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 ============== 54.6044
LDB: Largest compute 200 load 0.428646 is 1.2% of average load 36.896753
LDB: Average compute 0.051695 is 0.1% of average load 36.896753
LDB: Partitioning computes with target load 3.689675
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055462
LDB: ============== END OF LOAD BALANCING =============== 54.6066
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.6074
Info: Initial time: 4 CPUs 0.473025 s/step 5.47482 days/ns 3221.62 MB memory
TIMING: 100 CPU: 48.2733, 0.472045/step Wall: 48.2733, 0.472045/step, 0.0524495 hours remaining, 3221.625000 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 ============== 64.0294
LDB: ============== END OF LOAD BALANCING =============== 64.0295
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.03
TIMING: 120 CPU: 57.6932, 0.470995/step Wall: 57.6932, 0.470995/step, 0.0497162 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: 130 21553.6088 18898.7763 5736.4508 185.0194 -334776.0137 21118.0422 0.0000 0.0000 44811.1497 -222472.9665 163.0106 -267284.1162 -222216.5362 163.0106 -5536.0556 -2842.3154 921491.4634 -5536.0556 -2842.3154
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ENERGY: 138 21874.8526 19195.4801 5730.8549 192.8766 -333203.4341 21083.5324 0.0000 0.0000 42784.9640 -222340.8735 155.6399 -265125.8375 -222213.1811 155.6399 -2704.7057 -2927.3525 921491.4634 -2704.7057 -2927.3525
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TIMING: 140 CPU: 67.1079, 0.470737/step Wall: 67.1079, 0.470737/step, 0.0470737 hours remaining, 3222.019531 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 21015.8994 19956.3836 5767.3089 192.0924 -334899.3755 20845.5771 0.0000 0.0000 44606.5897 -222515.5243 162.2665 -267122.1140 -222153.2664 162.2665 -4472.9374 -2881.9210 921491.4634 -4472.9374 -2881.9210
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TIMING: 160 CPU: 76.5131, 0.470262/step Wall: 76.5131, 0.470262/step, 0.0444136 hours remaining, 3222.152344 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: 160 21093.2844 18859.3046 5717.0749 174.4916 -333735.9153 20833.5472 0.0000 0.0000 44515.8597 -222542.3530 161.9365 -267058.2127 -222175.6783 161.9365 -3202.8706 -2752.7604 921491.4634 -3202.8706 -2752.7604
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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 21917.7901 18733.9558 5737.6245 154.5770 -332975.2975 21015.2133 0.0000 0.0000 43101.1545 -222314.9822 156.7902 -265416.1367 -222126.1319 156.7902 -2936.2257 -2665.7682 921491.4634 -2936.2257 -2665.7682
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TIMING: 180 CPU: 85.9039, 0.469538/step Wall: 85.9039, 0.469538/step, 0.0417367 hours remaining, 3222.292969 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 19471.4305 5678.7398 184.6336 -333156.1129 21076.9265 0.0000 0.0000 42449.0057 -222222.0800 154.4178 -264671.0856 -222130.9078 154.4178 -3641.8537 -2802.0866 921491.4634 -3641.8537 -2802.0866
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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 21224.0061 18800.3005 5711.3574 186.3640 -333385.4997 21161.1534 0.0000 0.0000 43911.2864 -222391.0318 159.7372 -266302.3182 -222090.4389 159.7372 -4381.6809 -2646.7678 921491.4634 -4381.6809 -2646.7678
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LDB: ============= START OF LOAD BALANCING ============== 101.636
LDB: Largest compute 200 load 0.423901 is 1.2% of average load 36.720786
LDB: Average compute 0.051439 is 0.1% of average load 36.720786
LDB: TIME 101.638 LOAD: AVG 36.7208 MAX 37.6059 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.61 MB
LDB: TIME 101.64 LOAD: AVG 36.7208 MAX 37.575 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.61 MB
LDB: ============== END OF LOAD BALANCING =============== 101.642
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.645
Info: Initial time: 4 CPUs 0.470263 s/step 5.44286 days/ns 3223.64 MB memory
TIMING: 200 CPU: 95.3094, 0.470274/step Wall: 95.3094, 0.470274/step, 0.0391895 hours remaining, 3223.644531 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: 210 21385.1735 20194.2567 5705.3139 178.4614 -336615.7769 21385.1096 0.0000 0.0000 45251.4336 -222516.0281 164.6123 -267767.4618 -222108.2016 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
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TIMING: 220 CPU: 104.768, 0.472926/step Wall: 104.768, 0.472926/step, 0.0367831 hours remaining, 3223.644531 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: 114.217, 0.472457/step Wall: 114.217, 0.472457/step, 0.0341219 hours remaining, 3223.644531 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 20111.8210 5758.5348 169.0441 -335904.8195 21831.0568 0.0000 0.0000 43526.8719 -222396.7192 158.3388 -265923.5912 -222063.5733 158.3388 -4623.1688 -2633.0913 921491.4634 -4623.1688 -2633.0913
ENERGY: 243 19462.3619 19969.6446 5749.3614 168.8705 -335233.7066 21770.4748 0.0000 0.0000 45537.0690 -222575.9243 165.6513 -268112.9933 -222061.6671 165.6513 -3760.4503 -2614.6992 921491.4634 -3760.4503 -2614.6992
ENERGY: 244 18822.2463 19849.3934 5737.4544 169.6534 -334482.6008 21720.5677 0.0000 0.0000 45629.1663 -222554.1192 165.9864 -268183.2855 -222078.7769 165.9864 -2667.7296 -2573.2149 921491.4634 -2667.7296 -2573.2149
ENERGY: 245 20148.2367 19811.7598 5725.7785 171.4559 -334087.5945 21701.2471 0.0000 0.0000 44168.5249 -222360.5915 160.6730 -266529.1164 -222068.6364 160.6730 -1771.6900 -2533.5454 921491.4634 -1771.6900 -2533.5454
ENERGY: 246 20878.5481 19853.7023 5716.8932 174.1558 -334213.1205 21705.0851 0.0000 0.0000 43600.4183 -222284.3176 158.6063 -265884.7359 -222067.4294 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5288 19979.6439 5712.7400 177.5412 -334802.1842 21719.8455 0.0000 0.0000 44912.1913 -222431.6935 163.3782 -267343.8848 -222068.1392 163.3782 -983.0001 -2552.5930 921491.4634 -983.0001 -2552.5930
ENERGY: 248 19035.4926 20164.4295 5713.8450 181.3144 -335623.1355 21746.4312 0.0000 0.0000 46185.9363 -222595.6865 168.0117 -268781.6228 -222090.3127 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 20899.4409 18950.9580 5693.4518 195.6570 -332975.5974 21757.6848 0.0000 0.0000 43181.1612 -222297.2437 157.0812 -265478.4049 -222071.2738 157.0812 -2042.2409 -2664.5198 921491.4634 -2042.2409 -2664.5198
ENERGY: 257 20029.5654 18878.1875 5681.1759 194.7976 -333481.0041 21780.2420 0.0000 0.0000 44488.5468 -222428.4890 161.8371 -266917.0358 -222060.1683 161.8371 -2035.5363 -2692.1442 921491.4634 -2035.5363 -2692.1442
ENERGY: 258 19453.5868 18882.0668 5673.2911 193.6684 -334373.1547 21817.5078 0.0000 0.0000 45796.2577 -222556.7761 166.5942 -268353.0338 -222062.0607 166.5942 -2331.2329 -2737.1919 921491.4634 -2331.2329 -2737.1919
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TIMING: 260 CPU: 123.659, 0.472098/step Wall: 123.659, 0.472098/step, 0.0314732 hours remaining, 3223.949219 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 19781.1227 20140.5622 5703.8103 187.9445 -335614.9711 21924.4740 0.0000 0.0000 45349.7772 -222527.2803 164.9700 -267877.0574 -222051.1546 164.9700 -2647.8113 -2773.3902 921491.4634 -2647.8113 -2773.3902
ENERGY: 264 19385.2258 20436.4304 5710.6950 187.5052 -334855.9509 21907.7772 0.0000 0.0000 44751.4785 -222476.8387 162.7936 -267228.3172 -222069.1981 162.7936 -2191.1925 -2723.5293 921491.4634 -2191.1925 -2723.5293
ENERGY: 265 19946.8414 20681.9924 5713.6241 187.4392 -334395.6631 21906.0164 0.0000 0.0000 43607.6376 -222352.1119 158.6326 -265959.7495 -222054.3370 158.6326 -2038.0572 -2683.6034 921491.4634 -2038.0572 -2683.6034
ENERGY: 266 20048.7899 20788.8699 5712.1327 187.6137 -334399.4577 21914.4805 0.0000 0.0000 43399.3799 -222348.1910 157.8750 -265747.5709 -222054.3633 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0907 20691.2677 5707.0583 187.8501 -334831.4856 21930.8375 0.0000 0.0000 44220.2170 -222446.1644 160.8610 -266666.3814 -222055.6583 160.8610 -2435.4236 -2662.6783 921491.4634 -2435.4236 -2662.6783
ENERGY: 268 19962.9162 20375.7515 5700.1930 187.9286 -335513.7451 21959.1258 0.0000 0.0000 44823.5378 -222504.2923 163.0557 -267327.8301 -222075.9873 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
ENERGY: 270 22620.1933 19450.9168 5690.3173 187.1618 -336650.6776 22028.8071 0.0000 0.0000 44308.0077 -222365.2736 161.1804 -266673.2813 -222067.0432 161.1804 -3583.3634 -2617.7583 921491.4634 -3583.3634 -2617.7583
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ENERGY: 272 21021.5583 18896.0662 5692.8269 184.9335 -335921.4615 22015.0580 0.0000 0.0000 45607.7077 -222503.3109 165.9083 -268111.0185 -222081.1571 165.9083 -2551.9682 -2501.8805 921491.4634 -2551.9682 -2501.8805
ENERGY: 273 20123.2135 18932.9082 5697.5118 183.8526 -334925.7013 21985.5296 0.0000 0.0000 45502.7162 -222499.9694 165.5264 -268002.6856 -222069.0458 165.5264 -1837.1974 -2434.6760 921491.4634 -1837.1974 -2434.6760
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ENERGY: 276 19401.8502 19594.7509 5701.2547 182.4904 -333292.1281 21971.0410 0.0000 0.0000 44028.5272 -222412.2138 160.1637 -266440.7409 -222072.9392 160.1637 -1580.1300 -2417.6040 921491.4634 -1580.1300 -2417.6040
ENERGY: 277 19149.2973 19724.7161 5695.5210 182.9396 -333864.3454 21997.2387 0.0000 0.0000 44632.8111 -222481.8215 162.3619 -267114.6326 -222061.0985 162.3619 -2311.7546 -2498.0545 921491.4634 -2311.7546 -2498.0545
ENERGY: 278 20199.4578 19713.7761 5686.9122 183.6585 -334821.1003 22041.3359 0.0000 0.0000 44532.2540 -222463.7059 161.9961 -266995.9599 -222063.4128 161.9961 -3254.8158 -2593.7696 921491.4634 -3254.8158 -2593.7696
ENERGY: 279 21984.3649 19593.9432 5677.5176 184.5187 -335888.5800 22096.4199 0.0000 0.0000 43975.0880 -222376.7277 159.9693 -266351.8157 -222065.2021 159.9693 -4044.3214 -2682.8389 921491.4634 -4044.3214 -2682.8389
TIMING: 280 CPU: 133.084, 0.471231/step Wall: 133.084, 0.471231/step, 0.0287975 hours remaining, 3223.949219 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 20203.3286 20789.9627 5707.3565 186.7145 -334827.1962 22167.0166 0.0000 0.0000 43418.2631 -222354.5542 157.9437 -265772.8173 -222053.5964 157.9437 -1010.8437 -2700.0820 921491.4634 -1010.8437 -2700.0820
ENERGY: 286 19396.6310 20966.5621 5721.5031 185.8230 -334658.1146 22176.6863 0.0000 0.0000 43785.6881 -222425.2210 159.2803 -266210.9091 -222054.0580 159.2803 -1306.7503 -2717.2847 921491.4634 -1306.7503 -2717.2847
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 148.857
LDB: Largest compute 200 load 0.526466 is 1.1% of average load 45.783599
LDB: Average compute 0.064147 is 0.1% of average load 45.783599
LDB: TIME 148.859 LOAD: AVG 45.7836 MAX 47.212 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.3 MB
LDB: TIME 148.859 LOAD: AVG 45.7836 MAX 47.212 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.3 MB
LDB: TIME 148.874 LOAD: AVG 45.7836 MAX 46.1583 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.3 MB
LDB: ============== END OF LOAD BALANCING =============== 148.875
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.877
Info: Initial time: 4 CPUs 0.471791 s/step 5.46055 days/ns 3224.3 MB memory
TIMING: 300 CPU: 142.508, 0.471242/step Wall: 142.508, 0.471242/step, 0.0261801 hours remaining, 3224.304688 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: 151.701, 0.459615/step Wall: 151.701, 0.459615/step, 0.0229807 hours remaining, 3224.304688 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 340 CPU: 160.888, 0.45937/step Wall: 160.888, 0.45937/step, 0.0204164 hours remaining, 3224.304688 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: 170.07, 0.459113/step Wall: 170.07, 0.459113/step, 0.0178544 hours remaining, 3224.304688 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 19612.6014 5699.8913 181.0103 -336175.1990 22790.5192 0.0000 0.0000 46034.3487 -222532.9308 167.4603 -268567.2795 -222068.5914 167.4603 -1420.0422 -2476.3756 921491.4634 -1420.0422 -2476.3756
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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 20251.1591 5706.5521 182.3248 -335763.5797 22794.3770 0.0000 0.0000 43848.2756 -222334.4302 159.5080 -266182.7058 -222041.4012 159.5080 -1819.5859 -2472.4986 921491.4634 -1819.5859 -2472.4986
ENERGY: 378 20473.8102 20495.6592 5711.4639 183.2952 -336584.2276 22821.5833 0.0000 0.0000 44474.7537 -222423.6620 161.7869 -266898.4157 -222044.3966 161.7869 -2972.9875 -2523.3500 921491.4634 -2972.9875 -2523.3500
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TIMING: 380 CPU: 179.245, 0.458744/step Wall: 179.245, 0.458744/step, 0.0152915 hours remaining, 3224.304688 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: 386 19981.2272 19220.9466 5707.6637 175.9385 -334865.1816 22880.7953 0.0000 0.0000 44519.8586 -222378.7517 161.9510 -266898.6103 -222051.0438 161.9510 122.6668 -2011.2430 921491.4634 122.6668 -2011.2430
ENERGY: 387 20367.2861 19202.4845 5710.9354 174.6759 -335109.8725 22905.2739 0.0000 0.0000 44377.1816 -222372.0350 161.4320 -266749.2166 -222053.0051 161.4320 -738.9588 -2019.1691 921491.4634 -738.9588 -2019.1691
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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: 398 19692.8119 20133.3591 5716.9814 176.0456 -336812.3379 23014.0581 0.0000 0.0000 45592.7323 -222486.3495 165.8538 -268079.0818 -222045.7221 165.8538 -1710.2240 -2443.6967 921491.4634 -1710.2240 -2443.6967
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LDB: ============= START OF LOAD BALANCING ============== 194.799
LDB: Largest compute 230 load 0.527018 is 1.2% of average load 45.803500
LDB: Average compute 0.064143 is 0.1% of average load 45.803500
LDB: TIME 194.8 LOAD: AVG 45.8035 MAX 45.9221 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.3 MB
LDB: TIME 194.801 LOAD: AVG 45.8035 MAX 45.9221 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.3 MB
LDB: TIME 194.801 LOAD: AVG 45.8035 MAX 45.9221 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.3 MB
LDB: ============== END OF LOAD BALANCING =============== 194.801
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.802
Info: Benchmark time: 4 CPUs 0.459156 s/step 5.3143 days/ns 3224.3 MB memory
TIMING: 400 CPU: 188.428, 0.459136/step Wall: 188.428, 0.459136/step, 0.0127538 hours remaining, 3224.304688 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 22444.0478 19835.9109 5715.8942 173.8391 -338107.6282 23109.6374 0.0000 0.0000 44436.8100 -222391.4889 161.6489 -266828.2989 -222049.2225 161.6489 -4939.3794 -2681.7025 921491.4634 -4939.3794 -2681.7025
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ENERGY: 408 19735.8473 19387.6645 5692.2152 187.5226 -335902.8216 23017.8170 0.0000 0.0000 45394.4119 -222487.3431 165.1324 -267881.7550 -222063.5310 165.1324 -920.8284 -2294.1556 921491.4634 -920.8284 -2294.1556
ENERGY: 409 20350.1190 19376.4608 5688.4775 191.1593 -336896.6843 23057.9919 0.0000 0.0000 45733.6057 -222498.8702 166.3663 -268232.4759 -222051.6703 166.3663 -2367.4923 -2346.9326 921491.4634 -2367.4923 -2346.9326
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 413 21130.1415 20138.5247 5699.9334 199.7191 -337872.5309 23125.1113 0.0000 0.0000 45113.2140 -222465.8869 164.1095 -267579.1009 -222055.3453 164.1095 -3850.6267 -2398.9549 921491.4634 -3850.6267 -2398.9549
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ENERGY: 415 19745.2664 20572.1258 5708.7452 198.1487 -336456.1965 23071.1989 0.0000 0.0000 44733.2271 -222427.4844 162.7272 -267160.7116 -222049.0345 162.7272 -1174.6451 -2266.5615 921491.4634 -1174.6451 -2266.5615
ENERGY: 416 19942.3169 20661.9896 5710.0857 195.6954 -336157.5856 23063.1712 0.0000 0.0000 44200.2848 -222384.0421 160.7885 -266584.3269 -222052.9644 160.7885 -282.7613 -2224.6897 921491.4634 -282.7613 -2224.6897
ENERGY: 417 20031.3751 20631.3209 5709.0494 192.4696 -336373.1072 23072.1096 0.0000 0.0000 44338.4617 -222398.3209 161.2911 -266736.7826 -222044.6993 161.2911 -112.4555 -2227.1700 921491.4634 -112.4555 -2227.1700
ENERGY: 418 20154.6650 20457.0909 5705.5847 188.6536 -336970.7866 23098.6724 0.0000 0.0000 44915.1421 -222450.9778 163.3889 -267366.1199 -222046.7093 163.3889 -671.8549 -2269.9922 921491.4634 -671.8549 -2269.9922
ENERGY: 419 20790.7632 20185.5524 5700.4810 184.6055 -337717.8756 23139.8021 0.0000 0.0000 45250.3101 -222466.3613 164.6082 -267716.6714 -222049.5950 164.6082 -1783.9425 -2336.6465 921491.4634 -1783.9425 -2336.6465
TIMING: 420 CPU: 197.574, 0.457288/step Wall: 197.574, 0.457288/step, 0.010162 hours remaining, 3224.304688 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 22275.7612 19449.5352 5688.9976 174.4058 -338225.0312 23208.5472 0.0000 0.0000 45004.7085 -222423.0757 163.7148 -267427.7842 -222052.8449 163.7148 -4363.1151 -2465.6374 921491.4634 -4363.1151 -2465.6374
ENERGY: 423 21418.8983 19324.4276 5689.6736 172.2145 -337416.8955 23180.6037 0.0000 0.0000 45183.9715 -222447.1063 164.3669 -267631.0777 -222051.5232 164.3669 -3955.8305 -2434.9306 921491.4634 -3955.8305 -2434.9306
ENERGY: 424 20531.3307 19270.7819 5692.6542 170.6563 -336406.2762 23140.4643 0.0000 0.0000 45151.0460 -222449.3428 164.2471 -267600.3888 -222060.4125 164.2471 -3030.1605 -2370.2033 921491.4634 -3030.1605 -2370.2033
ENERGY: 425 19942.3359 19314.5610 5697.3263 169.6876 -335607.5206 23103.7917 0.0000 0.0000 44956.0485 -222423.7695 163.5377 -267379.8179 -222050.7960 163.5377 -1980.9651 -2297.0090 921491.4634 -1980.9651 -2297.0090
ENERGY: 426 19603.3347 19432.3071 5702.4947 169.0990 -335270.6877 23080.2889 0.0000 0.0000 44862.7389 -222420.4243 163.1983 -267283.1632 -222049.1087 163.1983 -1125.8050 -2237.7214 921491.4634 -1125.8050 -2237.7214
ENERGY: 427 19598.5319 19595.2899 5707.1504 168.7509 -335498.4321 23074.5004 0.0000 0.0000 44915.2780 -222438.9307 163.3894 -267354.2087 -222048.7335 163.3894 -741.9010 -2207.6355 921491.4634 -741.9010 -2207.6355
ENERGY: 428 20140.4231 19760.4169 5710.4628 168.5259 -336199.9857 23087.7674 0.0000 0.0000 44884.2599 -222448.1296 163.2766 -267332.3895 -222058.0548 163.2766 -935.5736 -2206.9585 921491.4634 -935.5736 -2206.9585
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9873 20024.3735 5712.1700 168.1897 -338096.9205 23149.4490 0.0000 0.0000 44626.3105 -222402.4405 162.3383 -267028.7510 -222047.3914 162.3383 -2472.2459 -2268.0465 921491.4634 -2472.2459 -2268.0465
ENERGY: 431 22204.1021 20111.4150 5711.2600 168.0704 -338644.7642 23172.3802 0.0000 0.0000 44858.4634 -222419.0731 163.1828 -267277.5365 -222048.7168 163.1828 -3116.2806 -2293.5592 921491.4634 -3116.2806 -2293.5592
ENERGY: 432 21768.3702 20188.6722 5710.3547 168.1086 -338651.2096 23176.0844 0.0000 0.0000 45177.9912 -222461.6283 164.3451 -267639.6195 -222065.9056 164.3451 -3350.2740 -2296.1497 921491.4634 -3350.2740 -2296.1497
ENERGY: 433 21200.9070 20275.9663 5710.3763 168.4633 -338164.0632 23162.2909 0.0000 0.0000 45192.9285 -222453.1309 164.3995 -267646.0594 -222052.5980 164.3995 -3187.3730 -2272.1276 921491.4634 -3187.3730 -2272.1276
ENERGY: 434 20730.3410 20338.1499 5711.6061 169.3247 -337394.2700 23140.7734 0.0000 0.0000 44883.0998 -222420.9750 163.2724 -267304.0748 -222051.1460 163.2724 -2694.3105 -2227.7885 921491.4634 -2694.3105 -2227.7885
ENERGY: 435 20235.2200 20362.4015 5714.0003 170.8455 -336680.6552 23123.4097 0.0000 0.0000 44675.9840 -222398.7942 162.5190 -267074.7783 -222049.5887 162.5190 -2061.3580 -2179.8951 921491.4634 -2061.3580 -2179.8951
ENERGY: 436 19670.9243 20349.9982 5717.2345 173.0864 -336303.8815 23119.9079 0.0000 0.0000 44847.0984 -222425.6318 163.1414 -267272.7303 -222059.6960 163.1414 -1520.6598 -2145.1617 921491.4634 -1520.6598 -2145.1617
ENERGY: 437 19434.5518 20329.5093 5720.9893 175.9827 -336411.9791 23136.3870 0.0000 0.0000 45159.2688 -222455.2902 164.2770 -267614.5590 -222050.7504 164.2770 -1319.1170 -2134.4848 921491.4634 -1319.1170 -2134.4848
ENERGY: 438 19935.1535 20278.6096 5724.6884 179.3848 -336899.4585 23173.5522 0.0000 0.0000 45148.1325 -222459.9375 164.2365 -267608.0700 -222051.5670 164.2365 -1493.0944 -2145.0881 921491.4634 -1493.0944 -2145.0881
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TIMING: 440 CPU: 206.728, 0.457703/step Wall: 206.728, 0.457703/step, 0.00762839 hours remaining, 3224.304688 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5684 20036.2373 5729.7527 186.7201 -338123.1812 23276.2490 0.0000 0.0000 44417.5460 -222405.1077 161.5788 -266822.6537 -222059.4771 161.5788 -2408.4613 -2197.9670 921491.4634 -2408.4613 -2197.9670
ENERGY: 441 22355.5486 19860.0412 5730.3488 190.1145 -338361.1720 23313.2049 0.0000 0.0000 44502.6964 -222409.2177 161.8886 -266911.9140 -222050.0858 161.8886 -2716.1026 -2221.5312 921491.4634 -2716.1026 -2221.5312
ENERGY: 442 21853.6117 19664.5353 5729.4854 192.9411 -338090.1537 23327.1573 0.0000 0.0000 44880.6318 -222441.7911 163.2634 -267322.4229 -222049.7753 163.2634 -2710.5573 -2229.0694 921491.4634 -2710.5573 -2229.0694
ENERGY: 443 21064.3314 19487.0726 5727.6164 194.9329 -337369.3154 23320.0164 0.0000 0.0000 45118.1104 -222457.2352 164.1273 -267575.3456 -222048.5993 164.1273 -2448.1644 -2220.3529 921491.4634 -2448.1644 -2220.3529
ENERGY: 444 20449.3361 19357.2693 5725.4095 195.8734 -336464.1929 23301.5282 0.0000 0.0000 44987.7173 -222447.0590 163.6530 -267434.7763 -222057.9799 163.6530 -2090.2096 -2206.4398 921491.4634 -2090.2096 -2206.4398
ENERGY: 445 20125.5607 19307.2520 5723.6513 195.6942 -335759.3921 23283.8145 0.0000 0.0000 44708.7151 -222414.7044 162.6380 -267123.4194 -222046.5430 162.6380 -1846.9623 -2201.6924 921491.4634 -1846.9623 -2201.6924
ENERGY: 446 19947.6805 19324.9006 5722.5430 194.3235 -335494.5715 23276.0458 0.0000 0.0000 44620.2941 -222408.7841 162.3164 -267029.0781 -222046.1622 162.3164 -1800.7516 -2216.7292 921491.4634 -1800.7516 -2216.7292
ENERGY: 447 19914.2850 19416.0209 5722.2107 191.8641 -335769.4406 23282.7465 0.0000 0.0000 44816.5083 -222425.8052 163.0301 -267242.3134 -222046.8345 163.0301 -1993.3111 -2253.0601 921491.4634 -1993.3111 -2253.0601
ENERGY: 448 20187.5923 19583.6798 5722.5764 188.5554 -336503.1803 23303.8911 0.0000 0.0000 45065.6668 -222451.2184 163.9365 -267516.8852 -222059.3480 163.9365 -2372.1877 -2303.7896 921491.4634 -2372.1877 -2303.7896
ENERGY: 449 20877.4061 19832.6983 5723.5712 184.8596 -337500.9072 23334.5930 0.0000 0.0000 45101.1671 -222446.6118 164.0657 -267547.7789 -222047.7098 164.0657 -2827.1080 -2356.1404 921491.4634 -2827.1080 -2356.1404
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4854 20108.1297 5724.4776 181.0897 -338419.3247 23364.6250 0.0000 0.0000 44854.3088 -222432.2086 163.1676 -267286.5173 -222048.7860 163.1676 -3116.6755 -2394.3893 921491.4634 -3116.6755 -2394.3893
ENERGY: 451 22355.5901 20357.7252 5724.7144 177.6517 -338952.0903 23381.8014 0.0000 0.0000 44542.6976 -222411.9099 162.0341 -266954.6076 -222048.8245 162.0341 -3074.2530 -2405.7794 921491.4634 -3074.2530 -2405.7794
ENERGY: 452 22246.2012 20536.0132 5723.8953 174.8859 -338927.1532 23378.0950 0.0000 0.0000 44452.9186 -222415.1440 161.7075 -266868.0626 -222059.6371 161.7075 -2659.9602 -2384.7565 921491.4634 -2659.9602 -2384.7565
ENERGY: 453 21399.8723 20641.1309 5722.2878 173.1350 -338392.7927 23354.5913 0.0000 0.0000 44683.7024 -222418.0731 162.5470 -267101.7755 -222043.5372 162.5470 -2048.3334 -2342.4665 921491.4634 -2048.3334 -2342.4665
ENERGY: 454 20248.3377 20654.1372 5720.2217 172.3637 -337567.1409 23320.6907 0.0000 0.0000 45008.1457 -222443.2442 163.7273 -267451.3899 -222041.8392 163.7273 -1453.4574 -2293.1448 921491.4634 -1453.4574 -2293.1448
ENERGY: 455 19486.7904 20584.7119 5718.4844 172.5169 -336790.6450 23290.4028 0.0000 0.0000 45086.5782 -222451.1604 164.0126 -267537.7386 -222040.8571 164.0126 -1151.8820 -2255.8570 921491.4634 -1151.8820 -2255.8570
ENERGY: 456 19493.3721 20440.6799 5717.7556 173.4248 -336350.1073 23274.9636 0.0000 0.0000 44811.4721 -222438.4393 163.0118 -267249.9113 -222055.3483 163.0118 -1305.5001 -2245.5820 921491.4634 -1305.5001 -2245.5820
ENERGY: 457 20047.4930 20251.9433 5718.5580 174.9241 -336395.8166 23277.8279 0.0000 0.0000 44521.8703 -222403.2000 161.9583 -266925.0703 -222049.4130 161.9583 -1906.4164 -2263.5011 921491.4634 -1906.4164 -2263.5011
ENERGY: 458 20585.8436 20019.2722 5720.7060 176.6081 -336835.0963 23294.7176 0.0000 0.0000 44632.7890 -222405.1597 162.3618 -267037.9486 -222051.2820 162.3618 -2684.6988 -2301.0425 921491.4634 -2684.6988 -2301.0425
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TIMING: 460 CPU: 215.886, 0.457913/step Wall: 215.886, 0.457913/step, 0.00508792 hours remaining, 3224.304688 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 19597.9065 5728.0971 179.4910 -338014.3774 23341.8003 0.0000 0.0000 45423.8570 -222480.6115 165.2395 -267904.4685 -222064.6834 165.2395 -3669.8204 -2365.2412 921491.4634 -3669.8204 -2365.2412
ENERGY: 461 21862.8763 19507.1078 5732.5752 180.4333 -338251.6223 23355.3936 0.0000 0.0000 45154.6143 -222458.6218 164.2601 -267613.2361 -222058.0505 164.2601 -3556.1667 -2361.1800 921491.4634 -3556.1667 -2361.1800
ENERGY: 462 22264.2255 19487.8112 5736.4822 180.9531 -337988.7176 23351.1086 0.0000 0.0000 44559.9297 -222408.2073 162.0968 -266968.1370 -222056.7212 162.0968 -2954.8200 -2323.4251 921491.4634 -2954.8200 -2323.4251
ENERGY: 463 21821.1791 19513.9019 5738.9361 181.1160 -337284.1034 23326.9477 0.0000 0.0000 44313.4577 -222388.5650 161.2002 -266702.0228 -222054.6240 161.2002 -2012.4423 -2264.0779 921491.4634 -2012.4423 -2264.0779
ENERGY: 464 20535.2460 19559.9275 5739.2518 181.0096 -336389.3847 23291.1940 0.0000 0.0000 44654.0274 -222428.7284 162.4391 -267082.7558 -222058.5728 162.4391 -1050.9225 -2205.5269 921491.4634 -1050.9225 -2205.5269
ENERGY: 465 19322.7827 19631.8856 5737.2898 180.7155 -335701.1540 23259.7389 0.0000 0.0000 45094.5695 -222474.1719 164.0417 -267568.7414 -222052.9387 164.0417 -512.3345 -2174.4009 921491.4634 -512.3345 -2174.4009
ENERGY: 466 19088.4512 19708.3583 5733.2107 180.2808 -335443.7731 23245.0600 0.0000 0.0000 45020.7916 -222467.6206 163.7733 -267488.4122 -222052.9785 163.7733 -630.3314 -2182.6711 921491.4634 -630.3314 -2182.6711
ENERGY: 467 19841.8072 19783.1743 5727.6703 179.7757 -335721.0956 23249.4525 0.0000 0.0000 44523.6674 -222415.5482 161.9649 -266939.2156 -222054.3494 161.9649 -1393.6032 -2232.5925 921491.4634 -1393.6032 -2232.5925
ENERGY: 468 20761.8484 19845.4942 5721.5089 179.2779 -336451.5669 23265.8120 0.0000 0.0000 44291.6594 -222385.9661 161.1209 -266677.6255 -222056.3589 161.1209 -2508.6718 -2314.1342 921491.4634 -2508.6718 -2314.1342
ENERGY: 469 21236.3018 19910.2020 5715.6824 178.8504 -337458.3203 23284.3955 0.0000 0.0000 44720.3211 -222412.5671 162.6802 -267132.8882 -222046.0748 162.6802 -3596.7411 -2405.7975 921491.4634 -3596.7411 -2405.7975
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 19972.8933 5710.9491 178.5947 -338383.2506 23297.0666 0.0000 0.0000 45346.4582 -222466.1155 164.9580 -267812.5737 -222047.6087 164.9580 -4259.7001 -2477.6834 921491.4634 -4259.7001 -2477.6834
ENERGY: 471 21732.8679 20054.6833 5707.9626 178.5890 -338913.2448 23297.5078 0.0000 0.0000 45471.3373 -222470.2969 165.4122 -267941.6342 -222047.5358 165.4122 -4290.5687 -2504.3178 921491.4634 -4290.5687 -2504.3178
ENERGY: 472 22081.2361 20161.5549 5707.0091 178.9047 -338870.6760 23279.4484 0.0000 0.0000 45028.5303 -222433.9927 163.8014 -267462.5230 -222059.5056 163.8014 -3659.7362 -2479.9186 921491.4634 -3659.7362 -2479.9186
ENERGY: 473 21866.1361 20289.3422 5707.9842 179.6165 -338307.7183 23240.7356 0.0000 0.0000 44634.5180 -222389.3857 162.3681 -267023.9037 -222043.8537 162.3681 -2556.3616 -2408.1659 921491.4634 -2556.3616 -2408.1659
ENERGY: 474 20842.9702 20372.0982 5710.2160 180.7467 -337438.4543 23189.2340 0.0000 0.0000 44733.2313 -222409.9579 162.7272 -267143.1892 -222041.2617 162.7272 -1295.5524 -2316.2730 921491.4634 -1295.5524 -2316.2730
ENERGY: 475 19674.2079 20371.7669 5712.9876 182.2512 -336604.2304 23142.3810 0.0000 0.0000 45070.2145 -222450.4214 163.9531 -267520.6359 -222039.4528 163.9531 -344.6448 -2232.2127 921491.4634 -344.6448 -2232.2127
ENERGY: 476 19235.7862 20282.0269 5715.7683 184.0125 -336100.0896 23115.8459 0.0000 0.0000 45106.0639 -222460.5860 164.0835 -267566.6499 -222053.6137 164.0835 -92.4052 -2183.0656 921491.4634 -92.4052 -2183.0656
ENERGY: 477 19704.7251 20145.9809 5718.4976 185.9230 -336101.8784 23114.2931 0.0000 0.0000 44812.3213 -222420.1374 163.0149 -267232.4587 -222044.8410 163.0149 -667.4950 -2171.8232 921491.4634 -667.4950 -2171.8232
ENERGY: 478 20493.4778 19974.7635 5721.0254 187.7262 -336537.4032 23131.2452 0.0000 0.0000 44627.0337 -222402.1314 162.3409 -267029.1651 -222047.4106 162.3409 -1807.1610 -2198.7960 921491.4634 -1807.1610 -2198.7960
ENERGY: 479 21125.3061 19793.3954 5723.3295 189.2099 -337215.5835 23156.6764 0.0000 0.0000 44802.1581 -222425.5082 162.9779 -267227.6663 -222050.5459 162.9779 -3089.8522 -2246.7921 921491.4634 -3089.8522 -2246.7921
TIMING: 480 CPU: 225.042, 0.457798/step Wall: 225.042, 0.457798/step, 0.00254332 hours remaining, 3224.304688 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 19623.1964 5725.3111 190.1900 -337854.6780 23181.5111 0.0000 0.0000 45051.6816 -222458.7548 163.8856 -267510.4365 -222064.6208 163.8856 -4077.7331 -2291.4894 921491.4634 -4077.7331 -2291.4894
ENERGY: 481 22092.4856 19510.0434 5727.0952 190.6351 -338199.2475 23196.7952 0.0000 0.0000 45041.3369 -222440.8561 163.8480 -267482.1930 -222052.5264 163.8480 -4466.2397 -2305.6735 921491.4634 -4466.2397 -2305.6735
ENERGY: 482 22186.3468 19466.6795 5728.4963 190.3598 -338044.5412 23192.7467 0.0000 0.0000 44865.8522 -222414.0598 163.2096 -267279.9120 -222051.4111 163.2096 -4059.3100 -2278.0617 921491.4634 -4059.3100 -2278.0617
ENERGY: 483 21553.1412 19511.5747 5729.5660 189.3226 -337426.2178 23165.8733 0.0000 0.0000 44861.8972 -222414.8428 163.1953 -267276.7400 -222048.7670 163.1953 -2964.1722 -2216.4118 921491.4634 -2964.1722 -2216.4118
ENERGY: 484 20460.8923 19631.1941 5730.2465 187.5455 -336590.8881 23126.1345 0.0000 0.0000 45003.6034 -222451.2719 163.7107 -267454.8753 -222059.8744 163.7107 -1565.2426 -2143.1854 921491.4634 -1565.2426 -2143.1854
ENERGY: 485 19688.7719 19800.2993 5730.5256 185.2458 -335902.5863 23092.8464 0.0000 0.0000 44955.5726 -222449.3247 163.5360 -267404.8974 -222045.9607 163.5360 -422.1571 -2086.8740 921491.4634 -422.1571 -2086.8740
ENERGY: 486 19602.5426 19954.8178 5729.7197 182.4662 -335612.3565 23080.3801 0.0000 0.0000 44645.9118 -222416.5183 162.4096 -267062.4301 -222044.6762 162.4096 87.3177 -2070.0986 921491.4634 87.3177 -2070.0986
ENERGY: 487 19881.0925 20072.0215 5727.4347 179.4360 -335846.4480 23091.0538 0.0000 0.0000 44503.3494 -222392.0601 161.8910 -266895.4095 -222045.2409 161.8910 -192.2351 -2106.8845 921491.4634 -192.2351 -2106.8845
ENERGY: 488 20125.2099 20156.1363 5723.5441 176.4338 -336552.5448 23118.8610 0.0000 0.0000 44827.0558 -222425.3039 163.0685 -267252.3597 -222057.1937 163.0685 -1145.7538 -2194.6681 921491.4634 -1145.7538 -2194.6681
ENERGY: 489 20526.8873 20236.4611 5718.5748 173.8639 -337540.4651 23156.7304 0.0000 0.0000 45266.1004 -222461.8471 164.6656 -267727.9475 -222045.6084 164.6656 -2511.2409 -2316.7068 921491.4634 -2511.2409 -2316.7068
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7492 20292.9023 5712.8912 171.8438 -338458.1357 23196.4872 0.0000 0.0000 45213.5628 -222459.6991 164.4745 -267673.2620 -222048.2206 164.4745 -3823.4042 -2437.4156 921491.4634 -3823.4042 -2437.4156
ENERGY: 491 22430.4642 20312.1361 5707.3795 170.5404 -338984.5789 23226.0932 0.0000 0.0000 44733.0089 -222404.9566 162.7264 -267137.9655 -222049.4636 162.7264 -4629.6936 -2524.6216 921491.4634 -4629.6936 -2524.6216
ENERGY: 492 22612.9547 20289.6810 5702.9944 170.0208 -338937.5812 23232.7201 0.0000 0.0000 44542.1952 -222387.0151 162.0323 -266929.2102 -222060.3860 162.0323 -4606.8525 -2557.4731 921491.4634 -4606.8525 -2557.4731
ENERGY: 493 21558.2187 20260.7372 5700.7779 170.3201 -338358.0628 23214.0532 0.0000 0.0000 45033.8231 -222420.1326 163.8207 -267453.9558 -222046.5901 163.8207 -3796.3818 -2540.0997 921491.4634 -3796.3818 -2540.0997
ENERGY: 494 20068.3365 20225.0258 5700.9806 171.2193 -337454.3829 23183.0791 0.0000 0.0000 45622.2477 -222483.4940 165.9612 -268105.7416 -222044.0868 165.9612 -2500.8991 -2482.1070 921491.4634 -2500.8991 -2482.1070
ENERGY: 495 19383.2462 20186.8298 5703.5926 172.5416 -336566.9879 23159.4621 0.0000 0.0000 45484.1232 -222477.1925 165.4587 -267961.3157 -222041.5564 165.4587 -1249.6836 -2407.3057 921491.4634 -1249.6836 -2407.3057
ENERGY: 496 19722.4833 20130.6469 5708.0350 174.0933 -335998.7148 23154.2632 0.0000 0.0000 44699.5271 -222409.6659 162.6046 -267109.1930 -222049.0670 162.6046 -478.8998 -2343.4752 921491.4634 -478.8998 -2343.4752
ENERGY: 497 20212.6667 20059.9174 5713.4613 175.7242 -335952.5035 23166.3542 0.0000 0.0000 44261.0288 -222363.3510 161.0095 -266624.3798 -222042.7500 161.0095 -421.0234 -2316.7929 921491.4634 -421.0234 -2316.7929
ENERGY: 498 20182.0165 19957.1214 5718.5597 177.2604 -336366.4927 23189.3581 0.0000 0.0000 44728.2533 -222413.9233 162.7091 -267142.1766 -222044.5219 162.7091 -993.4683 -2331.6474 921491.4634 -993.4683 -2331.6474
ENERGY: 499 20158.0679 19847.7308 5722.4089 178.6361 -337058.4819 23219.2400 0.0000 0.0000 45439.2641 -222493.1339 165.2956 -267932.3980 -222047.2062 165.2956 -2020.8692 -2376.3392 921491.4634 -2020.8692 -2376.3392
Info: Benchmark time: 4 CPUs 0.456953 s/step 5.2888 days/ns 3224.3 MB memory
TIMING: 500 CPU: 234.123, 0.454069/step Wall: 234.123, 0.454069/step, 0 hours remaining, 3224.304688 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 20974.8939 19756.6584 5724.4523 179.8271 -337741.4185 23251.1005 0.0000 0.0000 45359.0774 -222495.4089 165.0039 -267854.4863 -222061.0907 165.0039 -3197.5170 -2425.4142 921491.4634 -3197.5170 -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, 3229.598 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.598 MB of memory in use
====================================================
WallClock: 241.384262 CPUTime: 241.384262 Memory: 3229.597656 MB
[Partition 0][Node 0] End of program
Application 88304533 resources: utime ~949s, stime ~18s, Rss ~126796, inblocks ~67012, outblocks ~72238
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins2551717318696055729.sh
+ scp BW_REMOTE_4:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_4:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_4:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/memory
Finished: SUCCESS
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