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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 ============== 54.6264
LDB: Largest compute 200 load 0.430494 is 1.2% of average load 36.900154
LDB: Average compute 0.051690 is 0.1% of average load 36.900154
LDB: Partitioning computes with target load 3.690015
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055717
LDB: ============== END OF LOAD BALANCING =============== 54.6285
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.6294
Info: Initial time: 4 CPUs 0.47761 s/step 5.5279 days/ns 3221.48 MB memory
TIMING: 100 CPU: 48.7325, 0.476628/step Wall: 48.7325, 0.476628/step, 0.0529586 hours remaining, 3221.476562 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 64.1411
LDB: ============== END OF LOAD BALANCING =============== 64.1412
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.1417
TIMING: 120 CPU: 58.2444, 0.475595/step Wall: 58.2444, 0.475595/step, 0.0502017 hours remaining, 3221.605469 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 21553.6087 18898.7761 5736.4508 185.0194 -334776.0137 21118.0423 0.0000 0.0000 44811.1497 -222472.9667 163.0106 -267284.1164 -222216.5364 163.0106 -5536.0555 -2842.3154 921491.4634 -5536.0555 -2842.3154
ENERGY: 131 21530.9956 19804.6628 5745.0872 187.0957 -335083.2644 21105.7069 0.0000 0.0000 44221.5103 -222488.2059 160.8657 -266709.7162 -222215.1805 160.8657 -5164.7863 -2872.9597 921491.4634 -5164.7863 -2872.9597
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ENERGY: 136 18381.4539 21453.0793 5750.0867 193.4037 -332655.7487 21006.3295 0.0000 0.0000 43348.3540 -222523.0417 157.6894 -265871.3957 -222211.0693 157.6894 198.1851 -2776.3542 921491.4634 198.1851 -2776.3542
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ENERGY: 138 21874.8525 19195.4802 5730.8549 192.8766 -333203.4342 21083.5324 0.0000 0.0000 42784.9638 -222340.8738 155.6399 -265125.8376 -222213.1815 155.6399 -2704.7054 -2927.3524 921491.4634 -2704.7054 -2927.3524
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TIMING: 140 CPU: 67.7508, 0.475318/step Wall: 67.7508, 0.475318/step, 0.0475318 hours remaining, 3221.941406 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: 140 20992.5976 17997.1577 5722.1741 192.2140 -333726.9443 21127.4061 0.0000 0.0000 45144.2513 -222551.1435 164.2224 -267695.3948 -222224.0363 164.2224 -5617.7628 -3080.3639 921491.4634 -5617.7628 -3080.3639
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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 21015.8992 19956.3835 5767.3089 192.0924 -334899.3755 20845.5772 0.0000 0.0000 44606.5897 -222515.5245 162.2665 -267122.1142 -222153.2667 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
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TIMING: 160 CPU: 77.2462, 0.474768/step Wall: 77.2461, 0.474768/step, 0.0448392 hours remaining, 3222.089844 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 180 CPU: 86.7306, 0.47422/step Wall: 86.7306, 0.47422/step, 0.0421529 hours remaining, 3222.230469 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 ============== 102.112
LDB: Largest compute 200 load 0.425493 is 1.2% of average load 36.711048
LDB: Average compute 0.051424 is 0.1% of average load 36.711048
LDB: TIME 102.114 LOAD: AVG 36.711 MAX 37.97 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.57 MB
LDB: TIME 102.116 LOAD: AVG 36.711 MAX 37.7146 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.57 MB
LDB: ============== END OF LOAD BALANCING =============== 102.118
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 102.121
Info: Initial time: 4 CPUs 0.47477 s/step 5.49503 days/ns 3223.43 MB memory
TIMING: 200 CPU: 96.2195, 0.47445/step Wall: 96.2195, 0.47445/step, 0.0395375 hours remaining, 3223.433594 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: 213 20150.2160 19524.5249 5720.1722 175.9508 -334874.6444 21380.5552 0.0000 0.0000 45418.7805 -222504.4448 165.2210 -267923.2253 -222097.3836 165.2210 -2174.3118 -2725.0841 921491.4634 -2174.3118 -2725.0841
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ENERGY: 216 20973.4716 19522.5061 5756.9571 180.1770 -332560.1060 21436.4836 0.0000 0.0000 42442.1786 -222248.3321 154.3930 -264690.5107 -222073.6159 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
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ENERGY: 218 20165.9155 19540.0889 5761.2415 184.9927 -333856.1146 21546.6561 0.0000 0.0000 44178.6835 -222478.5364 160.7099 -266657.2199 -222068.8158 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
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TIMING: 220 CPU: 105.692, 0.473603/step Wall: 105.692, 0.473603/step, 0.0368358 hours remaining, 3223.433594 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: 115.158, 0.473329/step Wall: 115.158, 0.473329/step, 0.0341849 hours remaining, 3223.433594 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 242 22110.7716 20111.8209 5758.5348 169.0441 -335904.8196 21831.0567 0.0000 0.0000 43526.8719 -222396.7196 158.3388 -265923.5915 -222063.5736 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
ENERGY: 243 19462.3620 19969.6446 5749.3614 168.8705 -335233.7068 21770.4748 0.0000 0.0000 45537.0689 -222575.9246 165.6513 -268112.9935 -222061.6674 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
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ENERGY: 246 20878.5480 19853.7027 5716.8932 174.1558 -334213.1207 21705.0850 0.0000 0.0000 43600.4180 -222284.3180 158.6063 -265884.7359 -222067.4297 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5285 19979.6442 5712.7400 177.5412 -334802.1843 21719.8454 0.0000 0.0000 44912.1910 -222431.6939 163.3782 -267343.8849 -222068.1396 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4924 20164.4298 5713.8450 181.3144 -335623.1353 21746.4311 0.0000 0.0000 46185.9361 -222595.6866 168.0117 -268781.6227 -222090.3128 168.0117 -1359.1246 -2608.3065 921491.4634 -1359.1246 -2608.3065
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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: 260 CPU: 124.611, 0.472654/step Wall: 124.611, 0.472654/step, 0.0315103 hours remaining, 3223.742188 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 19781.1229 20140.5625 5703.8103 187.9445 -335614.9716 21924.4740 0.0000 0.0000 45349.7770 -222527.2805 164.9700 -267877.0574 -222051.1548 164.9700 -2647.8116 -2773.3903 921491.4634 -2647.8116 -2773.3903
ENERGY: 264 19385.2261 20436.4308 5710.6950 187.5052 -334855.9514 21907.7773 0.0000 0.0000 44751.4782 -222476.8389 162.7936 -267228.3170 -222069.1983 162.7936 -2191.1927 -2723.5294 921491.4634 -2191.1927 -2723.5294
ENERGY: 265 19946.8415 20681.9928 5713.6241 187.4392 -334395.6634 21906.0164 0.0000 0.0000 43607.6372 -222352.1121 158.6326 -265959.7493 -222054.3372 158.6326 -2038.0573 -2683.6035 921491.4634 -2038.0573 -2683.6035
ENERGY: 266 20048.7898 20788.8702 5712.1327 187.6137 -334399.4578 21914.4805 0.0000 0.0000 43399.3796 -222348.1912 157.8750 -265747.5708 -222054.3635 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0904 20691.2678 5707.0583 187.8501 -334831.4855 21930.8375 0.0000 0.0000 44220.2168 -222446.1646 160.8610 -266666.3814 -222055.6585 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9159 20375.7515 5700.1930 187.9286 -335513.7450 21959.1258 0.0000 0.0000 44823.5377 -222504.2925 163.0557 -267327.8302 -222075.9876 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
ENERGY: 270 22620.1933 19450.9165 5690.3173 187.1618 -336650.6774 22028.8071 0.0000 0.0000 44308.0074 -222365.2739 161.1804 -266673.2814 -222067.0435 161.1804 -3583.3633 -2617.7583 921491.4634 -3583.3633 -2617.7583
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ENERGY: 272 21021.5585 18896.0659 5692.8269 184.9335 -335921.4615 22015.0581 0.0000 0.0000 45607.7075 -222503.3111 165.9083 -268111.0186 -222081.1573 165.9083 -2551.9685 -2501.8805 921491.4634 -2551.9685 -2501.8805
ENERGY: 273 20123.2137 18932.9078 5697.5118 183.8526 -334925.7013 21985.5297 0.0000 0.0000 45502.7159 -222499.9697 165.5264 -268002.6856 -222069.0460 165.5264 -1837.1977 -2434.6760 921491.4634 -1837.1977 -2434.6760
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ENERGY: 276 19401.8501 19594.7507 5701.2547 182.4904 -333292.1282 21971.0411 0.0000 0.0000 44028.5271 -222412.2142 160.1637 -266440.7413 -222072.9396 160.1637 -1580.1300 -2417.6040 921491.4634 -1580.1300 -2417.6040
ENERGY: 277 19149.2971 19724.7159 5695.5210 182.9396 -333864.3455 21997.2388 0.0000 0.0000 44632.8111 -222481.8219 162.3619 -267114.6331 -222061.0989 162.3619 -2311.7543 -2498.0545 921491.4634 -2311.7543 -2498.0545
ENERGY: 278 20199.4575 19713.7760 5686.9122 183.6585 -334821.1005 22041.3360 0.0000 0.0000 44532.2540 -222463.7063 161.9961 -266995.9603 -222063.4132 161.9961 -3254.8155 -2593.7696 921491.4634 -3254.8155 -2593.7696
ENERGY: 279 21984.3648 19593.9432 5677.5176 184.5187 -335888.5803 22096.4200 0.0000 0.0000 43975.0879 -222376.7281 159.9693 -266351.8160 -222065.2025 159.9693 -4044.3211 -2682.8389 921491.4634 -4044.3211 -2682.8389
TIMING: 280 CPU: 134.054, 0.472158/step Wall: 134.054, 0.472158/step, 0.0288541 hours remaining, 3223.742188 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: 282 20943.7899 19615.5383 5669.9796 186.8360 -336942.5041 22176.7656 0.0000 0.0000 45823.3367 -222526.2581 166.6927 -268349.5948 -222063.3319 166.6927 -2992.3273 -2779.3669 921491.4634 -2992.3273 -2779.3669
ENERGY: 283 20432.1062 19966.6618 5678.8137 187.1634 -336251.9207 22171.0650 0.0000 0.0000 45328.8517 -222487.2590 164.8939 -267816.1107 -222060.8463 164.8939 -2008.7738 -2748.2307 921491.4634 -2008.7738 -2748.2307
ENERGY: 284 20506.4000 20401.8825 5692.0830 187.1346 -335412.6302 22166.2911 0.0000 0.0000 44071.4477 -222387.3915 160.3198 -266458.8391 -222061.5540 160.3198 -1267.2791 -2712.3901 921491.4634 -1267.2791 -2712.3901
ENERGY: 285 20203.3287 20789.9630 5707.3565 186.7145 -334827.1966 22167.0167 0.0000 0.0000 43418.2627 -222354.5545 157.9437 -265772.8173 -222053.5967 157.9437 -1010.8437 -2700.0819 921491.4634 -1010.8437 -2700.0819
ENERGY: 286 19396.6308 20966.5622 5721.5031 185.8229 -334658.1147 22176.6864 0.0000 0.0000 43785.6879 -222425.2213 159.2803 -266210.9092 -222054.0583 159.2803 -1306.7500 -2717.2846 921491.4634 -1306.7500 -2717.2846
ENERGY: 287 19176.1188 20856.7821 5731.9346 184.4714 -334918.1477 22200.2911 0.0000 0.0000 44282.9436 -222485.6059 161.0892 -266768.5495 -222055.7254 161.0892 -2148.9610 -2753.3343 921491.4634 -2148.9610 -2753.3343
ENERGY: 288 20263.2086 20475.2849 5736.9557 182.7335 -335468.3144 22237.9039 0.0000 0.0000 44116.9902 -222455.2376 160.4855 -266572.2279 -222066.9054 160.4855 -3310.5877 -2790.1553 921491.4634 -3310.5877 -2790.1553
ENERGY: 289 21886.4833 19928.6976 5736.1905 180.7560 -336126.9118 22279.0691 0.0000 0.0000 43733.4510 -222382.2642 159.0903 -266115.7153 -222062.2725 159.0903 -4368.9812 -2809.8748 921491.4634 -4368.9812 -2809.8748
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 290 22615.9844 19325.5263 5730.3279 178.6973 -336571.4570 22308.2176 0.0000 0.0000 44027.4232 -222385.2803 160.1597 -266412.7035 -222063.4685 160.1597 -4815.3285 -2796.0389 921491.4634 -4815.3285 -2796.0389
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LDB: ============= START OF LOAD BALANCING ============== 149.42
LDB: Largest compute 200 load 0.527908 is 1.2% of average load 45.871988
LDB: Average compute 0.064256 is 0.1% of average load 45.871988
LDB: TIME 149.422 LOAD: AVG 45.872 MAX 47.2989 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.16 MB
LDB: TIME 149.423 LOAD: AVG 45.872 MAX 47.2989 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.16 MB
LDB: TIME 149.44 LOAD: AVG 45.872 MAX 46.3785 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.16 MB
LDB: ============== END OF LOAD BALANCING =============== 149.441
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 149.442
Info: Initial time: 4 CPUs 0.47272 s/step 5.4713 days/ns 3224.16 MB memory
TIMING: 300 CPU: 143.514, 0.472992/step Wall: 143.514, 0.472992/step, 0.0262773 hours remaining, 3224.160156 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: 300 21869.9882 20174.1894 5731.6695 182.6816 -337209.9037 22385.4781 0.0000 0.0000 44423.7996 -222442.0975 161.6016 -266865.8971 -222076.5871 161.6016 -4600.9409 -2563.6019 921491.4634 -4600.9409 -2563.6019
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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: 152.743, 0.461458/step Wall: 152.743, 0.461458/step, 0.0230729 hours remaining, 3224.160156 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: 322 22179.0070 20957.0459 5696.1855 180.4970 -337965.9635 22565.0703 0.0000 0.0000 43989.5237 -222398.6341 160.0218 -266388.1578 -222063.6580 160.0218 -4596.8831 -2640.5013 921491.4634 -4596.8831 -2640.5013
ENERGY: 323 21976.7007 21085.8080 5695.4506 181.8003 -337194.0749 22550.8103 0.0000 0.0000 43361.4901 -222342.0149 157.7372 -265703.5050 -222061.4468 157.7372 -3808.3607 -2616.6944 921491.4634 -3808.3607 -2616.6944
ENERGY: 324 20558.5069 20952.0212 5690.8582 183.3007 -336170.3973 22520.5741 0.0000 0.0000 43857.2498 -222407.8864 159.5406 -266265.1362 -222068.7483 159.5406 -2506.6901 -2573.6931 921491.4634 -2506.6901 -2573.6931
ENERGY: 325 19096.1752 20584.7375 5683.7433 184.8442 -335297.0509 22494.0544 0.0000 0.0000 44763.3952 -222490.1011 162.8369 -267253.4964 -222060.9513 162.8369 -1264.0245 -2529.6546 921491.4634 -1264.0245 -2529.6546
ENERGY: 326 18959.6360 20052.8001 5675.9627 186.2078 -334820.0098 22490.4169 0.0000 0.0000 44971.8220 -222483.1643 163.5951 -267454.9863 -222059.6110 163.5951 -572.2141 -2503.0558 921491.4634 -572.2141 -2503.0558
ENERGY: 327 20020.7820 19506.2791 5669.7116 187.2139 -334851.2522 22513.0145 0.0000 0.0000 44550.7421 -222403.5090 162.0634 -266954.2511 -222059.8761 162.0634 -657.4989 -2506.5013 921491.4634 -657.4989 -2506.5013
ENERGY: 328 20934.1977 19092.0089 5666.7484 187.7399 -335303.4704 22549.7453 0.0000 0.0000 44493.2351 -222379.7951 161.8542 -266873.0303 -222061.7262 161.8542 -1393.2036 -2547.3518 921491.4634 -1393.2036 -2547.3518
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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: 332 22513.8608 19292.8539 5689.3391 185.0892 -336383.5019 22636.4045 0.0000 0.0000 43697.6281 -222368.3263 158.9600 -266065.9544 -222061.8462 158.9600 -4514.5071 -2704.7029 921491.4634 -4514.5071 -2704.7029
ENERGY: 333 21854.9976 19482.7896 5696.6505 183.7309 -335681.4582 22608.9731 0.0000 0.0000 43501.2415 -222353.0750 158.2456 -265854.3165 -222052.0754 158.2456 -3943.3088 -2666.2161 921491.4634 -3943.3088 -2666.2161
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ENERGY: 336 19127.9133 19639.0996 5698.6022 180.2744 -334271.7858 22519.6999 0.0000 0.0000 44649.6647 -222456.5318 162.4232 -267106.1965 -222055.6203 162.4232 -1093.5004 -2488.8701 921491.4634 -1093.5004 -2488.8701
ENERGY: 337 20420.1633 19649.7065 5693.3319 179.7347 -334824.3561 22536.4224 0.0000 0.0000 43995.5996 -222349.3978 160.0439 -266344.9974 -222040.1026 160.0439 -1064.7182 -2460.5859 921491.4634 -1064.7182 -2460.5859
ENERGY: 338 21007.5745 19722.4646 5687.5590 179.5437 -335808.8624 22564.1945 0.0000 0.0000 44285.9171 -222361.6090 161.1000 -266647.5261 -222041.5960 161.1000 -1500.9496 -2462.8575 921491.4634 -1500.9496 -2462.8575
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TIMING: 340 CPU: 161.97, 0.46132/step Wall: 161.97, 0.46132/step, 0.0205031 hours remaining, 3224.160156 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: 342 22895.9215 20582.1012 5689.2419 181.0293 -337942.4480 22653.2572 0.0000 0.0000 43612.4989 -222328.3979 158.6503 -265940.8968 -222054.3606 158.6503 -3711.7548 -2460.9855 921491.4634 -3711.7548 -2460.9855
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ENERGY: 344 19898.5080 20447.2066 5699.9573 182.0106 -336095.2679 22596.5929 0.0000 0.0000 44790.9364 -222480.0561 162.9371 -267270.9925 -222071.3579 162.9371 -2338.1161 -2329.7492 921491.4634 -2338.1161 -2329.7492
ENERGY: 345 18694.7358 20199.0880 5702.3270 182.4513 -335224.1275 22568.7537 0.0000 0.0000 45351.4660 -222525.3057 164.9762 -267876.7717 -222058.0556 164.9762 -1576.2390 -2261.7960 921491.4634 -1576.2390 -2261.7960
ENERGY: 346 19350.9889 19892.9540 5701.0894 182.7368 -334783.0720 22565.1337 0.0000 0.0000 44652.5018 -222437.6674 162.4335 -267090.1692 -222056.8257 162.4335 -1239.3021 -2211.7780 921491.4634 -1239.3021 -2211.7780
ENERGY: 347 20669.8294 19583.9408 5696.3949 182.8447 -334881.4383 22581.1982 0.0000 0.0000 43831.1326 -222336.0977 159.4456 -266167.2302 -222056.9475 159.4456 -1358.8144 -2194.9211 921491.4634 -1358.8144 -2194.9211
ENERGY: 348 21062.2469 19315.9901 5689.3479 182.7918 -335425.6666 22604.2201 0.0000 0.0000 44195.9875 -222375.0823 160.7729 -266571.0698 -222064.0951 160.7729 -1766.2765 -2218.9157 921491.4634 -1766.2765 -2218.9157
ENERGY: 349 20718.9513 19143.3229 5681.9008 182.6959 -336197.3781 22630.4375 0.0000 0.0000 45349.6294 -222490.4403 164.9695 -267840.0698 -222056.3112 164.9695 -2336.6406 -2270.6250 921491.4634 -2336.6406 -2270.6250
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 350 21009.3450 19066.8674 5675.7227 182.5405 -336836.8355 22661.9754 0.0000 0.0000 45710.0735 -222530.3109 166.2807 -268240.3844 -222058.0880 166.2807 -2896.5509 -2326.8868 921491.4634 -2896.5509 -2326.8868
ENERGY: 351 22235.3181 19085.8713 5672.3994 182.3761 -337072.3449 22693.2957 0.0000 0.0000 44770.4135 -222432.6707 162.8625 -267203.0842 -222058.6359 162.8625 -3254.0187 -2369.0508 921491.4634 -3254.0187 -2369.0508
ENERGY: 352 22912.9251 19180.1281 5672.7329 182.2243 -336794.7859 22708.6919 0.0000 0.0000 43795.3991 -222342.6844 159.3156 -266138.0835 -222059.3900 159.3156 -3190.0138 -2394.0289 921491.4634 -3190.0138 -2394.0289
ENERGY: 353 21825.9776 19344.0937 5676.6445 182.1014 -336147.6553 22699.4232 0.0000 0.0000 44043.1856 -222376.2293 160.2170 -266419.4149 -222047.6764 160.2170 -2709.1543 -2407.4663 921491.4634 -2709.1543 -2407.4663
ENERGY: 354 19814.0381 19544.5093 5682.7361 181.9868 -335375.1827 22676.8666 0.0000 0.0000 44983.0758 -222491.9701 163.6361 -267475.0459 -222046.2244 163.6361 -2040.9899 -2415.4742 921491.4634 -2040.9899 -2415.4742
ENERGY: 355 18879.8417 19773.7510 5689.2466 181.9196 -334823.9960 22664.4420 0.0000 0.0000 45120.2679 -222514.5273 164.1351 -267634.7951 -222044.8384 164.1351 -1600.3169 -2424.6827 921491.4634 -1600.3169 -2424.6827
ENERGY: 356 19622.4370 20015.8112 5694.4280 181.9402 -334758.7698 22674.4078 0.0000 0.0000 44153.0885 -222416.6570 160.6168 -266569.7456 -222053.0967 160.6168 -1622.0263 -2446.8266 921491.4634 -1622.0263 -2446.8266
ENERGY: 357 20687.2711 20255.1058 5697.1708 182.0215 -335288.0653 22700.2948 0.0000 0.0000 43438.0178 -222328.1835 158.0156 -265766.2013 -222042.2335 158.0156 -2061.3606 -2486.6663 921491.4634 -2061.3606 -2486.6663
ENERGY: 358 20785.4065 20424.8432 5696.9833 182.1295 -336225.9487 22730.2418 0.0000 0.0000 44019.5824 -222386.7621 160.1311 -266406.3444 -222043.9950 160.1311 -2636.8580 -2541.3593 921491.4634 -2636.8580 -2541.3593
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TIMING: 360 CPU: 171.18, 0.460495/step Wall: 171.18, 0.460495/step, 0.0179081 hours remaining, 3224.160156 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: 377 20646.4608 20251.1595 5706.5521 182.3248 -335763.5808 22794.3776 0.0000 0.0000 43848.2754 -222334.4306 159.5080 -266182.7060 -222041.4016 159.5080 -1819.5856 -2472.4986 921491.4634 -1819.5856 -2472.4986
ENERGY: 378 20473.8098 20495.6595 5711.4639 183.2952 -336584.2285 22821.5839 0.0000 0.0000 44474.7537 -222423.6624 161.7869 -266898.4161 -222044.3970 161.7869 -2972.9871 -2523.3498 921491.4634 -2972.9871 -2523.3498
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TIMING: 380 CPU: 180.392, 0.460632/step Wall: 180.392, 0.460632/step, 0.0153544 hours remaining, 3224.160156 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: 383 21263.6994 19910.9245 5714.6670 180.7420 -337128.0233 22911.2848 0.0000 0.0000 44707.9442 -222438.7616 162.6352 -267146.7057 -222048.1885 162.6352 -2023.0804 -2294.0131 921491.4634 -2023.0804 -2294.0131
ENERGY: 384 19625.4114 19596.0352 5710.5349 179.0647 -336052.0490 22884.2537 0.0000 0.0000 45539.1829 -222517.5661 165.6590 -268056.7490 -222062.0929 165.6590 -569.2380 -2166.9357 921491.4634 -569.2380 -2166.9357
ENERGY: 385 19327.8182 19356.8910 5707.7752 177.4354 -335210.6404 22871.6147 0.0000 0.0000 45299.7167 -222469.3893 164.7879 -267769.1059 -222051.0996 164.7879 215.3514 -2064.3635 921491.4634 215.3514 -2064.3635
ENERGY: 386 19981.2273 19220.9463 5707.6638 175.9384 -334865.1820 22880.7961 0.0000 0.0000 44519.8582 -222378.7519 161.9510 -266898.6101 -222051.0441 161.9510 122.6671 -2011.2427 921491.4634 122.6671 -2011.2427
ENERGY: 387 20367.2859 19202.4843 5710.9354 174.6759 -335109.8728 22905.2747 0.0000 0.0000 44377.1813 -222372.0352 161.4320 -266749.2166 -222053.0053 161.4320 -738.9582 -2019.1687 921491.4634 -738.9582 -2019.1687
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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 19692.8114 20133.3592 5716.9814 176.0456 -336812.3388 23014.0591 0.0000 0.0000 45592.7324 -222486.3498 165.8538 -268079.0822 -222045.7224 165.8538 -1710.2232 -2443.6963 921491.4634 -1710.2232 -2443.6963
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LDB: ============= START OF LOAD BALANCING ============== 195.534
LDB: Largest compute 230 load 0.528720 is 1.2% of average load 45.790297
LDB: Average compute 0.064131 is 0.1% of average load 45.790297
LDB: TIME 195.536 LOAD: AVG 45.7903 MAX 46.0914 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.16 MB
LDB: TIME 195.536 LOAD: AVG 45.7903 MAX 46.0914 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.16 MB
LDB: TIME 195.536 LOAD: AVG 45.7903 MAX 46.0914 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.16 MB
LDB: ============== END OF LOAD BALANCING =============== 195.537
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 195.538
Info: Benchmark time: 4 CPUs 0.46085 s/step 5.33392 days/ns 3224.16 MB memory
TIMING: 400 CPU: 189.603, 0.460548/step Wall: 189.603, 0.460548/step, 0.012793 hours remaining, 3224.160156 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: 403 20784.9695 19778.4825 5715.7218 174.2695 -337239.9788 23077.8407 0.0000 0.0000 45225.5962 -222483.0986 164.5183 -267708.6948 -222046.6856 164.5183 -3613.5978 -2605.7427 921491.4634 -3613.5978 -2605.7427
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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: 416 19942.3168 20661.9897 5710.0857 195.6953 -336157.5869 23063.1716 0.0000 0.0000 44200.2854 -222384.0423 160.7885 -266584.3277 -222052.9646 160.7885 -282.7613 -2224.6897 921491.4634 -282.7613 -2224.6897
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ENERGY: 418 20154.6646 20457.0908 5705.5847 188.6536 -336970.7871 23098.6727 0.0000 0.0000 44915.1426 -222450.9781 163.3889 -267366.1206 -222046.7095 163.3889 -671.8544 -2269.9921 921491.4634 -671.8544 -2269.9921
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TIMING: 420 CPU: 198.794, 0.45952/step Wall: 198.794, 0.45952/step, 0.0102116 hours remaining, 3224.160156 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: 428 20140.4226 19760.4171 5710.4628 168.5259 -336199.9853 23087.7679 0.0000 0.0000 44884.2592 -222448.1298 163.2766 -267332.3890 -222058.0551 163.2766 -935.5729 -2206.9583 921491.4634 -935.5729 -2206.9583
ENERGY: 429 21147.3675 19912.0620 5712.1358 168.3557 -337181.5908 23116.4523 0.0000 0.0000 44706.5239 -222418.6936 162.6300 -267125.2175 -222045.4883 162.6300 -1630.8083 -2233.4560 921491.4634 -1630.8083 -2233.4560
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9872 20024.3740 5712.1700 168.1897 -338096.9207 23149.4495 0.0000 0.0000 44626.3094 -222402.4408 162.3382 -267028.7502 -222047.3917 162.3382 -2472.2455 -2268.0463 921491.4634 -2472.2455 -2268.0463
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ENERGY: 432 21768.3703 20188.6728 5710.3547 168.1086 -338651.2105 23176.0848 0.0000 0.0000 45177.9905 -222461.6288 164.3451 -267639.6193 -222065.9061 164.3451 -3350.2741 -2296.1496 921491.4634 -3350.2741 -2296.1496
ENERGY: 433 21200.9073 20275.9667 5710.3763 168.4633 -338164.0641 23162.2913 0.0000 0.0000 45192.9279 -222453.1313 164.3995 -267646.0592 -222052.5984 164.3995 -3187.3733 -2272.1275 921491.4634 -3187.3733 -2272.1275
ENERGY: 434 20730.3414 20338.1502 5711.6061 169.3247 -337394.2706 23140.7737 0.0000 0.0000 44883.0991 -222420.9754 163.2724 -267304.0745 -222051.1465 163.2724 -2694.3108 -2227.7884 921491.4634 -2694.3108 -2227.7884
ENERGY: 435 20235.2201 20362.4017 5714.0003 170.8455 -336680.6555 23123.4099 0.0000 0.0000 44675.9834 -222398.7947 162.5189 -267074.7781 -222049.5891 162.5189 -2061.3581 -2179.8950 921491.4634 -2061.3581 -2179.8950
ENERGY: 436 19670.9240 20349.9983 5717.2345 173.0864 -336303.8810 23119.9079 0.0000 0.0000 44847.0980 -222425.6319 163.1414 -267272.7299 -222059.6961 163.1414 -1520.6597 -2145.1616 921491.4634 -1520.6597 -2145.1616
ENERGY: 437 19434.5513 20329.5093 5720.9893 175.9827 -336411.9782 23136.3869 0.0000 0.0000 45159.2684 -222455.2903 164.2770 -267614.5587 -222050.7505 164.2770 -1319.1167 -2134.4848 921491.4634 -1319.1167 -2134.4848
ENERGY: 438 19935.1531 20278.6096 5724.6883 179.3849 -336899.4573 23173.5520 0.0000 0.0000 45148.1319 -222459.9376 164.2365 -267608.0695 -222051.5671 164.2365 -1493.0940 -2145.0880 921491.4634 -1493.0940 -2145.0880
ENERGY: 439 21052.7408 20184.4296 5727.7929 183.0561 -337561.7716 23224.7482 0.0000 0.0000 44760.8205 -222428.1835 162.8276 -267189.0040 -222052.7968 162.8276 -1936.1988 -2169.8746 921491.4634 -1936.1988 -2169.8746
TIMING: 440 CPU: 207.986, 0.459632/step Wall: 207.986, 0.459632/step, 0.00766053 hours remaining, 3224.160156 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 20036.2370 5729.7527 186.7202 -338123.1805 23276.2486 0.0000 0.0000 44417.5455 -222405.1082 161.5788 -266822.6537 -222059.4776 161.5788 -2408.4614 -2197.9672 921491.4634 -2408.4614 -2197.9672
ENERGY: 441 22355.5486 19860.0407 5730.3488 190.1146 -338361.1714 23313.2044 0.0000 0.0000 44502.6962 -222409.2182 161.8886 -266911.9144 -222050.0863 161.8886 -2716.1029 -2221.5315 921491.4634 -2716.1029 -2221.5315
ENERGY: 442 21853.6118 19664.5347 5729.4854 192.9411 -338090.1533 23327.1567 0.0000 0.0000 44880.6319 -222441.7916 163.2634 -267322.4235 -222049.7758 163.2634 -2710.5578 -2229.0697 921491.4634 -2710.5578 -2229.0697
ENERGY: 443 21064.3317 19487.0719 5727.6164 194.9329 -337369.3150 23320.0157 0.0000 0.0000 45118.1106 -222457.2357 164.1273 -267575.3463 -222048.5999 164.1273 -2448.1651 -2220.3532 921491.4634 -2448.1651 -2220.3532
ENERGY: 444 20449.3365 19357.2687 5725.4095 195.8735 -336464.1923 23301.5275 0.0000 0.0000 44987.7176 -222447.0591 163.6530 -267434.7767 -222057.9800 163.6530 -2090.2101 -2206.4400 921491.4634 -2090.2101 -2206.4400
ENERGY: 445 20125.5608 19307.2515 5723.6513 195.6942 -335759.3914 23283.8137 0.0000 0.0000 44708.7156 -222414.7044 162.6380 -267123.4200 -222046.5430 162.6380 -1846.9627 -2201.6926 921491.4634 -1846.9627 -2201.6926
ENERGY: 446 19947.6803 19324.9004 5722.5430 194.3235 -335494.5709 23276.0449 0.0000 0.0000 44620.2948 -222408.7841 162.3164 -267029.0789 -222046.1623 162.3164 -1800.7518 -2216.7294 921491.4634 -1800.7518 -2216.7294
ENERGY: 447 19914.2846 19416.0210 5722.2107 191.8641 -335769.4402 23282.7456 0.0000 0.0000 44816.5090 -222425.8052 163.0301 -267242.3142 -222046.8345 163.0301 -1993.3112 -2253.0604 921491.4634 -1993.3112 -2253.0604
ENERGY: 448 20187.5921 19583.6801 5722.5764 188.5554 -336503.1802 23303.8902 0.0000 0.0000 45065.6675 -222451.2186 163.9365 -267516.8860 -222059.3481 163.9365 -2372.1877 -2303.7899 921491.4634 -2372.1877 -2303.7899
ENERGY: 449 20877.4061 19832.6988 5723.5712 184.8596 -337500.9075 23334.5921 0.0000 0.0000 45101.1678 -222446.6120 164.0657 -267547.7797 -222047.7100 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 20108.1303 5724.4776 181.0897 -338419.3255 23364.6241 0.0000 0.0000 44854.3097 -222432.2087 163.1677 -267286.5184 -222048.7861 163.1677 -3116.6757 -2394.3896 921491.4634 -3116.6757 -2394.3896
ENERGY: 451 22355.5902 20357.7258 5724.7144 177.6517 -338952.0915 23381.8005 0.0000 0.0000 44542.6989 -222411.9101 162.0341 -266954.6090 -222048.8246 162.0341 -3074.2534 -2405.7798 921491.4634 -3074.2534 -2405.7798
ENERGY: 452 22246.2016 20536.0136 5723.8953 174.8859 -338927.1548 23378.0942 0.0000 0.0000 44452.9198 -222415.1444 161.7075 -266868.0641 -222059.6374 161.7075 -2659.9608 -2384.7569 921491.4634 -2659.9608 -2384.7569
ENERGY: 453 21399.8729 20641.1312 5722.2878 173.1350 -338392.7943 23354.5906 0.0000 0.0000 44683.7034 -222418.0734 162.5470 -267101.7768 -222043.5376 162.5470 -2048.3341 -2342.4669 921491.4634 -2048.3341 -2342.4669
ENERGY: 454 20248.3383 20654.1374 5720.2217 172.3637 -337567.1422 23320.6901 0.0000 0.0000 45008.1465 -222443.2445 163.7273 -267451.3911 -222041.8395 163.7273 -1453.4581 -2293.1451 921491.4634 -1453.4581 -2293.1451
ENERGY: 455 19486.7906 20584.7119 5718.4844 172.5169 -336790.6458 23290.4023 0.0000 0.0000 45086.5789 -222451.1607 164.0126 -267537.7396 -222040.8574 164.0126 -1151.8825 -2255.8572 921491.4634 -1151.8825 -2255.8572
ENERGY: 456 19493.3719 20440.6799 5717.7556 173.4248 -336350.1079 23274.9632 0.0000 0.0000 44811.4726 -222438.4399 163.0118 -267249.9125 -222055.3490 163.0118 -1305.5003 -2245.5823 921491.4634 -1305.5003 -2245.5823
ENERGY: 457 20047.4926 20251.9433 5718.5580 174.9241 -336395.8167 23277.8275 0.0000 0.0000 44521.8704 -222403.2006 161.9583 -266925.0710 -222049.4137 161.9583 -1906.4164 -2263.5013 921491.4634 -1906.4164 -2263.5013
ENERGY: 458 20585.8434 20019.2721 5720.7061 176.6081 -336835.0960 23294.7174 0.0000 0.0000 44632.7886 -222405.1603 162.3618 -267037.9489 -222051.2826 162.3618 -2684.6986 -2301.0427 921491.4634 -2684.6986 -2301.0427
ENERGY: 459 20903.4946 19784.9688 5724.0021 178.1985 -337468.1645 23318.6985 0.0000 0.0000 45113.9364 -222444.8656 164.1121 -267558.8020 -222053.1415 164.1121 -3350.5831 -2341.5796 921491.4634 -3350.5831 -2341.5796
TIMING: 460 CPU: 217.182, 0.459766/step Wall: 217.182, 0.459766/step, 0.00510852 hours remaining, 3224.160156 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 19597.9062 5728.0972 179.4910 -338014.3767 23341.8004 0.0000 0.0000 45423.8562 -222480.6118 165.2395 -267904.4681 -222064.6838 165.2395 -3669.8202 -2365.2411 921491.4634 -3669.8202 -2365.2411
ENERGY: 461 21862.8762 19507.1074 5732.5753 180.4333 -338251.6217 23355.3938 0.0000 0.0000 45154.6135 -222458.6222 164.2601 -267613.2357 -222058.0509 164.2601 -3556.1666 -2361.1798 921491.4634 -3556.1666 -2361.1798
ENERGY: 462 22264.2256 19487.8107 5736.4823 180.9531 -337988.7171 23351.1090 0.0000 0.0000 44559.9288 -222408.2077 162.0968 -266968.1364 -222056.7216 162.0968 -2954.8200 -2323.4250 921491.4634 -2954.8200 -2323.4250
ENERGY: 463 21821.1792 19513.9014 5738.9361 181.1160 -337284.1029 23326.9482 0.0000 0.0000 44313.4566 -222388.5654 161.2002 -266702.0220 -222054.6244 161.2002 -2012.4424 -2264.0777 921491.4634 -2012.4424 -2264.0777
ENERGY: 464 20535.2460 19559.9271 5739.2518 181.0096 -336389.3843 23291.1946 0.0000 0.0000 44654.0262 -222428.7289 162.4391 -267082.7551 -222058.5733 162.4391 -1050.9226 -2205.5268 921491.4634 -1050.9226 -2205.5268
ENERGY: 465 19322.7825 19631.8854 5737.2899 180.7155 -335701.1537 23259.7397 0.0000 0.0000 45094.5684 -222474.1724 164.0416 -267568.7408 -222052.9392 164.0416 -512.3345 -2174.4007 921491.4634 -512.3345 -2174.4007
ENERGY: 466 19088.4508 19708.3582 5733.2107 180.2808 -335443.7730 23245.0610 0.0000 0.0000 45020.7905 -222467.6211 163.7733 -267488.4115 -222052.9790 163.7733 -630.3313 -2182.6710 921491.4634 -630.3313 -2182.6710
ENERGY: 467 19841.8068 19783.1744 5727.6704 179.7757 -335721.0957 23249.4536 0.0000 0.0000 44523.6661 -222415.5487 161.9649 -266939.2148 -222054.3499 161.9649 -1393.6028 -2232.5923 921491.4634 -1393.6028 -2232.5923
ENERGY: 468 20761.8482 19845.4945 5721.5089 179.2779 -336451.5672 23265.8132 0.0000 0.0000 44291.6580 -222385.9664 161.1209 -266677.6244 -222056.3592 161.1209 -2508.6713 -2314.1339 921491.4634 -2508.6713 -2314.1339
ENERGY: 469 21236.3016 19910.2025 5715.6824 178.8504 -337458.3209 23284.3969 0.0000 0.0000 44720.3198 -222412.5674 162.6802 -267132.8872 -222046.0751 162.6802 -3596.7404 -2405.7971 921491.4634 -3596.7404 -2405.7971
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1730 19972.8937 5710.9491 178.5947 -338383.2516 23297.0681 0.0000 0.0000 45346.4572 -222466.1158 164.9579 -267812.5730 -222047.6090 164.9579 -4259.6994 -2477.6830 921491.4634 -4259.6994 -2477.6830
ENERGY: 471 21732.8677 20054.6838 5707.9626 178.5890 -338913.2461 23297.5094 0.0000 0.0000 45471.3365 -222470.2972 165.4122 -267941.6337 -222047.5361 165.4122 -4290.5682 -2504.3174 921491.4634 -4290.5682 -2504.3174
ENERGY: 472 22081.2361 20161.5553 5707.0091 178.9047 -338870.6779 23279.4500 0.0000 0.0000 45028.5295 -222433.9932 163.8014 -267462.5227 -222059.5061 163.8014 -3659.7360 -2479.9183 921491.4634 -3659.7360 -2479.9183
ENERGY: 473 21866.1363 20289.3426 5707.9843 179.6165 -338307.7203 23240.7373 0.0000 0.0000 44634.5172 -222389.3862 162.3681 -267023.9034 -222043.8543 162.3681 -2556.3615 -2408.1656 921491.4634 -2556.3615 -2408.1656
ENERGY: 474 20842.9705 20372.0985 5710.2160 180.7466 -337438.4565 23189.2357 0.0000 0.0000 44733.2306 -222409.9585 162.7272 -267143.1891 -222041.2623 162.7272 -1295.5524 -2316.2727 921491.4634 -1295.5524 -2316.2727
ENERGY: 475 19674.2079 20371.7672 5712.9876 182.2512 -336604.2326 23142.3827 0.0000 0.0000 45070.2141 -222450.4220 163.9531 -267520.6360 -222039.4533 163.9531 -344.6448 -2232.2125 921491.4634 -344.6448 -2232.2125
ENERGY: 476 19235.7861 20282.0272 5715.7683 184.0125 -336100.0914 23115.8476 0.0000 0.0000 45106.0636 -222460.5861 164.0835 -267566.6497 -222053.6138 164.0835 -92.4047 -2183.0650 921491.4634 -92.4047 -2183.0650
ENERGY: 477 19704.7251 20145.9810 5718.4976 185.9230 -336101.8800 23114.2948 0.0000 0.0000 44812.3210 -222420.1374 163.0149 -267232.4585 -222044.8411 163.0149 -667.4944 -2171.8226 921491.4634 -667.4944 -2171.8226
ENERGY: 478 20493.4778 19974.7636 5721.0254 187.7262 -336537.4048 23131.2469 0.0000 0.0000 44627.0335 -222402.1314 162.3409 -267029.1649 -222047.4107 162.3409 -1807.1602 -2198.7954 921491.4634 -1807.1602 -2198.7954
ENERGY: 479 21125.3059 19793.3954 5723.3295 189.2099 -337215.5850 23156.6780 0.0000 0.0000 44802.1581 -222425.5082 162.9779 -267227.6663 -222050.5460 162.9779 -3089.8514 -2246.7916 921491.4634 -3089.8514 -2246.7916
TIMING: 480 CPU: 226.377, 0.459765/step Wall: 226.377, 0.459765/step, 0.00255425 hours remaining, 3224.160156 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 21624.0326 19623.1963 5725.3111 190.1901 -337854.6801 23181.5126 0.0000 0.0000 45051.6820 -222458.7554 163.8856 -267510.4374 -222064.6214 163.8856 -4077.7326 -2291.4891 921491.4634 -4077.7326 -2291.4891
ENERGY: 481 22092.4853 19510.0432 5727.0952 190.6351 -338199.2496 23196.7966 0.0000 0.0000 45041.3374 -222440.8567 163.8480 -267482.1941 -222052.5270 163.8480 -4466.2394 -2305.6733 921491.4634 -4466.2394 -2305.6733
ENERGY: 482 22186.3469 19466.6794 5728.4963 190.3598 -338044.5434 23192.7481 0.0000 0.0000 44865.8525 -222414.0604 163.2096 -267279.9130 -222051.4117 163.2096 -4059.3098 -2278.0615 921491.4634 -4059.3098 -2278.0615
ENERGY: 483 21553.1416 19511.5746 5729.5660 189.3227 -337426.2202 23165.8746 0.0000 0.0000 44861.8974 -222414.8434 163.1953 -267276.7408 -222048.7676 163.1953 -2964.1723 -2216.4116 921491.4634 -2964.1723 -2216.4116
ENERGY: 484 20460.8928 19631.1940 5730.2465 187.5455 -336590.8903 23126.1357 0.0000 0.0000 45003.6037 -222451.2722 163.7107 -267454.8758 -222059.8747 163.7107 -1565.2426 -2143.1851 921491.4634 -1565.2426 -2143.1851
ENERGY: 485 19688.7722 19800.2993 5730.5256 185.2458 -335902.5885 23092.8476 0.0000 0.0000 44955.5730 -222449.3250 163.5360 -267404.8980 -222045.9610 163.5360 -422.1571 -2086.8737 921491.4634 -422.1571 -2086.8737
ENERGY: 486 19602.5429 19954.8179 5729.7197 182.4662 -335612.3585 23080.3812 0.0000 0.0000 44645.9120 -222416.5186 162.4096 -267062.4306 -222044.6765 162.4096 87.3179 -2070.0983 921491.4634 87.3179 -2070.0983
ENERGY: 487 19881.0928 20072.0216 5727.4347 179.4360 -335846.4498 23091.0549 0.0000 0.0000 44503.3495 -222392.0604 161.8910 -266895.4098 -222045.2411 161.8910 -192.2348 -2106.8841 921491.4634 -192.2348 -2106.8841
ENERGY: 488 20125.2100 20156.1364 5723.5441 176.4338 -336552.5461 23118.8621 0.0000 0.0000 44827.0557 -222425.3040 163.0685 -267252.3597 -222057.1938 163.0685 -1145.7531 -2194.6677 921491.4634 -1145.7531 -2194.6677
ENERGY: 489 20526.8870 20236.4611 5718.5748 173.8639 -337540.4662 23156.7315 0.0000 0.0000 45266.1005 -222461.8473 164.6656 -267727.9478 -222045.6086 164.6656 -2511.2402 -2316.7064 921491.4634 -2511.2402 -2316.7064
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7487 20292.9023 5712.8912 171.8438 -338458.1365 23196.4882 0.0000 0.0000 45213.5630 -222459.6993 164.4745 -267673.2623 -222048.2208 164.4745 -3823.4035 -2437.4152 921491.4634 -3823.4035 -2437.4152
ENERGY: 491 22430.4638 20312.1361 5707.3795 170.5404 -338984.5796 23226.0942 0.0000 0.0000 44733.0089 -222404.9568 162.7264 -267137.9657 -222049.4638 162.7264 -4629.6931 -2524.6212 921491.4634 -4629.6931 -2524.6212
ENERGY: 492 22612.9547 20289.6810 5702.9944 170.0207 -338937.5820 23232.7210 0.0000 0.0000 44542.1949 -222387.0153 162.0323 -266929.2101 -222060.3862 162.0323 -4606.8523 -2557.4729 921491.4634 -4606.8523 -2557.4729
ENERGY: 493 21558.2188 20260.7373 5700.7779 170.3200 -338358.0637 23214.0541 0.0000 0.0000 45033.8228 -222420.1328 163.8207 -267453.9555 -222046.5903 163.8207 -3796.3818 -2540.0996 921491.4634 -3796.3818 -2540.0996
ENERGY: 494 20068.3366 20225.0260 5700.9805 171.2193 -337454.3839 23183.0800 0.0000 0.0000 45622.2474 -222483.4941 165.9612 -268105.7416 -222044.0869 165.9612 -2500.8992 -2482.1068 921491.4634 -2500.8992 -2482.1068
ENERGY: 495 19383.2462 20186.8300 5703.5926 172.5416 -336566.9892 23159.4630 0.0000 0.0000 45484.1230 -222477.1927 165.4587 -267961.3158 -222041.5565 165.4587 -1249.6838 -2407.3056 921491.4634 -1249.6838 -2407.3056
ENERGY: 496 19722.4835 20130.6472 5708.0350 174.0933 -335998.7162 23154.2641 0.0000 0.0000 44699.5269 -222409.6662 162.6046 -267109.1931 -222049.0673 162.6046 -478.8998 -2343.4751 921491.4634 -478.8998 -2343.4751
ENERGY: 497 20212.6670 20059.9176 5713.4613 175.7242 -335952.5050 23166.3551 0.0000 0.0000 44261.0286 -222363.3513 161.0095 -266624.3799 -222042.7503 161.0095 -421.0233 -2316.7928 921491.4634 -421.0233 -2316.7928
ENERGY: 498 20182.0166 19957.1215 5718.5596 177.2604 -336366.4942 23189.3591 0.0000 0.0000 44728.2534 -222413.9236 162.7091 -267142.1770 -222044.5222 162.7091 -993.4680 -2331.6473 921491.4634 -993.4680 -2331.6473
ENERGY: 499 20158.0678 19847.7308 5722.4089 178.6361 -337058.4834 23219.2409 0.0000 0.0000 45439.2646 -222493.1342 165.2956 -267932.3988 -222047.2065 165.2956 -2020.8687 -2376.3391 921491.4634 -2020.8687 -2376.3391
Info: Benchmark time: 4 CPUs 0.458896 s/step 5.3113 days/ns 3224.16 MB memory
TIMING: 500 CPU: 235.493, 0.455806/step Wall: 235.493, 0.455806/step, 0 hours remaining, 3224.160156 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8936 19756.6583 5724.4523 179.8271 -337741.4201 23251.1014 0.0000 0.0000 45359.0781 -222495.4092 165.0039 -267854.4874 -222061.0910 165.0039 -3197.5166 -2425.4141 921491.4634 -3197.5166 -2425.4141
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3228.883 MB of memory in use
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3228.883 MB of memory in use
====================================================
WallClock: 242.315994 CPUTime: 242.315979 Memory: 3228.882812 MB
[Partition 0][Node 0] End of program
Application 1110233 resources: utime ~952s, stime ~19s, Rss ~126436, inblocks ~66548, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=242.315994
CPU=242.315979
MEM=3228.882812
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 15 13:45 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 15 13:45 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 15 13:45 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 15 13:43 status
-rwxr-xr-x 1 bwjenkins BW_System 189479 Dec 15 13:43 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 15 10:45 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 15 10:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 15 10:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 15 10:22 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 15 10:22 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 15 10:22 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 15 10:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 15 10:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 15 10:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 15 10:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 15 10:21 retest
drwxr-xr-x 12 bwjenkins BW_System 4096 Sep 8 2010 tcl8.5.9
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins18133325904977389447.sh
+ rm -rf /var/lib/jenkins/jobs/NAMD/workspace/cputime /var/lib/jenkins/jobs/NAMD/workspace/memory /var/lib/jenkins/jobs/NAMD/workspace/namd /var/lib/jenkins/jobs/NAMD/workspace/wallclock
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD/workspace
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD/workspace
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD/workspace/memory
Finished: SUCCESS
![[Jenkins]](/static/755cd4af/images/svgs/logo.svg){kind=logo}
