Skipping 710 KB..
Full Log
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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 ============== 54.1563
LDB: Largest compute 200 load 0.430184 is 1.2% of average load 36.764144
LDB: Average compute 0.051499 is 0.1% of average load 36.764144
LDB: Partitioning computes with target load 3.676414
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055428
LDB: ============== END OF LOAD BALANCING =============== 54.1583
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.1591
Info: Initial time: 4 CPUs 0.473111 s/step 5.47582 days/ns 3221.45 MB memory
TIMING: 100 CPU: 48.2833, 0.472144/step Wall: 48.2833, 0.472144/step, 0.0524605 hours remaining, 3221.445312 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 ============== 63.583
LDB: ============== END OF LOAD BALANCING =============== 63.583
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.5835
TIMING: 120 CPU: 57.7061, 0.471137/step Wall: 57.7061, 0.471137/step, 0.0497312 hours remaining, 3221.738281 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 18898.7761 5736.4508 185.0194 -334776.0135 21118.0422 0.0000 0.0000 44811.1497 -222472.9664 163.0106 -267284.1162 -222216.5362 163.0106 -5536.0555 -2842.3154 921491.4634 -5536.0555 -2842.3154
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ENERGY: 138 21874.8525 19195.4802 5730.8549 192.8766 -333203.4344 21083.5324 0.0000 0.0000 42784.9640 -222340.8738 155.6399 -265125.8378 -222213.1815 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.125, 0.470944/step Wall: 67.125, 0.470944/step, 0.0470944 hours remaining, 3221.906250 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 19956.3835 5767.3089 192.0924 -334899.3754 20845.5771 0.0000 0.0000 44606.5898 -222515.5243 162.2665 -267122.1142 -222153.2665 162.2665 -4472.9373 -2881.9210 921491.4634 -4472.9373 -2881.9210
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ENERGY: 158 21695.0847 19425.3238 5743.5667 171.3409 -332829.8099 20761.5805 0.0000 0.0000 42713.6821 -222319.2312 155.3806 -265032.9134 -222157.3217 155.3806 -715.5935 -2586.7969 921491.4634 -715.5935 -2586.7969
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TIMING: 160 CPU: 76.534, 0.470449/step Wall: 76.534, 0.470449/step, 0.0444313 hours remaining, 3222.062500 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: 177 21863.3196 18664.1735 5738.9484 156.2659 -332371.2411 20981.6518 0.0000 0.0000 42714.2626 -222252.6193 155.3827 -264966.8819 -222125.5134 155.3827 -2870.6845 -2681.8089 921491.4634 -2870.6845 -2681.8089
ENERGY: 178 21917.7900 18733.9559 5737.6245 154.5770 -332975.2974 21015.2133 0.0000 0.0000 43101.1546 -222314.9822 156.7902 -265416.1368 -222126.1319 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 85.9274, 0.46967/step Wall: 85.9274, 0.46967/step, 0.0417484 hours remaining, 3222.203125 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 101.203
LDB: Largest compute 200 load 0.425538 is 1.2% of average load 36.588204
LDB: Average compute 0.051242 is 0.1% of average load 36.588204
LDB: TIME 101.205 LOAD: AVG 36.5882 MAX 37.6198 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.55 MB
LDB: TIME 101.207 LOAD: AVG 36.5882 MAX 37.482 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.55 MB
LDB: ============== END OF LOAD BALANCING =============== 101.209
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.212
Info: Initial time: 4 CPUs 0.470372 s/step 5.44413 days/ns 3223.68 MB memory
TIMING: 200 CPU: 95.3302, 0.470142/step Wall: 95.3302, 0.470142/step, 0.0391785 hours remaining, 3223.679688 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: 104.737, 0.470326/step Wall: 104.737, 0.470326/step, 0.0365809 hours remaining, 3223.679688 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: 114.136, 0.46998/step Wall: 114.136, 0.46998/step, 0.033943 hours remaining, 3223.679688 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 242 22110.7717 20111.8208 5758.5348 169.0441 -335904.8197 21831.0568 0.0000 0.0000 43526.8720 -222396.7194 158.3388 -265923.5915 -222063.5735 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
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ENERGY: 244 18822.2465 19849.3935 5737.4544 169.6534 -334482.6010 21720.5676 0.0000 0.0000 45629.1663 -222554.1192 165.9864 -268183.2855 -222078.7769 165.9864 -2667.7298 -2573.2149 921491.4634 -2667.7298 -2573.2149
ENERGY: 245 20148.2369 19811.7600 5725.7785 171.4559 -334087.5946 21701.2470 0.0000 0.0000 44168.5248 -222360.5915 160.6730 -266529.1163 -222068.6364 160.6730 -1771.6901 -2533.5454 921491.4634 -1771.6901 -2533.5454
ENERGY: 246 20878.5482 19853.7026 5716.8932 174.1558 -334213.1205 21705.0850 0.0000 0.0000 43600.4182 -222284.3176 158.6063 -265884.7358 -222067.4294 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5287 19979.6441 5712.7400 177.5412 -334802.1842 21719.8454 0.0000 0.0000 44912.1912 -222431.6935 163.3782 -267343.8847 -222068.1392 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4925 20164.4297 5713.8450 181.3144 -335623.1354 21746.4311 0.0000 0.0000 46185.9362 -222595.6864 168.0117 -268781.6227 -222090.3126 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 20899.4410 18950.9577 5693.4518 195.6570 -332975.5971 21757.6848 0.0000 0.0000 43181.1613 -222297.2436 157.0812 -265478.4049 -222071.2737 157.0812 -2042.2408 -2664.5198 921491.4634 -2042.2408 -2664.5198
ENERGY: 257 20029.5653 18878.1872 5681.1759 194.7976 -333481.0038 21780.2419 0.0000 0.0000 44488.5470 -222428.4889 161.8371 -266917.0358 -222060.1682 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5867 18882.0666 5673.2911 193.6684 -334373.1544 21817.5077 0.0000 0.0000 45796.2579 -222556.7760 166.5942 -268353.0339 -222062.0606 166.5942 -2331.2327 -2737.1919 921491.4634 -2331.2327 -2737.1919
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TIMING: 260 CPU: 123.525, 0.46945/step Wall: 123.525, 0.46945/step, 0.0312966 hours remaining, 3223.984375 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 19385.2261 20436.4306 5710.6950 187.5052 -334855.9512 21907.7772 0.0000 0.0000 44751.4784 -222476.8386 162.7936 -267228.3170 -222069.1981 162.7936 -2191.1926 -2723.5293 921491.4634 -2191.1926 -2723.5293
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ENERGY: 266 20048.7899 20788.8701 5712.1327 187.6137 -334399.4577 21914.4805 0.0000 0.0000 43399.3797 -222348.1910 157.8750 -265747.5707 -222054.3632 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0905 20691.2679 5707.0583 187.8501 -334831.4855 21930.8375 0.0000 0.0000 44220.2169 -222446.1643 160.8610 -266666.3812 -222055.6582 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9161 20375.7516 5700.1930 187.9286 -335513.7450 21959.1258 0.0000 0.0000 44823.5377 -222504.2923 163.0557 -267327.8300 -222075.9873 163.0557 -2903.2124 -2658.6181 921491.4634 -2903.2124 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 272 21021.5585 18896.0660 5692.8269 184.9335 -335921.4614 22015.0580 0.0000 0.0000 45607.7077 -222503.3108 165.9083 -268111.0185 -222081.1570 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
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ENERGY: 276 19401.8502 19594.7507 5701.2547 182.4904 -333292.1281 21971.0410 0.0000 0.0000 44028.5272 -222412.2139 160.1637 -266440.7411 -222072.9393 160.1637 -1580.1300 -2417.6040 921491.4634 -1580.1300 -2417.6040
ENERGY: 277 19149.2972 19724.7160 5695.5210 182.9396 -333864.3453 21997.2387 0.0000 0.0000 44632.8112 -222481.8216 162.3619 -267114.6329 -222061.0986 162.3619 -2311.7544 -2498.0545 921491.4634 -2311.7544 -2498.0545
ENERGY: 278 20199.4577 19713.7760 5686.9122 183.6585 -334821.1003 22041.3359 0.0000 0.0000 44532.2540 -222463.7060 161.9961 -266995.9600 -222063.4129 161.9961 -3254.8156 -2593.7697 921491.4634 -3254.8156 -2593.7697
ENERGY: 279 21984.3650 19593.9432 5677.5176 184.5187 -335888.5801 22096.4199 0.0000 0.0000 43975.0880 -222376.7278 159.9693 -266351.8158 -222065.2022 159.9693 -4044.3213 -2682.8389 921491.4634 -4044.3213 -2682.8389
TIMING: 280 CPU: 132.899, 0.468683/step Wall: 132.899, 0.468683/step, 0.0286417 hours remaining, 3223.984375 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 19396.6310 20966.5622 5721.5032 185.8230 -334658.1148 22176.6863 0.0000 0.0000 43785.6882 -222425.2210 159.2803 -266210.9092 -222054.0580 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -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 ============== 148.168
LDB: Largest compute 200 load 0.521230 is 1.1% of average load 45.694579
LDB: Average compute 0.064019 is 0.1% of average load 45.694579
LDB: TIME 148.17 LOAD: AVG 45.6946 MAX 46.956 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.18 MB
LDB: TIME 148.171 LOAD: AVG 45.6946 MAX 46.956 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.18 MB
LDB: TIME 148.184 LOAD: AVG 45.6946 MAX 46.2009 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.18 MB
LDB: ============== END OF LOAD BALANCING =============== 148.185
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.186
Info: Initial time: 4 CPUs 0.469236 s/step 5.43098 days/ns 3224.18 MB memory
TIMING: 300 CPU: 142.272, 0.468655/step Wall: 142.272, 0.468655/step, 0.0260364 hours remaining, 3224.183594 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: 151.481, 0.460471/step Wall: 151.481, 0.460471/step, 0.0230236 hours remaining, 3224.183594 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: 160.684, 0.460102/step Wall: 160.684, 0.460102/step, 0.020449 hours remaining, 3224.183594 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: 169.879, 0.459752/step Wall: 169.879, 0.459752/step, 0.0178792 hours remaining, 3224.183594 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: 380 CPU: 179.067, 0.459441/step Wall: 179.067, 0.459441/step, 0.0153147 hours remaining, 3224.183594 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 19981.2276 19220.9464 5707.6637 175.9384 -334865.1819 22880.7958 0.0000 0.0000 44519.8586 -222378.7513 161.9510 -266898.6099 -222051.0435 161.9510 122.6670 -2011.2427 921491.4634 122.6670 -2011.2427
ENERGY: 387 20367.2862 19202.4845 5710.9354 174.6759 -335109.8727 22905.2744 0.0000 0.0000 44377.1816 -222372.0347 161.4320 -266749.2162 -222053.0048 161.4320 -738.9584 -2019.1688 921491.4634 -738.9584 -2019.1688
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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 ============== 194.171
LDB: Largest compute 230 load 0.521007 is 1.1% of average load 45.617912
LDB: Average compute 0.063882 is 0.1% of average load 45.617912
LDB: TIME 194.172 LOAD: AVG 45.6179 MAX 45.9846 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.18 MB
LDB: TIME 194.173 LOAD: AVG 45.6179 MAX 45.9846 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.18 MB
LDB: TIME 194.173 LOAD: AVG 45.6179 MAX 45.9846 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.18 MB
LDB: ============== END OF LOAD BALANCING =============== 194.174
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.174
Info: Benchmark time: 4 CPUs 0.459787 s/step 5.32161 days/ns 3224.18 MB memory
TIMING: 400 CPU: 188.255, 0.459361/step Wall: 188.255, 0.459361/step, 0.01276 hours remaining, 3224.183594 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: 409 20350.1188 19376.4607 5688.4775 191.1593 -336896.6850 23057.9928 0.0000 0.0000 45733.6057 -222498.8703 166.3663 -268232.4760 -222051.6704 166.3663 -2367.4917 -2346.9323 921491.4634 -2367.4917 -2346.9323
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: 415 19745.2668 20572.1259 5708.7452 198.1487 -336456.1979 23071.1998 0.0000 0.0000 44733.2271 -222427.4846 162.7272 -267160.7116 -222049.0347 162.7272 -1174.6451 -2266.5613 921491.4634 -1174.6451 -2266.5613
ENERGY: 416 19942.3171 20661.9896 5710.0857 195.6954 -336157.5866 23063.1721 0.0000 0.0000 44200.2847 -222384.0421 160.7885 -266584.3268 -222052.9644 160.7885 -282.7612 -2224.6895 921491.4634 -282.7612 -2224.6895
ENERGY: 417 20031.3750 20631.3209 5709.0493 192.4696 -336373.1079 23072.1104 0.0000 0.0000 44338.4617 -222398.3209 161.2911 -266736.7826 -222044.6993 161.2911 -112.4551 -2227.1698 921491.4634 -112.4551 -2227.1698
ENERGY: 418 20154.6647 20457.0909 5705.5847 188.6536 -336970.7871 23098.6732 0.0000 0.0000 44915.1422 -222450.9778 163.3889 -267366.1199 -222046.7093 163.3889 -671.8544 -2269.9920 921491.4634 -671.8544 -2269.9920
ENERGY: 419 20790.7631 20185.5523 5700.4810 184.6055 -337717.8759 23139.8029 0.0000 0.0000 45250.3100 -222466.3613 164.6082 -267716.6712 -222049.5950 164.6082 -1783.9419 -2336.6463 921491.4634 -1783.9419 -2336.6463
TIMING: 420 CPU: 197.42, 0.458255/step Wall: 197.42, 0.458255/step, 0.0101834 hours remaining, 3224.183594 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 423 21418.8985 19324.4272 5689.6736 172.2145 -337416.8961 23180.6045 0.0000 0.0000 45183.9715 -222447.1064 164.3669 -267631.0778 -222051.5232 164.3669 -3955.8306 -2434.9304 921491.4634 -3955.8306 -2434.9304
ENERGY: 424 20531.3311 19270.7815 5692.6542 170.6563 -336406.2774 23140.4650 0.0000 0.0000 45151.0458 -222449.3434 164.2471 -267600.3893 -222060.4131 164.2471 -3030.1609 -2370.2033 921491.4634 -3030.1609 -2370.2033
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ENERGY: 426 19603.3348 19432.3070 5702.4946 169.0990 -335270.6887 23080.2896 0.0000 0.0000 44862.7386 -222420.4250 163.1983 -267283.1636 -222049.1093 163.1983 -1125.8051 -2237.7215 921491.4634 -1125.8051 -2237.7215
ENERGY: 427 19598.5316 19595.2898 5707.1504 168.7509 -335498.4330 23074.5011 0.0000 0.0000 44915.2777 -222438.9314 163.3894 -267354.2091 -222048.7342 163.3894 -741.9009 -2207.6355 921491.4634 -741.9009 -2207.6355
ENERGY: 428 20140.4228 19760.4170 5710.4628 168.5259 -336199.9859 23087.7681 0.0000 0.0000 44884.2597 -222448.1296 163.2766 -267332.3893 -222058.0549 163.2766 -935.5730 -2206.9583 921491.4634 -935.5730 -2206.9583
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9873 20024.3736 5712.1700 168.1897 -338096.9209 23149.4496 0.0000 0.0000 44626.3101 -222402.4405 162.3383 -267028.7506 -222047.3914 162.3383 -2472.2455 -2268.0464 921491.4634 -2472.2455 -2268.0464
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ENERGY: 432 21768.3704 20188.6723 5710.3546 168.1086 -338651.2107 23176.0848 0.0000 0.0000 45177.9912 -222461.6288 164.3451 -267639.6200 -222065.9061 164.3451 -3350.2743 -2296.1498 921491.4634 -3350.2743 -2296.1498
ENERGY: 433 21200.9072 20275.9663 5710.3763 168.4633 -338164.0643 23162.2913 0.0000 0.0000 45192.9285 -222453.1314 164.3995 -267646.0599 -222052.5985 164.3995 -3187.3734 -2272.1277 921491.4634 -3187.3734 -2272.1277
ENERGY: 434 20730.3414 20338.1499 5711.6061 169.3247 -337394.2709 23140.7737 0.0000 0.0000 44883.0997 -222420.9754 163.2724 -267304.0751 -222051.1465 163.2724 -2694.3109 -2227.7885 921491.4634 -2694.3109 -2227.7885
ENERGY: 435 20235.2203 20362.4015 5714.0003 170.8455 -336680.6558 23123.4099 0.0000 0.0000 44675.9837 -222398.7947 162.5190 -267074.7784 -222049.5891 162.5190 -2061.3583 -2179.8951 921491.4634 -2061.3583 -2179.8951
ENERGY: 436 19670.9243 20349.9981 5717.2345 173.0864 -336303.8811 23119.9079 0.0000 0.0000 44847.0982 -222425.6317 163.1414 -267272.7299 -222059.6959 163.1414 -1520.6597 -2145.1616 921491.4634 -1520.6597 -2145.1616
ENERGY: 437 19434.5515 20329.5091 5720.9893 175.9827 -336411.9782 23136.3869 0.0000 0.0000 45159.2688 -222455.2900 164.2770 -267614.5588 -222050.7502 164.2770 -1319.1167 -2134.4847 921491.4634 -1319.1167 -2134.4847
ENERGY: 438 19935.1531 20278.6093 5724.6883 179.3848 -336899.4573 23173.5520 0.0000 0.0000 45148.1325 -222459.9373 164.2365 -267608.0697 -222051.5667 164.2365 -1493.0940 -2145.0880 921491.4634 -1493.0940 -2145.0880
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TIMING: 440 CPU: 206.576, 0.457822/step Wall: 206.576, 0.457822/step, 0.00763037 hours remaining, 3224.183594 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 20036.2368 5729.7526 186.7201 -338123.1807 23276.2486 0.0000 0.0000 44417.5461 -222405.1081 161.5788 -266822.6542 -222059.4774 161.5788 -2408.4612 -2197.9671 921491.4634 -2408.4612 -2197.9671
ENERGY: 441 22355.5485 19860.0406 5730.3487 190.1145 -338361.1717 23313.2045 0.0000 0.0000 44502.6968 -222409.2180 161.8886 -266911.9148 -222050.0861 161.8886 -2716.1028 -2221.5314 921491.4634 -2716.1028 -2221.5314
ENERGY: 442 21853.6118 19664.5347 5729.4854 192.9411 -338090.1536 23327.1567 0.0000 0.0000 44880.6324 -222441.7915 163.2634 -267322.4239 -222049.7757 163.2634 -2710.5577 -2229.0696 921491.4634 -2710.5577 -2229.0696
ENERGY: 443 21064.3317 19487.0721 5727.6164 194.9329 -337369.3155 23320.0157 0.0000 0.0000 45118.1111 -222457.2356 164.1273 -267575.3467 -222048.5997 164.1273 -2448.1649 -2220.3531 921491.4634 -2448.1649 -2220.3531
ENERGY: 444 20449.3366 19357.2688 5725.4095 195.8735 -336464.1929 23301.5275 0.0000 0.0000 44987.7180 -222447.0589 163.6530 -267434.7770 -222057.9799 163.6530 -2090.2100 -2206.4399 921491.4634 -2090.2100 -2206.4399
ENERGY: 445 20125.5611 19307.2516 5723.6513 195.6942 -335759.3922 23283.8138 0.0000 0.0000 44708.7159 -222414.7043 162.6380 -267123.4202 -222046.5430 162.6380 -1846.9626 -2201.6925 921491.4634 -1846.9626 -2201.6925
ENERGY: 446 19947.6806 19324.9004 5722.5429 194.3235 -335494.5716 23276.0450 0.0000 0.0000 44620.2951 -222408.7840 162.3164 -267029.0791 -222046.1622 162.3164 -1800.7518 -2216.7293 921491.4634 -1800.7518 -2216.7293
ENERGY: 447 19914.2849 19416.0208 5722.2107 191.8642 -335769.4408 23282.7456 0.0000 0.0000 44816.5095 -222425.8051 163.0301 -267242.3146 -222046.8344 163.0301 -1993.3112 -2253.0603 921491.4634 -1993.3112 -2253.0603
ENERGY: 448 20187.5922 19583.6798 5722.5764 188.5554 -336503.1807 23303.8902 0.0000 0.0000 45065.6681 -222451.2185 163.9365 -267516.8866 -222059.3481 163.9365 -2372.1878 -2303.7898 921491.4634 -2372.1878 -2303.7898
ENERGY: 449 20877.4060 19832.6984 5723.5712 184.8596 -337500.9078 23334.5921 0.0000 0.0000 45101.1684 -222446.6119 164.0657 -267547.7804 -222047.7099 164.0657 -2827.1081 -2356.1407 921491.4634 -2827.1081 -2356.1407
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 20108.1298 5724.4776 181.0898 -338419.3255 23364.6242 0.0000 0.0000 44854.3102 -222432.2086 163.1677 -267286.5189 -222048.7861 163.1677 -3116.6757 -2394.3896 921491.4634 -3116.6757 -2394.3896
ENERGY: 451 22355.5902 20357.7254 5724.7144 177.6517 -338952.0915 23381.8006 0.0000 0.0000 44542.6992 -222411.9100 162.0341 -266954.6092 -222048.8246 162.0341 -3074.2533 -2405.7797 921491.4634 -3074.2533 -2405.7797
ENERGY: 452 22246.2016 20536.0134 5723.8953 174.8859 -338927.1544 23378.0943 0.0000 0.0000 44452.9199 -222415.1440 161.7075 -266868.0639 -222059.6371 161.7075 -2659.9607 -2384.7568 921491.4634 -2659.9607 -2384.7568
ENERGY: 453 21399.8728 20641.1312 5722.2878 173.1350 -338392.7940 23354.5907 0.0000 0.0000 44683.7035 -222418.0730 162.5470 -267101.7765 -222043.5372 162.5470 -2048.3340 -2342.4668 921491.4634 -2048.3340 -2342.4668
ENERGY: 454 20248.3383 20654.1375 5720.2217 172.3637 -337567.1420 23320.6902 0.0000 0.0000 45008.1465 -222443.2442 163.7273 -267451.3907 -222041.8391 163.7273 -1453.4580 -2293.1450 921491.4634 -1453.4580 -2293.1450
ENERGY: 455 19486.7908 20584.7121 5718.4844 172.5169 -336790.6457 23290.4024 0.0000 0.0000 45086.5787 -222451.1604 164.0126 -267537.7391 -222040.8570 164.0126 -1151.8825 -2255.8572 921491.4634 -1151.8825 -2255.8572
ENERGY: 456 19493.3722 20440.6800 5717.7556 173.4248 -336350.1080 23274.9632 0.0000 0.0000 44811.4724 -222438.4396 163.0118 -267249.9121 -222055.3487 163.0118 -1305.5004 -2245.5823 921491.4634 -1305.5004 -2245.5823
ENERGY: 457 20047.4930 20251.9433 5718.5580 174.9241 -336395.8167 23277.8276 0.0000 0.0000 44521.8704 -222403.2004 161.9583 -266925.0707 -222049.4134 161.9583 -1906.4164 -2263.5013 921491.4634 -1906.4164 -2263.5013
ENERGY: 458 20585.8435 20019.2720 5720.7061 176.6081 -336835.0960 23294.7174 0.0000 0.0000 44632.7888 -222405.1600 162.3618 -267037.9488 -222051.2823 162.3618 -2684.6986 -2301.0427 921491.4634 -2684.6986 -2301.0427
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TIMING: 460 CPU: 215.724, 0.457398/step Wall: 215.724, 0.457398/step, 0.0050822 hours remaining, 3224.183594 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 19597.9061 5728.0971 179.4910 -338014.3765 23341.8004 0.0000 0.0000 45423.8565 -222480.6115 165.2395 -267904.4681 -222064.6835 165.2395 -3669.8201 -2365.2411 921491.4634 -3669.8201 -2365.2411
ENERGY: 461 21862.8763 19507.1073 5732.5753 180.4333 -338251.6214 23355.3938 0.0000 0.0000 45154.6137 -222458.6218 164.2601 -267613.2355 -222058.0506 164.2601 -3556.1666 -2361.1798 921491.4634 -3556.1666 -2361.1798
ENERGY: 462 22264.2257 19487.8108 5736.4822 180.9531 -337988.7169 23351.1089 0.0000 0.0000 44559.9288 -222408.2073 162.0968 -266968.1361 -222056.7213 162.0968 -2954.8200 -2323.4250 921491.4634 -2954.8200 -2323.4250
ENERGY: 463 21821.1794 19513.9016 5738.9361 181.1160 -337284.1029 23326.9480 0.0000 0.0000 44313.4567 -222388.5651 161.2002 -266702.0218 -222054.6241 161.2002 -2012.4424 -2264.0777 921491.4634 -2012.4424 -2264.0777
ENERGY: 464 20535.2462 19559.9273 5739.2518 181.0096 -336389.3844 23291.1945 0.0000 0.0000 44654.0263 -222428.7286 162.4391 -267082.7550 -222058.5731 162.4391 -1050.9228 -2205.5269 921491.4634 -1050.9228 -2205.5269
ENERGY: 465 19322.7828 19631.8855 5737.2899 180.7155 -335701.1539 23259.7395 0.0000 0.0000 45094.5686 -222474.1721 164.0416 -267568.7408 -222052.9390 164.0416 -512.3347 -2174.4009 921491.4634 -512.3347 -2174.4009
ENERGY: 466 19088.4512 19708.3582 5733.2107 180.2808 -335443.7732 23245.0607 0.0000 0.0000 45020.7908 -222467.6208 163.7733 -267488.4116 -222052.9787 163.7733 -630.3314 -2182.6711 921491.4634 -630.3314 -2182.6711
ENERGY: 467 19841.8072 19783.1742 5727.6704 179.7757 -335721.0958 23249.4533 0.0000 0.0000 44523.6665 -222415.5484 161.9649 -266939.2150 -222054.3497 161.9649 -1393.6030 -2232.5924 921491.4634 -1393.6030 -2232.5924
ENERGY: 468 20761.8484 19845.4942 5721.5089 179.2779 -336451.5672 23265.8129 0.0000 0.0000 44291.6586 -222385.9663 161.1209 -266677.6249 -222056.3591 161.1209 -2508.6714 -2314.1340 921491.4634 -2508.6714 -2314.1340
ENERGY: 469 21236.3017 19910.2021 5715.6824 178.8504 -337458.3209 23284.3966 0.0000 0.0000 44720.3205 -222412.5672 162.6802 -267132.8877 -222046.0750 162.6802 -3596.7406 -2405.7972 921491.4634 -3596.7406 -2405.7972
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1731 19972.8935 5710.9491 178.5947 -338383.2516 23297.0677 0.0000 0.0000 45346.4577 -222466.1157 164.9580 -267812.5734 -222047.6089 164.9580 -4259.6995 -2477.6831 921491.4634 -4259.6995 -2477.6831
ENERGY: 471 21732.8679 20054.6837 5707.9626 178.5890 -338913.2461 23297.5090 0.0000 0.0000 45471.3368 -222470.2971 165.4122 -267941.6339 -222047.5359 165.4122 -4290.5684 -2504.3175 921491.4634 -4290.5684 -2504.3175
ENERGY: 472 22081.2364 20161.5554 5707.0091 178.9047 -338870.6775 23279.4496 0.0000 0.0000 45028.5297 -222433.9926 163.8014 -267462.5223 -222059.5055 163.8014 -3659.7360 -2479.9183 921491.4634 -3659.7360 -2479.9183
ENERGY: 473 21866.1365 20289.3429 5707.9843 179.6165 -338307.7199 23240.7369 0.0000 0.0000 44634.5173 -222389.3856 162.3681 -267023.9029 -222043.8536 162.3681 -2556.3615 -2408.1656 921491.4634 -2556.3615 -2408.1656
ENERGY: 474 20842.9706 20372.0988 5710.2160 180.7466 -337438.4560 23189.2353 0.0000 0.0000 44733.2307 -222409.9578 162.7272 -267143.1886 -222041.2616 162.7272 -1295.5524 -2316.2727 921491.4634 -1295.5524 -2316.2727
ENERGY: 475 19674.2081 20371.7674 5712.9876 182.2512 -336604.2320 23142.3823 0.0000 0.0000 45070.2141 -222450.4213 163.9531 -267520.6354 -222039.4527 163.9531 -344.6448 -2232.2125 921491.4634 -344.6448 -2232.2125
ENERGY: 476 19235.7863 20282.0273 5715.7683 184.0125 -336100.0911 23115.8471 0.0000 0.0000 45106.0636 -222460.5859 164.0835 -267566.6496 -222053.6136 164.0835 -92.4048 -2183.0652 921491.4634 -92.4048 -2183.0652
ENERGY: 477 19704.7252 20145.9811 5718.4976 185.9230 -336101.8796 23114.2944 0.0000 0.0000 44812.3211 -222420.1372 163.0149 -267232.4584 -222044.8409 163.0149 -667.4945 -2171.8228 921491.4634 -667.4945 -2171.8228
ENERGY: 478 20493.4778 19974.7635 5721.0254 187.7262 -336537.4042 23131.2464 0.0000 0.0000 44627.0336 -222402.1312 162.3409 -267029.1648 -222047.4105 162.3409 -1807.1603 -2198.7955 921491.4634 -1807.1603 -2198.7955
ENERGY: 479 21125.3059 19793.3954 5723.3295 189.2099 -337215.5843 23156.6775 0.0000 0.0000 44802.1581 -222425.5081 162.9779 -267227.6661 -222050.5458 162.9779 -3089.8515 -2246.7917 921491.4634 -3089.8515 -2246.7917
TIMING: 480 CPU: 224.861, 0.45686/step Wall: 224.861, 0.45686/step, 0.00253811 hours remaining, 3224.183594 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 19623.1963 5725.3111 190.1900 -337854.6789 23181.5120 0.0000 0.0000 45051.6816 -222458.7549 163.8856 -267510.4366 -222064.6209 163.8856 -4077.7326 -2291.4892 921491.4634 -4077.7326 -2291.4892
ENERGY: 481 22092.4855 19510.0433 5727.0952 190.6351 -338199.2483 23196.7961 0.0000 0.0000 45041.3368 -222440.8563 163.8480 -267482.1931 -222052.5265 163.8480 -4466.2394 -2305.6733 921491.4634 -4466.2394 -2305.6733
ENERGY: 482 22186.3470 19466.6795 5728.4963 190.3598 -338044.5420 23192.7475 0.0000 0.0000 44865.8518 -222414.0600 163.2096 -267279.9118 -222051.4112 163.2096 -4059.3099 -2278.0615 921491.4634 -4059.3099 -2278.0615
ENERGY: 483 21553.1416 19511.5746 5729.5660 189.3227 -337426.2187 23165.8741 0.0000 0.0000 44861.8968 -222414.8429 163.1953 -267276.7397 -222048.7672 163.1953 -2964.1723 -2216.4116 921491.4634 -2964.1723 -2216.4116
ENERGY: 484 20460.8928 19631.1939 5730.2465 187.5455 -336590.8884 23126.1351 0.0000 0.0000 45003.6032 -222451.2714 163.7107 -267454.8746 -222059.8739 163.7107 -1565.2425 -2143.1850 921491.4634 -1565.2425 -2143.1850
ENERGY: 485 19688.7722 19800.2990 5730.5256 185.2458 -335902.5865 23092.8470 0.0000 0.0000 44955.5726 -222449.3243 163.5360 -267404.8969 -222045.9603 163.5360 -422.1569 -2086.8735 921491.4634 -422.1569 -2086.8735
ENERGY: 486 19602.5429 19954.8173 5729.7197 182.4662 -335612.3566 23080.3807 0.0000 0.0000 44645.9119 -222416.5179 162.4096 -267062.4298 -222044.6758 162.4096 87.3181 -2070.0982 921491.4634 87.3181 -2070.0982
ENERGY: 487 19881.0928 20072.0210 5727.4347 179.4360 -335846.4480 23091.0543 0.0000 0.0000 44503.3496 -222392.0596 161.8910 -266895.4092 -222045.2404 161.8910 -192.2346 -2106.8841 921491.4634 -192.2346 -2106.8841
ENERGY: 488 20125.2101 20156.1359 5723.5441 176.4338 -336552.5453 23118.8615 0.0000 0.0000 44827.0559 -222425.3041 163.0685 -267252.3600 -222057.1938 163.0685 -1145.7535 -2194.6681 921491.4634 -1145.7535 -2194.6681
ENERGY: 489 20526.8874 20236.4608 5718.5748 173.8639 -337540.4656 23156.7308 0.0000 0.0000 45266.1006 -222461.8473 164.6656 -267727.9479 -222045.6085 164.6656 -2511.2407 -2316.7068 921491.4634 -2511.2407 -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 20292.9022 5712.8912 171.8438 -338458.1362 23196.4875 0.0000 0.0000 45213.5630 -222459.6993 164.4745 -267673.2622 -222048.2207 164.4745 -3823.4041 -2437.4156 921491.4634 -3823.4041 -2437.4156
ENERGY: 491 22430.4642 20312.1362 5707.3795 170.5404 -338984.5794 23226.0935 0.0000 0.0000 44733.0088 -222404.9568 162.7264 -267137.9655 -222049.4638 162.7264 -4629.6937 -2524.6217 921491.4634 -4629.6937 -2524.6217
ENERGY: 492 22612.9550 20289.6813 5702.9944 170.0208 -338937.5816 23232.7203 0.0000 0.0000 44542.1948 -222387.0150 162.0323 -266929.2098 -222060.3860 162.0323 -4606.8526 -2557.4731 921491.4634 -4606.8526 -2557.4731
ENERGY: 493 21558.2189 20260.7377 5700.7779 170.3201 -338358.0632 23214.0534 0.0000 0.0000 45033.8227 -222420.1326 163.8207 -267453.9553 -222046.5900 163.8207 -3796.3820 -2540.0997 921491.4634 -3796.3820 -2540.0997
ENERGY: 494 20068.3366 20225.0262 5700.9806 171.2193 -337454.3832 23183.0792 0.0000 0.0000 45622.2474 -222483.4939 165.9612 -268105.7413 -222044.0867 165.9612 -2500.8993 -2482.1070 921491.4634 -2500.8993 -2482.1070
ENERGY: 495 19383.2462 20186.8301 5703.5926 172.5416 -336566.9883 23159.4622 0.0000 0.0000 45484.1231 -222477.1925 165.4587 -267961.3156 -222041.5563 165.4587 -1249.6837 -2407.3057 921491.4634 -1249.6837 -2407.3057
ENERGY: 496 19722.4834 20130.6471 5708.0350 174.0933 -335998.7149 23154.2633 0.0000 0.0000 44699.5270 -222409.6658 162.6046 -267109.1928 -222049.0668 162.6046 -478.8996 -2343.4751 921491.4634 -478.8996 -2343.4751
ENERGY: 497 20212.6669 20059.9174 5713.4613 175.7242 -335952.5036 23166.3543 0.0000 0.0000 44261.0287 -222363.3508 161.0095 -266624.3795 -222042.7498 161.0095 -421.0231 -2316.7928 921491.4634 -421.0231 -2316.7928
ENERGY: 498 20182.0167 19957.1213 5718.5597 177.2604 -336366.4927 23189.3582 0.0000 0.0000 44728.2533 -222413.9231 162.7091 -267142.1764 -222044.5218 162.7091 -993.4679 -2331.6472 921491.4634 -993.4679 -2331.6472
ENERGY: 499 20158.0681 19847.7307 5722.4090 178.6361 -337058.4818 23219.2401 0.0000 0.0000 45439.2642 -222493.1337 165.2956 -267932.3979 -222047.2060 165.2956 -2020.8688 -2376.3390 921491.4634 -2020.8688 -2376.3390
Info: Benchmark time: 4 CPUs 0.456707 s/step 5.28596 days/ns 3224.18 MB memory
TIMING: 500 CPU: 233.925, 0.453206/step Wall: 233.925, 0.453206/step, 0 hours remaining, 3224.183594 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 19756.6583 5724.4523 179.8271 -337741.4190 23251.1006 0.0000 0.0000 45359.0774 -222495.4093 165.0039 -267854.4867 -222061.0911 165.0039 -3197.5171 -2425.4143 921491.4634 -3197.5171 -2425.4143
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.633 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.633 MB of memory in use
====================================================
WallClock: 240.728943 CPUTime: 240.728943 Memory: 3229.632812 MB
[Partition 0][Node 0] End of program
Application 102340481 resources: utime ~946s, stime ~19s, Rss ~127224, inblocks ~67175, outblocks ~72240
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins7283057584060118066.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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