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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 ============== 54.3116
LDB: Largest compute 200 load 0.432024 is 1.2% of average load 36.815216
LDB: Average compute 0.051576 is 0.1% of average load 36.815216
LDB: Partitioning computes with target load 3.681522
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055609
LDB: ============== END OF LOAD BALANCING =============== 54.3137
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.3145
Info: Initial time: 4 CPUs 0.473792 s/step 5.48371 days/ns 3221.6 MB memory
TIMING: 100 CPU: 48.3525, 0.472831/step Wall: 48.3524, 0.472831/step, 0.0525368 hours remaining, 3221.601562 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 ============== 63.7521
LDB: ============== END OF LOAD BALANCING =============== 63.7521
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.7526
TIMING: 120 CPU: 57.7885, 0.471801/step Wall: 57.7885, 0.471801/step, 0.0498012 hours remaining, 3221.808594 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
ENERGY: 130 21553.6088 18898.7761 5736.4508 185.0194 -334776.0137 21118.0423 0.0000 0.0000 44811.1496 -222472.9668 163.0106 -267284.1164 -222216.5366 163.0106 -5536.0556 -2842.3154 921491.4634 -5536.0556 -2842.3154
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ENERGY: 138 21874.8525 19195.4802 5730.8549 192.8766 -333203.4346 21083.5324 0.0000 0.0000 42784.9639 -222340.8741 155.6399 -265125.8379 -222213.1817 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.2218, 0.471667/step Wall: 67.2218, 0.471667/step, 0.0471667 hours remaining, 3222.003906 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 19956.3835 5767.3089 192.0924 -334899.3755 20845.5771 0.0000 0.0000 44606.5897 -222515.5244 162.2665 -267122.1141 -222153.2666 162.2665 -4472.9374 -2881.9210 921491.4634 -4472.9374 -2881.9210
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ENERGY: 158 21695.0846 19425.3239 5743.5667 171.3409 -332829.8099 20761.5805 0.0000 0.0000 42713.6821 -222319.2313 155.3806 -265032.9134 -222157.3218 155.3806 -715.5936 -2586.7969 921491.4634 -715.5936 -2586.7969
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TIMING: 160 CPU: 76.6425, 0.471037/step Wall: 76.6425, 0.471037/step, 0.0444868 hours remaining, 3222.136719 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 18859.3045 5717.0749 174.4915 -333735.9154 20833.5471 0.0000 0.0000 44515.8596 -222542.3532 161.9365 -267058.2129 -222175.6785 161.9365 -3202.8706 -2752.7604 921491.4634 -3202.8706 -2752.7604
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ENERGY: 168 21619.4182 19999.6890 5775.3367 206.4584 -333382.4927 20963.4338 0.0000 0.0000 42492.3351 -222325.8216 154.5754 -264818.1567 -222149.7707 154.5754 -1735.9905 -2933.5976 921491.4634 -1735.9905 -2933.5976
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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 21863.3195 18664.1735 5738.9484 156.2659 -332371.2411 20981.6518 0.0000 0.0000 42714.2626 -222252.6195 155.3827 -264966.8820 -222125.5136 155.3827 -2870.6845 -2681.8089 921491.4634 -2870.6845 -2681.8089
ENERGY: 178 21917.7900 18733.9558 5737.6245 154.5770 -332975.2974 21015.2132 0.0000 0.0000 43101.1545 -222314.9824 156.7902 -265416.1369 -222126.1321 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 86.0489, 0.470319/step Wall: 86.0489, 0.470319/step, 0.0418062 hours remaining, 3222.277344 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: 186 19266.0405 19234.9571 5686.4352 181.9571 -332240.0938 21043.7459 0.0000 0.0000 44391.5888 -222435.3691 161.4844 -266826.9579 -222129.2888 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2967 19471.4303 5678.7398 184.6336 -333156.1127 21076.9265 0.0000 0.0000 42449.0057 -222222.0801 154.4178 -264671.0858 -222130.9080 154.4178 -3641.8535 -2802.0866 921491.4634 -3641.8535 -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 18800.3004 5711.3574 186.3640 -333385.4996 21161.1534 0.0000 0.0000 43911.2863 -222391.0321 159.7372 -266302.3184 -222090.4392 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.423
LDB: Largest compute 200 load 0.427130 is 1.2% of average load 36.634622
LDB: Average compute 0.051319 is 0.1% of average load 36.634622
LDB: TIME 101.424 LOAD: AVG 36.6346 MAX 37.67 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.62 MB
LDB: TIME 101.427 LOAD: AVG 36.6346 MAX 37.5164 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.62 MB
LDB: ============== END OF LOAD BALANCING =============== 101.428
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.431
Info: Initial time: 4 CPUs 0.471018 s/step 5.4516 days/ns 3223.48 MB memory
TIMING: 200 CPU: 95.4638, 0.470745/step Wall: 95.4638, 0.470745/step, 0.0392287 hours remaining, 3223.480469 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 20194.2569 5705.3139 178.4614 -336615.7771 21385.1096 0.0000 0.0000 45251.4335 -222516.0282 164.6123 -267767.4617 -222108.2017 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
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TIMING: 220 CPU: 104.865, 0.470039/step Wall: 104.865, 0.470039/step, 0.0365586 hours remaining, 3223.480469 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: 114.258, 0.469689/step Wall: 114.258, 0.469689/step, 0.033922 hours remaining, 3223.480469 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 -335904.8199 21831.0568 0.0000 0.0000 43526.8720 -222396.7196 158.3388 -265923.5917 -222063.5737 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
ENERGY: 243 19462.3621 19969.6446 5749.3614 168.8705 -335233.7071 21770.4749 0.0000 0.0000 45537.0690 -222575.9246 165.6513 -268112.9937 -222061.6675 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
ENERGY: 244 18822.2464 19849.3935 5737.4544 169.6534 -334482.6011 21720.5677 0.0000 0.0000 45629.1663 -222554.1193 165.9864 -268183.2856 -222078.7770 165.9864 -2667.7298 -2573.2149 921491.4634 -2667.7298 -2573.2149
ENERGY: 245 20148.2368 19811.7600 5725.7785 171.4559 -334087.5947 21701.2471 0.0000 0.0000 44168.5249 -222360.5916 160.6730 -266529.1165 -222068.6364 160.6730 -1771.6901 -2533.5454 921491.4634 -1771.6901 -2533.5454
ENERGY: 246 20878.5481 19853.7026 5716.8932 174.1558 -334213.1207 21705.0851 0.0000 0.0000 43600.4182 -222284.3177 158.6063 -265884.7359 -222067.4294 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5287 19979.6441 5712.7400 177.5412 -334802.1843 21719.8455 0.0000 0.0000 44912.1912 -222431.6936 163.3782 -267343.8847 -222068.1393 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4926 20164.4297 5713.8450 181.3144 -335623.1355 21746.4311 0.0000 0.0000 46185.9361 -222595.6865 168.0117 -268781.6226 -222090.3127 168.0117 -1359.1247 -2608.3066 921491.4634 -1359.1247 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9041 20013.1597 5733.2541 193.8023 -336093.2675 21826.9296 0.0000 0.0000 43905.3720 -222425.8455 159.7157 -266331.2176 -222091.3304 159.7157 -3843.4681 -2758.0338 921491.4634 -3843.4681 -2758.0338
ENERGY: 253 19499.8638 19667.1121 5729.5496 195.2411 -334977.1805 21784.0537 0.0000 0.0000 45520.0192 -222581.3411 165.5893 -268101.3603 -222082.7204 165.5893 -3300.1272 -2735.8131 921491.4634 -3300.1272 -2735.8131
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ENERGY: 255 20324.2311 19109.4101 5707.6062 196.0620 -333099.9232 21746.1516 0.0000 0.0000 43667.4212 -222349.0409 158.8501 -266016.4622 -222078.3975 158.8501 -2282.5424 -2662.7814 921491.4634 -2282.5424 -2662.7814
ENERGY: 256 20899.4410 18950.9578 5693.4518 195.6570 -332975.5974 21757.6848 0.0000 0.0000 43181.1613 -222297.2438 157.0812 -265478.4051 -222071.2740 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5654 18878.1873 5681.1759 194.7976 -333481.0041 21780.2420 0.0000 0.0000 44488.5469 -222428.4891 161.8371 -266917.0359 -222060.1684 161.8371 -2035.5363 -2692.1442 921491.4634 -2035.5363 -2692.1442
ENERGY: 258 19453.5868 18882.0666 5673.2911 193.6684 -334373.1547 21817.5078 0.0000 0.0000 45796.2578 -222556.7762 166.5942 -268353.0340 -222062.0608 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
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TIMING: 260 CPU: 123.643, 0.469242/step Wall: 123.643, 0.469242/step, 0.0312828 hours remaining, 3223.878906 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: 262 21606.2723 19814.6778 5694.0656 188.7122 -336291.7860 21947.6074 0.0000 0.0000 44601.6347 -222438.8160 162.2485 -267040.4507 -222052.4322 162.2485 -3214.7560 -2810.4637 921491.4634 -3214.7560 -2810.4637
ENERGY: 263 19781.1228 20140.5623 5703.8103 187.9445 -335614.9714 21924.4741 0.0000 0.0000 45349.7772 -222527.2804 164.9700 -267877.0575 -222051.1547 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2260 20436.4306 5710.6950 187.5052 -334855.9513 21907.7773 0.0000 0.0000 44751.4784 -222476.8388 162.7936 -267228.3172 -222069.1982 162.7936 -2191.1926 -2723.5294 921491.4634 -2191.1926 -2723.5294
ENERGY: 265 19946.8415 20681.9927 5713.6241 187.4392 -334395.6634 21906.0164 0.0000 0.0000 43607.6375 -222352.1120 158.6326 -265959.7494 -222054.3371 158.6326 -2038.0573 -2683.6034 921491.4634 -2038.0573 -2683.6034
ENERGY: 266 20048.7899 20788.8701 5712.1327 187.6137 -334399.4579 21914.4806 0.0000 0.0000 43399.3797 -222348.1911 157.8750 -265747.5709 -222054.3633 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0906 20691.2679 5707.0583 187.8501 -334831.4857 21930.8375 0.0000 0.0000 44220.2169 -222446.1645 160.8610 -266666.3814 -222055.6584 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9161 20375.7516 5700.1930 187.9286 -335513.7451 21959.1258 0.0000 0.0000 44823.5377 -222504.2923 163.0557 -267327.8300 -222075.9873 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1933 19450.9167 5690.3173 187.1618 -336650.6774 22028.8071 0.0000 0.0000 44308.0076 -222365.2736 161.1804 -266673.2812 -222067.0433 161.1804 -3583.3633 -2617.7582 921491.4634 -3583.3633 -2617.7582
ENERGY: 271 22345.5823 19078.8065 5690.0209 186.1610 -336571.7891 22035.2502 0.0000 0.0000 44829.4473 -222406.5210 163.0772 -267235.9683 -222066.8385 163.0772 -3261.2173 -2569.2622 921491.4634 -3261.2173 -2569.2622
ENERGY: 272 21021.5584 18896.0661 5692.8269 184.9335 -335921.4612 22015.0580 0.0000 0.0000 45607.7076 -222503.3108 165.9083 -268111.0184 -222081.1570 165.9083 -2551.9682 -2501.8803 921491.4634 -2551.9682 -2501.8803
ENERGY: 273 20123.2136 18932.9080 5697.5118 183.8526 -334925.7010 21985.5296 0.0000 0.0000 45502.7160 -222499.9694 165.5264 -268002.6854 -222069.0457 165.5264 -1837.1974 -2434.6759 921491.4634 -1837.1974 -2434.6759
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ENERGY: 276 19401.8502 19594.7508 5701.2546 182.4904 -333292.1282 21971.0410 0.0000 0.0000 44028.5271 -222412.2141 160.1637 -266440.7412 -222072.9396 160.1637 -1580.1300 -2417.6041 921491.4634 -1580.1300 -2417.6041
ENERGY: 277 19149.2973 19724.7160 5695.5210 182.9396 -333864.3455 21997.2388 0.0000 0.0000 44632.8111 -222481.8218 162.3619 -267114.6329 -222061.0989 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4578 19713.7759 5686.9122 183.6585 -334821.1005 22041.3360 0.0000 0.0000 44532.2539 -222463.7062 161.9961 -266995.9602 -222063.4132 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -2593.7697
ENERGY: 279 21984.3649 19593.9431 5677.5176 184.5187 -335888.5802 22096.4200 0.0000 0.0000 43975.0880 -222376.7280 159.9693 -266351.8160 -222065.2024 159.9693 -4044.3213 -2682.8389 921491.4634 -4044.3213 -2682.8389
TIMING: 280 CPU: 133.02, 0.468859/step Wall: 133.02, 0.468859/step, 0.0286525 hours remaining, 3223.878906 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: 280 22859.3230 19458.4367 5670.0026 185.3899 -336752.6631 22145.1355 0.0000 0.0000 44066.7338 -222367.6417 160.3027 -266434.3755 -222073.4245 160.3027 -4286.3893 -2748.0546 921491.4634 -4286.3893 -2748.0546
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ENERGY: 282 20943.7898 19615.5380 5669.9796 186.8360 -336942.5032 22176.7655 0.0000 0.0000 45823.3368 -222526.2575 166.6927 -268349.5944 -222063.3314 166.6927 -2992.3270 -2779.3668 921491.4634 -2992.3270 -2779.3668
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ENERGY: 285 20203.3287 20789.9630 5707.3565 186.7145 -334827.1966 22167.0166 0.0000 0.0000 43418.2630 -222354.5544 157.9437 -265772.8174 -222053.5966 157.9437 -1010.8438 -2700.0820 921491.4634 -1010.8438 -2700.0820
ENERGY: 286 19396.6309 20966.5622 5721.5031 185.8230 -334658.1148 22176.6863 0.0000 0.0000 43785.6881 -222425.2212 159.2803 -266210.9093 -222054.0581 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 ============== 148.375
LDB: Largest compute 230 load 0.518046 is 1.1% of average load 45.768728
LDB: Average compute 0.064114 is 0.1% of average load 45.768728
LDB: TIME 148.377 LOAD: AVG 45.7687 MAX 46.9434 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.3 MB
LDB: TIME 148.378 LOAD: AVG 45.7687 MAX 46.9434 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.3 MB
LDB: TIME 148.393 LOAD: AVG 45.7687 MAX 46.2871 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.3 MB
LDB: ============== END OF LOAD BALANCING =============== 148.394
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.395
Info: Initial time: 4 CPUs 0.469123 s/step 5.42966 days/ns 3224.3 MB memory
TIMING: 300 CPU: 142.397, 0.468818/step Wall: 142.397, 0.468818/step, 0.0260455 hours remaining, 3224.300781 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: 151.624, 0.461376/step Wall: 151.624, 0.461376/step, 0.0230688 hours remaining, 3224.300781 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: 160.846, 0.461061/step Wall: 160.846, 0.461061/step, 0.0204916 hours remaining, 3224.300781 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: 170.061, 0.460792/step Wall: 170.061, 0.460792/step, 0.0179197 hours remaining, 3224.300781 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: 362 22808.6007 20031.2790 5688.3204 181.6678 -338079.7644 22835.7535 0.0000 0.0000 44200.9567 -222333.1864 160.7909 -266534.1431 -222051.2759 160.7909 -3087.0698 -2583.1907 921491.4634 -3087.0698 -2583.1907
ENERGY: 363 21303.6024 19794.1188 5692.1162 181.3427 -337235.0120 22818.0661 0.0000 0.0000 45033.6641 -222412.1017 163.8201 -267445.7659 -222049.5303 163.8201 -2242.6820 -2529.7065 921491.4634 -2242.6820 -2529.7065
ENERGY: 364 19323.8976 19612.6014 5699.8913 181.0103 -336175.2025 22790.5203 0.0000 0.0000 46034.3504 -222532.9312 167.4603 -268567.2816 -222068.5917 167.4603 -1420.0425 -2476.3756 921491.4634 -1420.0425 -2476.3756
ENERGY: 365 18830.5839 19548.3420 5710.7558 180.6857 -335316.0995 22775.7841 0.0000 0.0000 45760.0903 -222509.8576 166.4626 -268269.9479 -222057.4402 166.4626 -1100.2606 -2433.4822 921491.4634 -1100.2606 -2433.4822
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ENERGY: 368 20561.5939 19748.2121 5739.6691 179.8275 -335728.0903 22808.6665 0.0000 0.0000 44272.8419 -222417.2793 161.0524 -266690.1211 -222068.2912 161.0524 -2928.4883 -2487.3068 921491.4634 -2928.4883 -2487.3068
ENERGY: 369 20346.9679 19812.6207 5741.6370 179.5048 -336580.3338 22825.3373 0.0000 0.0000 45155.6321 -222518.6340 164.2638 -267674.2661 -222061.1001 164.2638 -3666.9888 -2542.4571 921491.4634 -3666.9888 -2542.4571
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 370 21302.3707 19815.7285 5738.6028 179.1429 -337296.0586 22846.3064 0.0000 0.0000 44920.4957 -222493.4116 163.4084 -267413.9073 -222062.2625 163.4084 -4081.4432 -2576.8187 921491.4634 -4081.4432 -2576.8187
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ENERGY: 376 19884.0274 19962.1766 5703.2010 181.1433 -335321.8667 22772.8721 0.0000 0.0000 44434.3288 -222384.1175 161.6399 -266818.4463 -222050.5529 161.6399 -874.6216 -2439.6898 921491.4634 -874.6216 -2439.6898
ENERGY: 377 20646.4610 20251.1595 5706.5521 182.3249 -335763.5836 22794.3795 0.0000 0.0000 43848.2765 -222334.4302 159.5080 -266182.7067 -222041.4012 159.5080 -1819.5851 -2472.4980 921491.4634 -1819.5851 -2472.4980
ENERGY: 378 20473.8100 20495.6597 5711.4639 183.2952 -336584.2312 22821.5859 0.0000 0.0000 44474.7546 -222423.6620 161.7869 -266898.4166 -222044.3966 161.7869 -2972.9866 -2523.3492 921491.4634 -2972.9866 -2523.3492
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TIMING: 380 CPU: 179.275, 0.460706/step Wall: 179.275, 0.460706/step, 0.0153569 hours remaining, 3224.300781 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 19625.4112 19596.0349 5710.5349 179.0647 -336052.0510 22884.2560 0.0000 0.0000 45539.1833 -222517.5659 165.6590 -268056.7492 -222062.0927 165.6590 -569.2371 -2166.9349 921491.4634 -569.2371 -2166.9349
ENERGY: 385 19327.8179 19356.8907 5707.7751 177.4354 -335210.6422 22871.6170 0.0000 0.0000 45299.7170 -222469.3890 164.7879 -267769.1060 -222051.0994 164.7879 215.3524 -2064.3627 921491.4634 215.3524 -2064.3627
ENERGY: 386 19981.2272 19220.9460 5707.6637 175.9384 -334865.1837 22880.7985 0.0000 0.0000 44519.8582 -222378.7516 161.9510 -266898.6098 -222051.0438 161.9510 122.6680 -2011.2418 921491.4634 122.6680 -2011.2418
ENERGY: 387 20367.2860 19202.4841 5710.9354 174.6759 -335109.8745 22905.2771 0.0000 0.0000 44377.1810 -222372.0350 161.4320 -266749.2160 -222053.0051 161.4320 -738.9574 -2019.1679 921491.4634 -738.9574 -2019.1679
ENERGY: 388 20282.3985 19280.0166 5717.2934 173.7038 -335824.1539 22938.2928 0.0000 0.0000 44972.7755 -222459.6732 163.5986 -267432.4487 -222067.4818 163.5986 -2063.8543 -2076.2811 921491.4634 -2063.8543 -2076.2811
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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 19692.8116 20133.3595 5716.9814 176.0456 -336812.3406 23014.0615 0.0000 0.0000 45592.7315 -222486.3495 165.8538 -268079.0810 -222045.7221 165.8538 -1710.2226 -2443.6955 921491.4634 -1710.2226 -2443.6955
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LDB: ============= START OF LOAD BALANCING ============== 194.48
LDB: Largest compute 230 load 0.528199 is 1.2% of average load 45.676461
LDB: Average compute 0.063973 is 0.1% of average load 45.676461
LDB: TIME 194.482 LOAD: AVG 45.6765 MAX 46.0849 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.3 MB
LDB: TIME 194.483 LOAD: AVG 45.6765 MAX 46.0849 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.3 MB
LDB: TIME 194.483 LOAD: AVG 45.6765 MAX 46.0849 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.3 MB
LDB: ============== END OF LOAD BALANCING =============== 194.483
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.484
Info: Benchmark time: 4 CPUs 0.460794 s/step 5.33326 days/ns 3224.3 MB memory
TIMING: 400 CPU: 188.48, 0.46023/step Wall: 188.48, 0.46023/step, 0.0127842 hours remaining, 3224.300781 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 22444.0481 19835.9105 5715.8942 173.8391 -338107.6302 23109.6404 0.0000 0.0000 44436.8091 -222391.4889 161.6489 -266828.2979 -222049.2225 161.6489 -4939.3786 -2681.7015 921491.4634 -4939.3786 -2681.7015
ENERGY: 403 20784.9694 19778.4822 5715.7218 174.2695 -337239.9797 23077.8426 0.0000 0.0000 45225.5958 -222483.0983 164.5183 -267708.6941 -222046.6853 164.5183 -3613.5970 -2605.7419 921491.4634 -3613.5970 -2605.7419
ENERGY: 404 19687.5951 19735.4021 5713.8114 175.5084 -336169.1150 23038.2922 0.0000 0.0000 45313.8392 -222504.6666 164.8393 -267818.5058 -222060.2368 164.8393 -1967.0739 -2494.0431 921491.4634 -1967.0739 -2494.0431
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ENERGY: 408 19735.8472 19387.6637 5692.2152 187.5226 -335902.8238 23017.8189 0.0000 0.0000 45394.4128 -222487.3434 165.1324 -267881.7562 -222063.5314 165.1324 -920.8277 -2294.1552 921491.4634 -920.8277 -2294.1552
ENERGY: 409 20350.1188 19376.4603 5688.4775 191.1593 -336896.6869 23057.9936 0.0000 0.0000 45733.6069 -222498.8706 166.3663 -268232.4775 -222051.6707 166.3663 -2367.4917 -2346.9322 921491.4634 -2367.4917 -2346.9322
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 410 21850.5212 19470.1800 5687.6650 194.4179 -337813.1871 23106.2040 0.0000 0.0000 45077.0728 -222427.1263 163.9780 -267504.1990 -222054.6430 163.9780 -3838.6211 -2402.0238 921491.4634 -3838.6211 -2402.0238
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ENERGY: 413 21130.1419 20138.5252 5699.9334 199.7191 -337872.5351 23125.1121 0.0000 0.0000 45113.2164 -222465.8869 164.1095 -267579.1033 -222055.3453 164.1095 -3850.6270 -2398.9549 921491.4634 -3850.6270 -2398.9549
ENERGY: 414 19987.3858 20381.5511 5705.1135 199.5118 -337122.7831 23094.4561 0.0000 0.0000 45271.6550 -222483.1097 164.6858 -267754.7648 -222052.1623 164.6858 -2501.3243 -2333.9465 921491.4634 -2501.3243 -2333.9465
ENERGY: 415 19745.2669 20572.1264 5708.7452 198.1487 -336456.2005 23071.1993 0.0000 0.0000 44733.2296 -222427.4844 162.7272 -267160.7140 -222049.0346 162.7272 -1174.6454 -2266.5617 921491.4634 -1174.6454 -2266.5617
ENERGY: 416 19942.3173 20661.9900 5710.0857 195.6954 -336157.5891 23063.1715 0.0000 0.0000 44200.2871 -222384.0421 160.7885 -266584.3292 -222052.9644 160.7885 -282.7615 -2224.6899 921491.4634 -282.7615 -2224.6899
ENERGY: 417 20031.3752 20631.3213 5709.0494 192.4696 -336373.1100 23072.1096 0.0000 0.0000 44338.4640 -222398.3209 161.2911 -266736.7849 -222044.6993 161.2911 -112.4555 -2227.1701 921491.4634 -112.4555 -2227.1701
ENERGY: 418 20154.6648 20457.0911 5705.5848 188.6537 -336970.7887 23098.6722 0.0000 0.0000 44915.1443 -222450.9778 163.3890 -267366.1221 -222046.7093 163.3890 -671.8548 -2269.9924 921491.4634 -671.8548 -2269.9924
ENERGY: 419 20790.7631 20185.5524 5700.4811 184.6055 -337717.8771 23139.8018 0.0000 0.0000 45250.3119 -222466.3613 164.6082 -267716.6732 -222049.5950 164.6082 -1783.9424 -2336.6467 921491.4634 -1783.9424 -2336.6467
TIMING: 420 CPU: 197.667, 0.459336/step Wall: 197.667, 0.459336/step, 0.0102075 hours remaining, 3224.300781 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 21418.8984 19324.4264 5689.6736 172.2145 -337416.8948 23180.6033 0.0000 0.0000 45183.9722 -222447.1064 164.3669 -267631.0785 -222051.5233 164.3669 -3955.8309 -2434.9307 921491.4634 -3955.8309 -2434.9307
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 432 21768.3706 20188.6730 5710.3547 168.1086 -338651.2100 23176.0838 0.0000 0.0000 45177.9906 -222461.6287 164.3451 -267639.6193 -222065.9060 164.3451 -3350.2746 -2296.1500 921491.4634 -3350.2746 -2296.1500
ENERGY: 433 21200.9071 20275.9670 5710.3763 168.4633 -338164.0635 23162.2902 0.0000 0.0000 45192.9282 -222453.1313 164.3995 -267646.0595 -222052.5984 164.3995 -3187.3737 -2272.1279 921491.4634 -3187.3737 -2272.1279
ENERGY: 434 20730.3410 20338.1506 5711.6061 169.3247 -337394.2699 23140.7727 0.0000 0.0000 44883.0995 -222420.9753 163.2724 -267304.0748 -222051.1464 163.2724 -2694.3110 -2227.7888 921491.4634 -2694.3110 -2227.7888
ENERGY: 435 20235.2199 20362.4022 5714.0003 170.8455 -336680.6548 23123.4089 0.0000 0.0000 44675.9835 -222398.7946 162.5189 -267074.7781 -222049.5890 162.5189 -2061.3584 -2179.8954 921491.4634 -2061.3584 -2179.8954
ENERGY: 436 19670.9241 20349.9988 5717.2345 173.0864 -336303.8803 23119.9070 0.0000 0.0000 44847.0977 -222425.6318 163.1414 -267272.7296 -222059.6960 163.1414 -1520.6599 -2145.1619 921491.4634 -1520.6599 -2145.1619
ENERGY: 437 19434.5514 20329.5098 5720.9894 175.9827 -336411.9776 23136.3860 0.0000 0.0000 45159.2681 -222455.2903 164.2770 -267614.5584 -222050.7505 164.2770 -1319.1170 -2134.4851 921491.4634 -1319.1170 -2134.4851
ENERGY: 438 19935.1530 20278.6100 5724.6884 179.3849 -336899.4568 23173.5512 0.0000 0.0000 45148.1319 -222459.9375 164.2365 -267608.0694 -222051.5670 164.2365 -1493.0943 -2145.0883 921491.4634 -1493.0943 -2145.0883
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TIMING: 440 CPU: 206.845, 0.458896/step Wall: 206.845, 0.458896/step, 0.00764827 hours remaining, 3224.300781 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 22071.5686 20036.2373 5729.7527 186.7202 -338123.1798 23276.2481 0.0000 0.0000 44417.5450 -222405.1080 161.5788 -266822.6529 -222059.4774 161.5788 -2408.4614 -2197.9672 921491.4634 -2408.4614 -2197.9672
ENERGY: 441 22355.5489 19860.0409 5730.3488 190.1146 -338361.1705 23313.2041 0.0000 0.0000 44502.6954 -222409.2179 161.8886 -266911.9133 -222050.0861 161.8886 -2716.1028 -2221.5313 921491.4634 -2716.1028 -2221.5313
ENERGY: 442 21853.6118 19664.5348 5729.4854 192.9412 -338090.1521 23327.1565 0.0000 0.0000 44880.6311 -222441.7914 163.2634 -267322.4225 -222049.7756 163.2634 -2710.5576 -2229.0695 921491.4634 -2710.5576 -2229.0695
ENERGY: 443 21064.3313 19487.0720 5727.6164 194.9329 -337369.3137 23320.0155 0.0000 0.0000 45118.1099 -222457.2355 164.1273 -267575.3454 -222048.5996 164.1273 -2448.1646 -2220.3529 921491.4634 -2448.1646 -2220.3529
ENERGY: 444 20449.3360 19357.2687 5725.4095 195.8735 -336464.1910 23301.5274 0.0000 0.0000 44987.7169 -222447.0590 163.6529 -267434.7759 -222057.9799 163.6529 -2090.2099 -2206.4399 921491.4634 -2090.2099 -2206.4399
ENERGY: 445 20125.5606 19307.2514 5723.6513 195.6942 -335759.3903 23283.8137 0.0000 0.0000 44708.7147 -222414.7043 162.6380 -267123.4190 -222046.5430 162.6380 -1846.9625 -2201.6926 921491.4634 -1846.9625 -2201.6926
ENERGY: 446 19947.6803 19324.9004 5722.5430 194.3235 -335494.5700 23276.0450 0.0000 0.0000 44620.2938 -222408.7841 162.3164 -267029.0778 -222046.1622 162.3164 -1800.7517 -2216.7294 921491.4634 -1800.7517 -2216.7294
ENERGY: 447 19914.2846 19416.0210 5722.2107 191.8642 -335769.4397 23282.7458 0.0000 0.0000 44816.5083 -222425.8052 163.0301 -267242.3134 -222046.8345 163.0301 -1993.3112 -2253.0604 921491.4634 -1993.3112 -2253.0604
ENERGY: 448 20187.5920 19583.6803 5722.5764 188.5554 -336503.1800 23303.8905 0.0000 0.0000 45065.6670 -222451.2183 163.9365 -267516.8854 -222059.3479 163.9365 -2372.1878 -2303.7897 921491.4634 -2372.1878 -2303.7897
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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 21754.4856 20108.1307 5724.4776 181.0898 -338419.3259 23364.6245 0.0000 0.0000 44854.3093 -222432.2084 163.1676 -267286.5178 -222048.7859 163.1676 -3116.6758 -2394.3896 921491.4634 -3116.6758 -2394.3896
ENERGY: 451 22355.5904 20357.7263 5724.7144 177.6517 -338952.0922 23381.8010 0.0000 0.0000 44542.6986 -222411.9098 162.0341 -266954.6084 -222048.8244 162.0341 -3074.2534 -2405.7798 921491.4634 -3074.2534 -2405.7798
ENERGY: 452 22246.2014 20536.0141 5723.8953 174.8859 -338927.1558 23378.0948 0.0000 0.0000 44452.9200 -222415.1443 161.7075 -266868.0643 -222059.6373 161.7075 -2659.9607 -2384.7569 921491.4634 -2659.9607 -2384.7569
ENERGY: 453 21399.8724 20641.1317 5722.2878 173.1350 -338392.7956 23354.5912 0.0000 0.0000 44683.7042 -222418.0733 162.5470 -267101.7774 -222043.5374 162.5470 -2048.3339 -2342.4669 921491.4634 -2048.3339 -2342.4669
ENERGY: 454 20248.3380 20654.1378 5720.2217 172.3637 -337567.1438 23320.6907 0.0000 0.0000 45008.1474 -222443.2444 163.7273 -267451.3918 -222041.8393 163.7273 -1453.4579 -2293.1451 921491.4634 -1453.4579 -2293.1451
ENERGY: 455 19486.7908 20584.7123 5718.4844 172.5169 -336790.6476 23290.4030 0.0000 0.0000 45086.5796 -222451.1606 164.0126 -267537.7402 -222040.8572 164.0126 -1151.8824 -2255.8572 921491.4634 -1151.8824 -2255.8572
ENERGY: 456 19493.3724 20440.6802 5717.7556 173.4248 -336350.1094 23274.9638 0.0000 0.0000 44811.4732 -222438.4393 163.0118 -267249.9126 -222055.3484 163.0118 -1305.5002 -2245.5821 921491.4634 -1305.5002 -2245.5821
ENERGY: 457 20047.4931 20251.9435 5718.5580 174.9241 -336395.8181 23277.8282 0.0000 0.0000 44521.8711 -222403.2000 161.9583 -266925.0712 -222049.4130 161.9583 -1906.4163 -2263.5010 921491.4634 -1906.4163 -2263.5010
ENERGY: 458 20585.8436 20019.2722 5720.7061 176.6081 -336835.0972 23294.7181 0.0000 0.0000 44632.7894 -222405.1597 162.3618 -267037.9491 -222051.2820 162.3618 -2684.6985 -2301.0424 921491.4634 -2684.6985 -2301.0424
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TIMING: 460 CPU: 216.021, 0.458803/step Wall: 216.021, 0.458803/step, 0.00509782 hours remaining, 3224.300781 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 -338014.3776 23341.8011 0.0000 0.0000 45423.8567 -222480.6118 165.2395 -267904.4685 -222064.6838 165.2395 -3669.8201 -2365.2410 921491.4634 -3669.8201 -2365.2410
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ENERGY: 462 22264.2251 19487.8102 5736.4822 180.9531 -337988.7173 23351.1097 0.0000 0.0000 44559.9293 -222408.2076 162.0968 -266968.1369 -222056.7216 162.0968 -2954.8197 -2323.4248 921491.4634 -2954.8197 -2323.4248
ENERGY: 463 21821.1788 19513.9006 5738.9361 181.1160 -337284.1030 23326.9489 0.0000 0.0000 44313.4573 -222388.5654 161.2002 -266702.0227 -222054.6244 161.2002 -2012.4419 -2264.0775 921491.4634 -2012.4419 -2264.0775
ENERGY: 464 20535.2459 19559.9261 5739.2518 181.0096 -336389.3845 23291.1954 0.0000 0.0000 44654.0269 -222428.7287 162.4391 -267082.7557 -222058.5732 162.4391 -1050.9223 -2205.5265 921491.4634 -1050.9223 -2205.5265
ENERGY: 465 19322.7827 19631.8842 5737.2899 180.7155 -335701.1541 23259.7405 0.0000 0.0000 45094.5691 -222474.1722 164.0416 -267568.7412 -222052.9390 164.0416 -512.3342 -2174.4005 921491.4634 -512.3342 -2174.4005
ENERGY: 466 19088.4511 19708.3571 5733.2107 180.2808 -335443.7736 23245.0619 0.0000 0.0000 45020.7911 -222467.6208 163.7733 -267488.4119 -222052.9787 163.7733 -630.3310 -2182.6707 921491.4634 -630.3310 -2182.6707
ENERGY: 467 19841.8071 19783.1735 5727.6704 179.7757 -335721.0965 23249.4547 0.0000 0.0000 44523.6667 -222415.5485 161.9649 -266939.2152 -222054.3497 161.9649 -1393.6027 -2232.5920 921491.4634 -1393.6027 -2232.5920
ENERGY: 468 20761.8484 19845.4939 5721.5090 179.2779 -336451.5682 23265.8144 0.0000 0.0000 44291.6584 -222385.9662 161.1209 -266677.6247 -222056.3590 161.1209 -2508.6711 -2314.1335 921491.4634 -2508.6711 -2314.1335
ENERGY: 469 21236.3019 19910.2022 5715.6824 178.8504 -337458.3221 23284.3982 0.0000 0.0000 44720.3199 -222412.5672 162.6802 -267132.8871 -222046.0749 162.6802 -3596.7403 -2405.7967 921491.4634 -3596.7403 -2405.7967
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1734 19972.8937 5710.9491 178.5947 -338383.2531 23297.0695 0.0000 0.0000 45346.4570 -222466.1156 164.9579 -267812.5726 -222047.6088 164.9579 -4259.6992 -2477.6826 921491.4634 -4259.6992 -2477.6826
ENERGY: 471 21732.8678 20054.6839 5707.9626 178.5890 -338913.2478 23297.5110 0.0000 0.0000 45471.3364 -222470.2970 165.4122 -267941.6334 -222047.5359 165.4122 -4290.5678 -2504.3169 921491.4634 -4290.5678 -2504.3169
ENERGY: 472 22081.2360 20161.5555 5707.0091 178.9047 -338870.6797 23279.4518 0.0000 0.0000 45028.5296 -222433.9931 163.8014 -267462.5227 -222059.5060 163.8014 -3659.7353 -2479.9177 921491.4634 -3659.7353 -2479.9177
ENERGY: 473 21866.1361 20289.3428 5707.9843 179.6165 -338307.7221 23240.7392 0.0000 0.0000 44634.5172 -222389.3861 162.3681 -267023.9033 -222043.8541 162.3681 -2556.3607 -2408.1650 921491.4634 -2556.3607 -2408.1650
ENERGY: 474 20842.9704 20372.0987 5710.2161 180.7466 -337438.4582 23189.2378 0.0000 0.0000 44733.2304 -222409.9583 162.7272 -267143.1887 -222041.2621 162.7272 -1295.5515 -2316.2720 921491.4634 -1295.5515 -2316.2720
ENERGY: 475 19674.2079 20371.7674 5712.9876 182.2512 -336604.2341 23142.3848 0.0000 0.0000 45070.2134 -222450.4218 163.9530 -267520.6352 -222039.4532 163.9530 -344.6439 -2232.2117 921491.4634 -344.6439 -2232.2117
ENERGY: 476 19235.7860 20282.0275 5715.7683 184.0125 -336100.0929 23115.8497 0.0000 0.0000 45106.0627 -222460.5862 164.0835 -267566.6489 -222053.6138 164.0835 -92.4040 -2183.0644 921491.4634 -92.4040 -2183.0644
ENERGY: 477 19704.7248 20145.9814 5718.4976 185.9230 -336101.8812 23114.2970 0.0000 0.0000 44812.3198 -222420.1375 163.0149 -267232.4574 -222044.8412 163.0149 -667.4938 -2171.8220 921491.4634 -667.4938 -2171.8220
ENERGY: 478 20493.4776 19974.7640 5721.0254 187.7262 -336537.4055 23131.2490 0.0000 0.0000 44627.0318 -222402.1315 162.3409 -267029.1633 -222047.4107 162.3409 -1807.1597 -2198.7948 921491.4634 -1807.1597 -2198.7948
ENERGY: 479 21125.3059 19793.3957 5723.3295 189.2099 -337215.5854 23156.6801 0.0000 0.0000 44802.1559 -222425.5083 162.9779 -267227.6642 -222050.5460 162.9779 -3089.8509 -2246.7909 921491.4634 -3089.8509 -2246.7909
TIMING: 480 CPU: 225.19, 0.458454/step Wall: 225.19, 0.458454/step, 0.00254697 hours remaining, 3224.300781 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 -337854.6796 23181.5147 0.0000 0.0000 45051.6796 -222458.7551 163.8856 -267510.4347 -222064.6211 163.8856 -4077.7320 -2291.4883 921491.4634 -4077.7320 -2291.4883
ENERGY: 481 22092.4851 19510.0429 5727.0952 190.6351 -338199.2487 23196.7987 0.0000 0.0000 45041.3353 -222440.8564 163.8480 -267482.1917 -222052.5266 163.8480 -4466.2386 -2305.6724 921491.4634 -4466.2386 -2305.6724
ENERGY: 482 22186.3462 19466.6787 5728.4964 190.3598 -338044.5422 23192.7501 0.0000 0.0000 44865.8509 -222414.0601 163.2096 -267279.9110 -222051.4113 163.2096 -4059.3088 -2278.0607 921491.4634 -4059.3088 -2278.0607
ENERGY: 483 21553.1409 19511.5736 5729.5660 189.3227 -337426.2188 23165.8765 0.0000 0.0000 44861.8960 -222414.8431 163.1952 -267276.7390 -222048.7673 163.1952 -2964.1713 -2216.4109 921491.4634 -2964.1713 -2216.4109
ENERGY: 484 20460.8924 19631.1930 5730.2465 187.5455 -336590.8884 23126.1375 0.0000 0.0000 45003.6022 -222451.2712 163.7107 -267454.8734 -222059.8737 163.7107 -1565.2414 -2143.1840 921491.4634 -1565.2414 -2143.1840
ENERGY: 485 19688.7721 19800.2984 5730.5256 185.2458 -335902.5869 23092.8493 0.0000 0.0000 44955.5716 -222449.3241 163.5360 -267404.8957 -222045.9601 163.5360 -422.1559 -2086.8727 921491.4634 -422.1559 -2086.8727
ENERGY: 486 19602.5427 19954.8172 5729.7198 182.4662 -335612.3574 23080.3828 0.0000 0.0000 44645.9111 -222416.5177 162.4096 -267062.4288 -222044.6756 162.4096 87.3188 -2070.0974 921491.4634 87.3188 -2070.0974
ENERGY: 487 19881.0925 20072.0212 5727.4347 179.4360 -335846.4492 23091.0563 0.0000 0.0000 44503.3490 -222392.0595 161.8910 -266895.4085 -222045.2402 161.8910 -192.2341 -2106.8834 921491.4634 -192.2341 -2106.8834
ENERGY: 488 20125.2099 20156.1364 5723.5441 176.4338 -336552.5471 23118.8633 0.0000 0.0000 44827.0555 -222425.3042 163.0685 -267252.3596 -222057.1939 163.0685 -1145.7532 -2194.6676 921491.4634 -1145.7532 -2194.6676
ENERGY: 489 20526.8872 20236.4614 5718.5749 173.8639 -337540.4677 23156.7325 0.0000 0.0000 45266.1004 -222461.8474 164.6656 -267727.9478 -222045.6087 164.6656 -2511.2403 -2316.7063 921491.4634 -2511.2403 -2316.7063
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7488 20292.9027 5712.8912 171.8438 -338458.1384 23196.4890 0.0000 0.0000 45213.5634 -222459.6994 164.4745 -267673.2629 -222048.2209 164.4745 -3823.4036 -2437.4152 921491.4634 -3823.4036 -2437.4152
ENERGY: 491 22430.4635 20312.1366 5707.3795 170.5404 -338984.5818 23226.0948 0.0000 0.0000 44733.0100 -222404.9570 162.7264 -267137.9670 -222049.4639 162.7264 -4629.6932 -2524.6213 921491.4634 -4629.6932 -2524.6213
ENERGY: 492 22612.9542 20289.6816 5702.9944 170.0208 -338937.5841 23232.7214 0.0000 0.0000 44542.1966 -222387.0151 162.0323 -266929.2117 -222060.3860 162.0323 -4606.8521 -2557.4728 921491.4634 -4606.8521 -2557.4728
ENERGY: 493 21558.2186 20260.7379 5700.7779 170.3201 -338358.0660 23214.0544 0.0000 0.0000 45033.8246 -222420.1326 163.8207 -267453.9572 -222046.5901 163.8207 -3796.3816 -2540.0995 921491.4634 -3796.3816 -2540.0995
ENERGY: 494 20068.3367 20225.0267 5700.9806 171.2193 -337454.3863 23183.0801 0.0000 0.0000 45622.2490 -222483.4939 165.9612 -268105.7429 -222044.0867 165.9612 -2500.8990 -2482.1068 921491.4634 -2500.8990 -2482.1068
ENERGY: 495 19383.2465 20186.8309 5703.5926 172.5416 -336566.9915 23159.4629 0.0000 0.0000 45484.1245 -222477.1925 165.4587 -267961.3171 -222041.5563 165.4587 -1249.6837 -2407.3056 921491.4634 -1249.6837 -2407.3056
ENERGY: 496 19722.4835 20130.6481 5708.0350 174.0933 -335998.7181 23154.2638 0.0000 0.0000 44699.5285 -222409.6658 162.6046 -267109.1943 -222049.0668 162.6046 -478.8998 -2343.4751 921491.4634 -478.8998 -2343.4751
ENERGY: 497 20212.6669 20059.9185 5713.4613 175.7242 -335952.5065 23166.3547 0.0000 0.0000 44261.0301 -222363.3508 161.0095 -266624.3809 -222042.7498 161.0095 -421.0234 -2316.7929 921491.4634 -421.0234 -2316.7929
ENERGY: 498 20182.0168 19957.1222 5718.5597 177.2604 -336366.4951 23189.3586 0.0000 0.0000 44728.2545 -222413.9231 162.7091 -267142.1776 -222044.5218 162.7091 -993.4682 -2331.6473 921491.4634 -993.4682 -2331.6473
ENERGY: 499 20158.0681 19847.7311 5722.4090 178.6361 -337058.4836 23219.2403 0.0000 0.0000 45439.2653 -222493.1337 165.2956 -267932.3990 -222047.2060 165.2956 -2020.8690 -2376.3391 921491.4634 -2020.8690 -2376.3391
Info: Benchmark time: 4 CPUs 0.458024 s/step 5.30121 days/ns 3224.3 MB memory
TIMING: 500 CPU: 234.283, 0.454639/step Wall: 234.283, 0.454639/step, 0 hours remaining, 3224.300781 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 20974.8937 19756.6581 5724.4523 179.8271 -337741.4199 23251.1007 0.0000 0.0000 45359.0788 -222495.4091 165.0039 -267854.4879 -222061.0909 165.0039 -3197.5168 -2425.4142 921491.4634 -3197.5168 -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, 3229.555 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.555 MB of memory in use
====================================================
WallClock: 241.171036 CPUTime: 241.171036 Memory: 3229.554688 MB
[Partition 0][Node 0] End of program
Application 102317265 resources: utime ~948s, stime ~18s, Rss ~126752, inblocks ~67176, outblocks ~72238
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins2574071701936422592.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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