.0000 44503.3491 -222392.0600 161.8910 -266895.4092 -222045.2408 161.8910 -192.2350 -2106.8843 921491.4634 -192.2350 -2106.8843
ENERGY: 488 20125.2100 20156.1364 5723.5441 176.4338 -336552.5453 23118.8613 0.0000 0.0000 44827.0556 -222425.3041 163.0685 -267252.3597 -222057.1938 163.0685 -1145.7536 -2194.6682 921491.4634 -1145.7536 -2194.6682
ENERGY: 489 20526.8873 20236.4613 5718.5749 173.8639 -337540.4657 23156.7307 0.0000 0.0000 45266.1004 -222461.8472 164.6656 -267727.9476 -222045.6085 164.6656 -2511.2406 -2316.7069 921491.4634 -2511.2406 -2316.7069
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7491 20292.9026 5712.8912 171.8438 -338458.1363 23196.4874 0.0000 0.0000 45213.5629 -222459.6993 164.4745 -267673.2622 -222048.2207 164.4745 -3823.4040 -2437.4157 921491.4634 -3823.4040 -2437.4157
ENERGY: 491 22430.4640 20312.1366 5707.3795 170.5404 -338984.5794 23226.0933 0.0000 0.0000 44733.0089 -222404.9568 162.7264 -267137.9657 -222049.4638 162.7264 -4629.6936 -2524.6217 921491.4634 -4629.6936 -2524.6217
ENERGY: 492 22612.9547 20289.6815 5702.9944 170.0208 -338937.5817 23232.7201 0.0000 0.0000 44542.1951 -222387.0151 162.0323 -266929.2102 -222060.3861 162.0323 -4606.8526 -2557.4732 921491.4634 -4606.8526 -2557.4732
ENERGY: 493 21558.2188 20260.7378 5700.7779 170.3200 -338358.0633 23214.0532 0.0000 0.0000 45033.8229 -222420.1327 163.8207 -267453.9556 -222046.5901 163.8207 -3796.3822 -2540.0999 921491.4634 -3796.3822 -2540.0999
ENERGY: 494 20068.3366 20225.0264 5700.9806 171.2193 -337454.3833 23183.0790 0.0000 0.0000 45622.2474 -222483.4940 165.9612 -268105.7414 -222044.0868 165.9612 -2500.8995 -2482.1071 921491.4634 -2500.8995 -2482.1071
ENERGY: 495 19383.2462 20186.8302 5703.5926 172.5416 -336566.9883 23159.4620 0.0000 0.0000 45484.1231 -222477.1926 165.4587 -267961.3157 -222041.5564 165.4587 -1249.6840 -2407.3058 921491.4634 -1249.6840 -2407.3058
ENERGY: 496 19722.4832 20130.6472 5708.0350 174.0933 -335998.7151 23154.2630 0.0000 0.0000 44699.5270 -222409.6661 162.6046 -267109.1932 -222049.0672 162.6046 -478.9001 -2343.4753 921491.4634 -478.9001 -2343.4753
ENERGY: 497 20212.6667 20059.9175 5713.4613 175.7242 -335952.5035 23166.3540 0.0000 0.0000 44261.0287 -222363.3512 161.0095 -266624.3799 -222042.7501 161.0095 -421.0235 -2316.7930 921491.4634 -421.0235 -2316.7930
ENERGY: 498 20182.0165 19957.1215 5718.5596 177.2604 -336366.4925 23189.3580 0.0000 0.0000 44728.2531 -222413.9235 162.7091 -267142.1765 -222044.5221 162.7091 -993.4681 -2331.6475 921491.4634 -993.4681 -2331.6475
ENERGY: 499 20158.0678 19847.7308 5722.4089 178.6361 -337058.4814 23219.2398 0.0000 0.0000 45439.2639 -222493.1340 165.2956 -267932.3979 -222047.2064 165.2956 -2020.8688 -2376.3392 921491.4634 -2020.8688 -2376.3392
Info: Benchmark time: 4 CPUs 0.45855 s/step 5.30729 days/ns 3224.31 MB memory
TIMING: 500 CPU: 234.669, 0.455313/step Wall: 234.669, 0.455313/step, 0 hours remaining, 3224.312500 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 19756.6584 5724.4523 179.8271 -337741.4179 23251.1003 0.0000 0.0000 45359.0772 -222495.4090 165.0039 -267854.4861 -222061.0908 165.0039 -3197.5167 -2425.4142 921491.4634 -3197.5167 -2425.4142
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, 3230.117 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3230.117 MB of memory in use
====================================================
WallClock: 242.593430 CPUTime: 242.593430 Memory: 3230.117188 MB
[Partition 0][Node 0] End of program
Application 102488955 resources: utime ~951s, stime ~20s, Rss ~127680, inblocks ~67176, outblocks ~72240
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins4053917390828482277.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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