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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 ============== 54.9025
LDB: Largest compute 200 load 0.431848 is 1.2% of average load 36.855677
LDB: Average compute 0.051625 is 0.1% of average load 36.855677
LDB: Partitioning computes with target load 3.685568
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055848
LDB: ============== END OF LOAD BALANCING =============== 54.9046
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.9055
Info: Initial time: 4 CPUs 0.476391 s/step 5.51379 days/ns 3221.41 MB memory
TIMING: 100 CPU: 48.6111, 0.475475/step Wall: 48.6111, 0.475475/step, 0.0528306 hours remaining, 3221.410156 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 ============== 64.3939
LDB: ============== END OF LOAD BALANCING =============== 64.3939
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.3944
TIMING: 120 CPU: 58.0974, 0.474317/step Wall: 58.0974, 0.474317/step, 0.0500668 hours remaining, 3221.679688 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 140 CPU: 67.582, 0.474228/step Wall: 67.582, 0.474228/step, 0.0474228 hours remaining, 3221.828125 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 160 CPU: 77.0535, 0.473579/step Wall: 77.0535, 0.473579/step, 0.0447269 hours remaining, 3222.117188 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: 86.5122, 0.472932/step Wall: 86.5122, 0.472932/step, 0.0420384 hours remaining, 3222.117188 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 -332240.0936 21043.7459 0.0000 0.0000 44391.5887 -222435.3690 161.4844 -266826.9577 -222129.2886 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2967 19471.4304 5678.7398 184.6336 -333156.1125 21076.9265 0.0000 0.0000 42449.0056 -222222.0800 154.4178 -264671.0855 -222130.9078 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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LDB: ============= START OF LOAD BALANCING ============== 102.269
LDB: Largest compute 200 load 0.426977 is 1.2% of average load 36.673328
LDB: Average compute 0.051365 is 0.1% of average load 36.673328
LDB: TIME 102.271 LOAD: AVG 36.6733 MAX 37.8744 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.46 MB
LDB: TIME 102.273 LOAD: AVG 36.6733 MAX 37.6383 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.46 MB
LDB: ============== END OF LOAD BALANCING =============== 102.275
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 102.278
Info: Initial time: 4 CPUs 0.473548 s/step 5.48088 days/ns 3223.6 MB memory
TIMING: 200 CPU: 95.9757, 0.473176/step Wall: 95.9757, 0.473176/step, 0.0394313 hours remaining, 3223.597656 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: 208 20293.2702 20371.8904 5718.1572 182.8654 -334789.2380 21322.2410 0.0000 0.0000 44428.6269 -222472.1868 161.6191 -266900.8138 -222122.6317 161.6191 -3669.0642 -2719.7953 921491.4634 -3669.0642 -2719.7953
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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 20150.2162 19524.5249 5720.1722 175.9508 -334874.6446 21380.5553 0.0000 0.0000 45418.7807 -222504.4446 165.2210 -267923.2252 -222097.3834 165.2210 -2174.3118 -2725.0840 921491.4634 -2174.3118 -2725.0840
ENERGY: 214 17315.5530 19421.7449 5733.3059 176.6827 -333645.3938 21358.4486 0.0000 0.0000 46958.4703 -222681.1884 170.8220 -269639.6587 -222093.7406 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5055 19441.9745 5746.5772 178.1492 -332787.3324 21379.5597 0.0000 0.0000 45302.6747 -222527.8915 164.7987 -267830.5662 -222091.0446 164.7987 784.0015 -2554.0367 921491.4634 784.0015 -2554.0367
ENERGY: 216 20973.4717 19522.5063 5756.9571 180.1770 -332560.1063 21436.4837 0.0000 0.0000 42442.1788 -222248.3318 154.3930 -264690.5106 -222073.6156 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3867 19581.4821 5762.2416 182.5517 -333010.6759 21497.2707 0.0000 0.0000 41983.6750 -222225.0683 152.7251 -264208.7432 -222064.4464 152.7251 -882.1697 -2598.7243 921491.4634 -882.1697 -2598.7243
ENERGY: 218 20165.9156 19540.0891 5761.2415 184.9927 -333856.1148 21546.6562 0.0000 0.0000 44178.6836 -222478.5361 160.7099 -266657.2197 -222068.8155 160.7099 -2628.0651 -2703.9746 921491.4634 -2628.0651 -2703.9746
ENERGY: 219 19429.8639 19413.3931 5754.3577 187.2447 -334778.0709 21596.8809 0.0000 0.0000 45751.9298 -222644.4007 166.4329 -268396.3306 -222073.1720 166.4329 -4457.7331 -2810.5236 921491.4634 -4457.7331 -2810.5236
TIMING: 220 CPU: 105.423, 0.472341/step Wall: 105.423, 0.472341/step, 0.0367376 hours remaining, 3223.597656 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: 114.862, 0.471984/step Wall: 114.862, 0.471984/step, 0.0340877 hours remaining, 3223.597656 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 242 22110.7717 20111.8209 5758.5348 169.0441 -335904.8197 21831.0568 0.0000 0.0000 43526.8722 -222396.7193 158.3388 -265923.5915 -222063.5734 158.3388 -4623.1690 -2633.0913 921491.4634 -4623.1690 -2633.0913
ENERGY: 243 19462.3621 19969.6446 5749.3614 168.8705 -335233.7069 21770.4749 0.0000 0.0000 45537.0691 -222575.9244 165.6513 -268112.9935 -222061.6672 165.6513 -3760.4506 -2614.6992 921491.4634 -3760.4506 -2614.6992
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ENERGY: 246 20878.5480 19853.7026 5716.8932 174.1558 -334213.1208 21705.0851 0.0000 0.0000 43600.4183 -222284.3178 158.6063 -265884.7360 -222067.4295 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5285 19979.6442 5712.7400 177.5412 -334802.1844 21719.8455 0.0000 0.0000 44912.1913 -222431.6937 163.3782 -267343.8850 -222068.1394 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4923 20164.4297 5713.8450 181.3144 -335623.1355 21746.4312 0.0000 0.0000 46185.9364 -222595.6865 168.0117 -268781.6228 -222090.3127 168.0117 -1359.1245 -2608.3065 921491.4634 -1359.1245 -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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ENERGY: 252 21994.9042 20013.1599 5733.2541 193.8023 -336093.2677 21826.9297 0.0000 0.0000 43905.3720 -222425.8455 159.7157 -266331.2175 -222091.3304 159.7157 -3843.4682 -2758.0338 921491.4634 -3843.4682 -2758.0338
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ENERGY: 255 20324.2311 19109.4102 5707.6062 196.0620 -333099.9231 21746.1516 0.0000 0.0000 43667.4210 -222349.0409 158.8501 -266016.4619 -222078.3974 158.8501 -2282.5424 -2662.7814 921491.4634 -2282.5424 -2662.7814
ENERGY: 256 20899.4409 18950.9578 5693.4518 195.6570 -332975.5971 21757.6849 0.0000 0.0000 43181.1611 -222297.2438 157.0812 -265478.4049 -222071.2739 157.0812 -2042.2408 -2664.5199 921491.4634 -2042.2408 -2664.5199
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ENERGY: 258 19453.5865 18882.0665 5673.2911 193.6684 -334373.1544 21817.5079 0.0000 0.0000 45796.2578 -222556.7762 166.5942 -268353.0341 -222062.0608 166.5942 -2331.2327 -2737.1920 921491.4634 -2331.2327 -2737.1920
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TIMING: 260 CPU: 124.29, 0.471416/step Wall: 124.29, 0.471416/step, 0.0314277 hours remaining, 3223.906250 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 263 19781.1228 20140.5623 5703.8103 187.9445 -335614.9715 21924.4741 0.0000 0.0000 45349.7772 -222527.2803 164.9700 -267877.0575 -222051.1546 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2260 20436.4307 5710.6950 187.5052 -334855.9513 21907.7773 0.0000 0.0000 44751.4784 -222476.8387 162.7936 -267228.3171 -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 43607.6374 -222352.1119 158.6326 -265959.7493 -222054.3370 158.6326 -2038.0572 -2683.6034 921491.4634 -2038.0572 -2683.6034
ENERGY: 266 20048.7898 20788.8702 5712.1327 187.6137 -334399.4579 21914.4806 0.0000 0.0000 43399.3798 -222348.1911 157.8750 -265747.5709 -222054.3633 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0904 20691.2679 5707.0583 187.8501 -334831.4857 21930.8375 0.0000 0.0000 44220.2171 -222446.1644 160.8610 -266666.3815 -222055.6583 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9159 20375.7516 5700.1930 187.9286 -335513.7452 21959.1258 0.0000 0.0000 44823.5379 -222504.2923 163.0557 -267327.8302 -222075.9874 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 19450.9168 5690.3173 187.1618 -336650.6776 22028.8071 0.0000 0.0000 44308.0075 -222365.2737 161.1804 -266673.2813 -222067.0433 161.1804 -3583.3634 -2617.7582 921491.4634 -3583.3634 -2617.7582
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ENERGY: 272 21021.5584 18896.0662 5692.8269 184.9335 -335921.4617 22015.0581 0.0000 0.0000 45607.7076 -222503.3111 165.9083 -268111.0187 -222081.1572 165.9083 -2551.9684 -2501.8804 921491.4634 -2551.9684 -2501.8804
ENERGY: 273 20123.2136 18932.9081 5697.5118 183.8526 -334925.7014 21985.5297 0.0000 0.0000 45502.7161 -222499.9696 165.5264 -268002.6857 -222069.0459 165.5264 -1837.1975 -2434.6759 921491.4634 -1837.1975 -2434.6759
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ENERGY: 276 19401.8500 19594.7507 5701.2547 182.4904 -333292.1279 21971.0411 0.0000 0.0000 44028.5272 -222412.2139 160.1637 -266440.7411 -222072.9394 160.1637 -1580.1298 -2417.6039 921491.4634 -1580.1298 -2417.6039
ENERGY: 277 19149.2970 19724.7158 5695.5210 182.9396 -333864.3452 21997.2388 0.0000 0.0000 44632.8112 -222481.8217 162.3619 -267114.6329 -222061.0987 162.3619 -2311.7543 -2498.0544 921491.4634 -2311.7543 -2498.0544
ENERGY: 278 20199.4575 19713.7759 5686.9122 183.6585 -334821.1002 22041.3360 0.0000 0.0000 44532.2540 -222463.7061 161.9961 -266995.9601 -222063.4130 161.9961 -3254.8156 -2593.7696 921491.4634 -3254.8156 -2593.7696
ENERGY: 279 21984.3649 19593.9430 5677.5176 184.5187 -335888.5800 22096.4200 0.0000 0.0000 43975.0879 -222376.7279 159.9693 -266351.8158 -222065.2023 159.9693 -4044.3213 -2682.8388 921491.4634 -4044.3213 -2682.8388
TIMING: 280 CPU: 133.718, 0.471353/step Wall: 133.718, 0.471353/step, 0.0288049 hours remaining, 3223.906250 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 280 22859.3231 19458.4367 5670.0026 185.3899 -336752.6635 22145.1356 0.0000 0.0000 44066.7337 -222367.6420 160.3027 -266434.3757 -222073.4248 160.3027 -4286.3894 -2748.0546 921491.4634 -4286.3894 -2748.0546
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ENERGY: 282 20943.7898 19615.5381 5669.9796 186.8360 -336942.5039 22176.7656 0.0000 0.0000 45823.3369 -222526.2578 166.6927 -268349.5948 -222063.3317 166.6927 -2992.3272 -2779.3668 921491.4634 -2992.3272 -2779.3668
ENERGY: 283 20432.1061 19966.6617 5678.8137 187.1634 -336251.9206 22171.0650 0.0000 0.0000 45328.8519 -222487.2588 164.8939 -267816.1107 -222060.8460 164.8939 -2008.7736 -2748.2306 921491.4634 -2008.7736 -2748.2306
ENERGY: 284 20506.3999 20401.8824 5692.0830 187.1346 -335412.6301 22166.2911 0.0000 0.0000 44071.4479 -222387.3912 160.3198 -266458.8391 -222061.5537 160.3198 -1267.2790 -2712.3901 921491.4634 -1267.2790 -2712.3901
ENERGY: 285 20203.3287 20789.9631 5707.3565 186.7145 -334827.1966 22167.0168 0.0000 0.0000 43418.2629 -222354.5542 157.9437 -265772.8172 -222053.5964 157.9437 -1010.8436 -2700.0819 921491.4634 -1010.8436 -2700.0819
ENERGY: 286 19396.6307 20966.5624 5721.5031 185.8229 -334658.1148 22176.6865 0.0000 0.0000 43785.6881 -222425.2210 159.2803 -266210.9091 -222054.0580 159.2803 -1306.7500 -2717.2846 921491.4634 -1306.7500 -2717.2846
ENERGY: 287 19176.1188 20856.7825 5731.9346 184.4714 -334918.1479 22200.2912 0.0000 0.0000 44282.9438 -222485.6057 161.0892 -266768.5494 -222055.7251 161.0892 -2148.9611 -2753.3343 921491.4634 -2148.9611 -2753.3343
ENERGY: 288 20263.2087 20475.2853 5736.9557 182.7335 -335468.3151 22237.9040 0.0000 0.0000 44116.9903 -222455.2377 160.4855 -266572.2280 -222066.9054 160.4855 -3310.5879 -2790.1554 921491.4634 -3310.5879 -2790.1554
ENERGY: 289 21886.4834 19928.6980 5736.1905 180.7560 -336126.9125 22279.0692 0.0000 0.0000 43733.4511 -222382.2643 159.0903 -266115.7154 -222062.2726 159.0903 -4368.9815 -2809.8750 921491.4634 -4368.9815 -2809.8750
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 19325.5267 5730.3279 178.6973 -336571.4577 22308.2177 0.0000 0.0000 44027.4233 -222385.2804 160.1597 -266412.7037 -222063.4685 160.1597 -4815.3288 -2796.0390 921491.4634 -4815.3288 -2796.0390
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LDB: ============= START OF LOAD BALANCING ============== 149.453
LDB: Largest compute 200 load 0.519011 is 1.1% of average load 45.787230
LDB: Average compute 0.064130 is 0.1% of average load 45.787230
LDB: TIME 149.455 LOAD: AVG 45.7872 MAX 47.1754 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.26 MB
LDB: TIME 149.456 LOAD: AVG 45.7872 MAX 47.1754 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.26 MB
LDB: TIME 149.472 LOAD: AVG 45.7872 MAX 46.2967 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.26 MB
LDB: ============== END OF LOAD BALANCING =============== 149.473
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 149.475
Info: Initial time: 4 CPUs 0.471425 s/step 5.45631 days/ns 3224.26 MB memory
TIMING: 300 CPU: 143.14, 0.471111/step Wall: 143.14, 0.471111/step, 0.0261729 hours remaining, 3224.257812 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: 152.367, 0.461371/step Wall: 152.367, 0.461371/step, 0.0230686 hours remaining, 3224.257812 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 22179.0069 20957.0459 5696.1855 180.4970 -337965.9635 22565.0704 0.0000 0.0000 43989.5239 -222398.6339 160.0218 -266388.1578 -222063.6578 160.0218 -4596.8831 -2640.5013 921491.4634 -4596.8831 -2640.5013
ENERGY: 323 21976.7006 21085.8082 5695.4506 181.8003 -337194.0750 22550.8104 0.0000 0.0000 43361.4901 -222342.0147 157.7372 -265703.5049 -222061.4467 157.7372 -3808.3607 -2616.6944 921491.4634 -3808.3607 -2616.6944
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ENERGY: 325 19096.1752 20584.7379 5683.7432 184.8442 -335297.0514 22494.0545 0.0000 0.0000 44763.3953 -222490.1011 162.8369 -267253.4964 -222060.9513 162.8369 -1264.0244 -2529.6545 921491.4634 -1264.0244 -2529.6545
ENERGY: 326 18959.6359 20052.8005 5675.9627 186.2078 -334820.0105 22490.4170 0.0000 0.0000 44971.8223 -222483.1643 163.5951 -267454.9866 -222059.6109 163.5951 -572.2140 -2503.0558 921491.4634 -572.2140 -2503.0558
ENERGY: 327 20020.7818 19506.2794 5669.7116 187.2139 -334851.2530 22513.0147 0.0000 0.0000 44550.7426 -222403.5090 162.0634 -266954.2516 -222059.8761 162.0634 -657.4989 -2506.5013 921491.4634 -657.4989 -2506.5013
ENERGY: 328 20934.1977 19092.0091 5666.7484 187.7399 -335303.4709 22549.7454 0.0000 0.0000 44493.2356 -222379.7948 161.8542 -266873.0304 -222061.7259 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: 336 19127.9131 19639.0995 5698.6022 180.2744 -334271.7860 22519.7000 0.0000 0.0000 44649.6652 -222456.5316 162.4232 -267106.1968 -222055.6202 162.4232 -1093.5004 -2488.8702 921491.4634 -1093.5004 -2488.8702
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ENERGY: 338 21007.5744 19722.4645 5687.5590 179.5437 -335808.8624 22564.1946 0.0000 0.0000 44285.9173 -222361.6089 161.1000 -266647.5262 -222041.5959 161.1000 -1500.9497 -2462.8576 921491.4634 -1500.9497 -2462.8576
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TIMING: 340 CPU: 161.588, 0.461024/step Wall: 161.588, 0.461024/step, 0.0204899 hours remaining, 3224.257812 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: 344 19898.5080 20447.2069 5699.9573 182.0106 -336095.2680 22596.5930 0.0000 0.0000 44790.9363 -222480.0560 162.9371 -267270.9923 -222071.3579 162.9371 -2338.1160 -2329.7492 921491.4634 -2338.1160 -2329.7492
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ENERGY: 348 21062.2470 19315.9902 5689.3479 182.7918 -335425.6670 22604.2202 0.0000 0.0000 44195.9877 -222375.0822 160.7729 -266571.0699 -222064.0950 160.7729 -1766.2766 -2218.9158 921491.4634 -1766.2766 -2218.9158
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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: 350 21009.3451 19066.8674 5675.7227 182.5405 -336836.8361 22661.9756 0.0000 0.0000 45710.0740 -222530.3109 166.2807 -268240.3848 -222058.0879 166.2807 -2896.5510 -2326.8868 921491.4634 -2896.5510 -2326.8868
ENERGY: 351 22235.3180 19085.8714 5672.3993 182.3761 -337072.3455 22693.2958 0.0000 0.0000 44770.4141 -222432.6707 162.8625 -267203.0847 -222058.6358 162.8625 -3254.0188 -2369.0508 921491.4634 -3254.0188 -2369.0508
ENERGY: 352 22912.9250 19180.1282 5672.7329 182.2243 -336794.7866 22708.6921 0.0000 0.0000 43795.3996 -222342.6843 159.3156 -266138.0840 -222059.3899 159.3156 -3190.0139 -2394.0290 921491.4634 -3190.0139 -2394.0290
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ENERGY: 354 19814.0382 19544.5094 5682.7360 181.9868 -335375.1832 22676.8667 0.0000 0.0000 44983.0761 -222491.9701 163.6361 -267475.0461 -222046.2244 163.6361 -2040.9899 -2415.4742 921491.4634 -2040.9899 -2415.4742
ENERGY: 355 18879.8416 19773.7512 5689.2466 181.9196 -334823.9965 22664.4421 0.0000 0.0000 45120.2682 -222514.5272 164.1351 -267634.7954 -222044.8384 164.1351 -1600.3169 -2424.6827 921491.4634 -1600.3169 -2424.6827
ENERGY: 356 19622.4368 20015.8113 5694.4280 181.9402 -334758.7698 22674.4080 0.0000 0.0000 44153.0889 -222416.6566 160.6168 -266569.7454 -222053.0962 160.6168 -1622.0262 -2446.8266 921491.4634 -1622.0262 -2446.8266
ENERGY: 357 20687.2710 20255.1059 5697.1707 182.0215 -335288.0652 22700.2949 0.0000 0.0000 43438.0180 -222328.1831 158.0156 -265766.2011 -222042.2330 158.0156 -2061.3605 -2486.6663 921491.4634 -2061.3605 -2486.6663
ENERGY: 358 20785.4065 20424.8433 5696.9833 182.1295 -336225.9485 22730.2419 0.0000 0.0000 44019.5824 -222386.7616 160.1311 -266406.3440 -222043.9945 160.1311 -2636.8580 -2541.3593 921491.4634 -2636.8580 -2541.3593
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TIMING: 360 CPU: 170.804, 0.46082/step Wall: 170.804, 0.46082/step, 0.0179208 hours remaining, 3224.257812 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: 378 20473.8098 20495.6597 5711.4639 183.2952 -336584.2289 22821.5836 0.0000 0.0000 44474.7544 -222423.6622 161.7869 -266898.4167 -222044.3969 161.7869 -2972.9872 -2523.3499 921491.4634 -2972.9872 -2523.3499
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TIMING: 380 CPU: 180.013, 0.460456/step Wall: 180.013, 0.460456/step, 0.0153485 hours remaining, 3224.257812 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 384 19625.4113 19596.0352 5710.5349 179.0647 -336052.0486 22884.2532 0.0000 0.0000 45539.1836 -222517.5657 165.6590 -268056.7493 -222062.0924 165.6590 -569.2379 -2166.9357 921491.4634 -569.2379 -2166.9357
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ENERGY: 387 20367.2859 19202.4842 5710.9354 174.6759 -335109.8722 22905.2742 0.0000 0.0000 44377.1817 -222372.0348 161.4320 -266749.2165 -222053.0049 161.4320 -738.9582 -2019.1688 921491.4634 -738.9582 -2019.1688
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 398 19692.8113 20133.3595 5716.9814 176.0456 -336812.3381 23014.0588 0.0000 0.0000 45592.7320 -222486.3495 165.8538 -268079.0815 -222045.7221 165.8538 -1710.2233 -2443.6963 921491.4634 -1710.2233 -2443.6963
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LDB: ============= START OF LOAD BALANCING ============== 195.561
LDB: Largest compute 230 load 0.523864 is 1.1% of average load 45.748802
LDB: Average compute 0.064069 is 0.1% of average load 45.748802
LDB: TIME 195.563 LOAD: AVG 45.7488 MAX 46.0864 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.26 MB
LDB: TIME 195.563 LOAD: AVG 45.7488 MAX 46.0864 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.26 MB
LDB: TIME 195.563 LOAD: AVG 45.7488 MAX 46.0864 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.26 MB
LDB: ============== END OF LOAD BALANCING =============== 195.564
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 195.565
Info: Benchmark time: 4 CPUs 0.4608 s/step 5.33333 days/ns 3224.26 MB memory
TIMING: 400 CPU: 189.224, 0.460532/step Wall: 189.224, 0.460532/step, 0.0127926 hours remaining, 3224.257812 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: 416 19942.3168 20661.9900 5710.0857 195.6953 -336157.5867 23063.1712 0.0000 0.0000 44200.2853 -222384.0423 160.7885 -266584.3276 -222052.9646 160.7885 -282.7613 -2224.6898 921491.4634 -282.7613 -2224.6898
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ENERGY: 418 20154.6646 20457.0911 5705.5847 188.6536 -336970.7869 23098.6722 0.0000 0.0000 44915.1426 -222450.9781 163.3889 -267366.1207 -222046.7095 163.3889 -671.8545 -2269.9922 921491.4634 -671.8545 -2269.9922
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TIMING: 420 CPU: 198.413, 0.45944/step Wall: 198.413, 0.45944/step, 0.0102098 hours remaining, 3224.257812 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 -336199.9847 23087.7670 0.0000 0.0000 44884.2597 -222448.1297 163.2766 -267332.3894 -222058.0550 163.2766 -935.5731 -2206.9585 921491.4634 -935.5731 -2206.9585
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9874 20024.3741 5712.1700 168.1897 -338096.9203 23149.4486 0.0000 0.0000 44626.3099 -222402.4407 162.3383 -267028.7506 -222047.3915 162.3383 -2472.2458 -2268.0466 921491.4634 -2472.2458 -2268.0466
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ENERGY: 432 21768.3705 20188.6729 5710.3547 168.1086 -338651.2104 23176.0839 0.0000 0.0000 45177.9910 -222461.6289 164.3451 -267639.6199 -222065.9062 164.3451 -3350.2746 -2296.1499 921491.4634 -3350.2746 -2296.1499
ENERGY: 433 21200.9073 20275.9668 5710.3763 168.4633 -338164.0639 23162.2904 0.0000 0.0000 45192.9284 -222453.1315 164.3995 -267646.0599 -222052.5986 164.3995 -3187.3737 -2272.1278 921491.4634 -3187.3737 -2272.1278
ENERGY: 434 20730.3412 20338.1503 5711.6061 169.3247 -337394.2703 23140.7729 0.0000 0.0000 44883.0997 -222420.9755 163.2724 -267304.0752 -222051.1466 163.2724 -2694.3110 -2227.7887 921491.4634 -2694.3110 -2227.7887
ENERGY: 435 20235.2199 20362.4018 5714.0003 170.8455 -336680.6551 23123.4091 0.0000 0.0000 44675.9838 -222398.7948 162.5190 -267074.7786 -222049.5892 162.5190 -2061.3583 -2179.8953 921491.4634 -2061.3583 -2179.8953
ENERGY: 436 19670.9239 20349.9983 5717.2345 173.0864 -336303.8803 23119.9071 0.0000 0.0000 44847.0983 -222425.6318 163.1414 -267272.7300 -222059.6960 163.1414 -1520.6596 -2145.1617 921491.4634 -1520.6596 -2145.1617
ENERGY: 437 19434.5512 20329.5093 5720.9893 175.9827 -336411.9775 23136.3861 0.0000 0.0000 45159.2687 -222455.2902 164.2770 -267614.5589 -222050.7504 164.2770 -1319.1166 -2134.4848 921491.4634 -1319.1166 -2134.4848
ENERGY: 438 19935.1529 20278.6095 5724.6884 179.3848 -336899.4566 23173.5513 0.0000 0.0000 45148.1323 -222459.9375 164.2365 -267608.0697 -222051.5669 164.2365 -1493.0939 -2145.0881 921491.4634 -1493.0939 -2145.0881
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TIMING: 440 CPU: 207.586, 0.45868/step Wall: 207.586, 0.45868/step, 0.00764467 hours remaining, 3224.257812 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 20036.2369 5729.7527 186.7201 -338123.1800 23276.2481 0.0000 0.0000 44417.5457 -222405.1081 161.5788 -266822.6538 -222059.4775 161.5788 -2408.4614 -2197.9672 921491.4634 -2408.4614 -2197.9672
ENERGY: 441 22355.5487 19860.0406 5730.3488 190.1145 -338361.1710 23313.2040 0.0000 0.0000 44502.6964 -222409.2180 161.8886 -266911.9144 -222050.0861 161.8886 -2716.1030 -2221.5314 921491.4634 -2716.1030 -2221.5314
ENERGY: 442 21853.6118 19664.5346 5729.4854 192.9411 -338090.1528 23327.1563 0.0000 0.0000 44880.6321 -222441.7915 163.2634 -267322.4236 -222049.7757 163.2634 -2710.5579 -2229.0696 921491.4634 -2710.5579 -2229.0696
ENERGY: 443 21064.3315 19487.0719 5727.6164 194.9329 -337369.3145 23320.0154 0.0000 0.0000 45118.1108 -222457.2356 164.1273 -267575.3464 -222048.5997 164.1273 -2448.1651 -2220.3531 921491.4634 -2448.1651 -2220.3531
ENERGY: 444 20449.3363 19357.2686 5725.4095 195.8735 -336464.1919 23301.5272 0.0000 0.0000 44987.7177 -222447.0590 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 -335759.3911 23283.8135 0.0000 0.0000 44708.7155 -222414.7043 162.6380 -267123.4199 -222046.5430 162.6380 -1846.9627 -2201.6926 921491.4634 -1846.9627 -2201.6926
ENERGY: 446 19947.6803 19324.9004 5722.5430 194.3235 -335494.5706 23276.0447 0.0000 0.0000 44620.2947 -222408.7841 162.3164 -267029.0788 -222046.1622 162.3164 -1800.7517 -2216.7295 921491.4634 -1800.7517 -2216.7295
ENERGY: 447 19914.2845 19416.0210 5722.2107 191.8641 -335769.4400 23282.7454 0.0000 0.0000 44816.5091 -222425.8052 163.0301 -267242.3143 -222046.8345 163.0301 -1993.3111 -2253.0604 921491.4634 -1993.3111 -2253.0604
ENERGY: 448 20187.5919 19583.6801 5722.5764 188.5554 -336503.1805 23303.8901 0.0000 0.0000 45065.6678 -222451.2188 163.9365 -267516.8865 -222059.3483 163.9365 -2372.1878 -2303.7900 921491.4634 -2372.1878 -2303.7900
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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 21754.4855 20108.1303 5724.4776 181.0897 -338419.3260 23364.6241 0.0000 0.0000 44854.3099 -222432.2089 163.1677 -267286.5187 -222048.7863 163.1677 -3116.6759 -2394.3898 921491.4634 -3116.6759 -2394.3898
ENERGY: 451 22355.5904 20357.7259 5724.7144 177.6517 -338952.0921 23381.8005 0.0000 0.0000 44542.6990 -222411.9103 162.0341 -266954.6092 -222048.8248 162.0341 -3074.2536 -2405.7799 921491.4634 -3074.2536 -2405.7799
ENERGY: 452 22246.2015 20536.0138 5723.8953 174.8859 -338927.1550 23378.0942 0.0000 0.0000 44452.9200 -222415.1443 161.7075 -266868.0643 -222059.6373 161.7075 -2659.9609 -2384.7569 921491.4634 -2659.9609 -2384.7569
ENERGY: 453 21399.8726 20641.1314 5722.2879 173.1350 -338392.7946 23354.5907 0.0000 0.0000 44683.7037 -222418.0733 162.5470 -267101.7770 -222043.5375 162.5470 -2048.3342 -2342.4669 921491.4634 -2048.3342 -2342.4669
ENERGY: 454 20248.3380 20654.1376 5720.2218 172.3637 -337567.1424 23320.6901 0.0000 0.0000 45008.1467 -222443.2445 163.7273 -267451.3912 -222041.8394 163.7273 -1453.4580 -2293.1451 921491.4634 -1453.4580 -2293.1451
ENERGY: 455 19486.7905 20584.7122 5718.4844 172.5169 -336790.6459 23290.4023 0.0000 0.0000 45086.5790 -222451.1606 164.0126 -267537.7396 -222040.8573 164.0126 -1151.8824 -2255.8573 921491.4634 -1151.8824 -2255.8573
ENERGY: 456 19493.3719 20440.6801 5717.7556 173.4248 -336350.1077 23274.9631 0.0000 0.0000 44811.4726 -222438.4396 163.0118 -267249.9122 -222055.3486 163.0118 -1305.5002 -2245.5823 921491.4634 -1305.5002 -2245.5823
ENERGY: 457 20047.4925 20251.9434 5718.5580 174.9241 -336395.8164 23277.8275 0.0000 0.0000 44521.8706 -222403.2003 161.9583 -266925.0709 -222049.4133 161.9583 -1906.4163 -2263.5013 921491.4634 -1906.4163 -2263.5013
ENERGY: 458 20585.8432 20019.2721 5720.7061 176.6081 -336835.0957 23294.7173 0.0000 0.0000 44632.7889 -222405.1600 162.3618 -267037.9489 -222051.2823 162.3618 -2684.6986 -2301.0427 921491.4634 -2684.6986 -2301.0427
ENERGY: 459 20903.4945 19784.9687 5724.0022 178.1984 -337468.1641 23318.6984 0.0000 0.0000 45113.9367 -222444.8653 164.1121 -267558.8020 -222053.1412 164.1121 -3350.5832 -2341.5796 921491.4634 -3350.5832 -2341.5796
TIMING: 460 CPU: 216.753, 0.45834/step Wall: 216.753, 0.45834/step, 0.00509267 hours remaining, 3224.257812 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 19597.9060 5728.0972 179.4910 -338014.3764 23341.8002 0.0000 0.0000 45423.8565 -222480.6116 165.2395 -267904.4680 -222064.6835 165.2395 -3669.8203 -2365.2412 921491.4634 -3669.8203 -2365.2412
ENERGY: 461 21862.8763 19507.1071 5732.5753 180.4333 -338251.6212 23355.3936 0.0000 0.0000 45154.6138 -222458.6218 164.2601 -267613.2356 -222058.0506 164.2601 -3556.1668 -2361.1799 921491.4634 -3556.1668 -2361.1799
ENERGY: 462 22264.2255 19487.8105 5736.4823 180.9531 -337988.7167 23351.1088 0.0000 0.0000 44559.9292 -222408.2073 162.0968 -266968.1365 -222056.7213 162.0968 -2954.8202 -2323.4250 921491.4634 -2954.8202 -2323.4250
ENERGY: 463 21821.1791 19513.9012 5738.9361 181.1160 -337284.1026 23326.9479 0.0000 0.0000 44313.4571 -222388.5651 161.2002 -266702.0222 -222054.6241 161.2002 -2012.4425 -2264.0777 921491.4634 -2012.4425 -2264.0777
ENERGY: 464 20535.2459 19559.9269 5739.2519 181.0096 -336389.3838 23291.1944 0.0000 0.0000 44654.0267 -222428.7284 162.4391 -267082.7551 -222058.5728 162.4391 -1050.9226 -2205.5267 921491.4634 -1050.9226 -2205.5267
ENERGY: 465 19322.7825 19631.8852 5737.2899 180.7155 -335701.1533 23259.7394 0.0000 0.0000 45094.5689 -222474.1719 164.0416 -267568.7408 -222052.9387 164.0416 -512.3343 -2174.4006 921491.4634 -512.3343 -2174.4006
ENERGY: 466 19088.4507 19708.3581 5733.2107 180.2808 -335443.7726 23245.0607 0.0000 0.0000 45020.7910 -222467.6206 163.7733 -267488.4116 -222052.9785 163.7733 -630.3310 -2182.6708 921491.4634 -630.3310 -2182.6708
ENERGY: 467 19841.8067 19783.1743 5727.6704 179.7757 -335721.0954 23249.4533 0.0000 0.0000 44523.6668 -222415.5482 161.9649 -266939.2150 -222054.3494 161.9649 -1393.6025 -2232.5922 921491.4634 -1393.6025 -2232.5922
ENERGY: 468 20761.8481 19845.4944 5721.5090 179.2779 -336451.5672 23265.8129 0.0000 0.0000 44291.6587 -222385.9663 161.1209 -266677.6249 -222056.3590 161.1209 -2508.6712 -2314.1339 921491.4634 -2508.6712 -2314.1339
ENERGY: 469 21236.3017 19910.2024 5715.6824 178.8504 -337458.3210 23284.3966 0.0000 0.0000 44720.3203 -222412.5672 162.6802 -267132.8875 -222046.0750 162.6802 -3596.7405 -2405.7972 921491.4634 -3596.7405 -2405.7972
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1732 19972.8938 5710.9492 178.5947 -338383.2518 23297.0677 0.0000 0.0000 45346.4576 -222466.1156 164.9579 -267812.5732 -222047.6089 164.9579 -4259.6996 -2477.6831 921491.4634 -4259.6996 -2477.6831
ENERGY: 471 21732.8678 20054.6839 5707.9627 178.5890 -338913.2464 23297.5090 0.0000 0.0000 45471.3369 -222470.2971 165.4122 -267941.6340 -222047.5359 165.4122 -4290.5685 -2504.3175 921491.4634 -4290.5685 -2504.3175
ENERGY: 472 22081.2362 20161.5555 5707.0091 178.9047 -338870.6781 23279.4496 0.0000 0.0000 45028.5298 -222433.9931 163.8014 -267462.5230 -222059.5060 163.8014 -3659.7362 -2479.9183 921491.4634 -3659.7362 -2479.9183
ENERGY: 473 21866.1364 20289.3429 5707.9843 179.6165 -338307.7204 23240.7369 0.0000 0.0000 44634.5173 -222389.3861 162.3681 -267023.9034 -222043.8541 162.3681 -2556.3617 -2408.1657 921491.4634 -2556.3617 -2408.1657
ENERGY: 474 20842.9706 20372.0988 5710.2161 180.7466 -337438.4564 23189.2354 0.0000 0.0000 44733.2305 -222409.9583 162.7272 -267143.1889 -222041.2621 162.7272 -1295.5524 -2316.2727 921491.4634 -1295.5524 -2316.2727
ENERGY: 475 19674.2080 20371.7674 5712.9876 182.2512 -336604.2322 23142.3824 0.0000 0.0000 45070.2138 -222450.4218 163.9531 -267520.6356 -222039.4532 163.9531 -344.6447 -2232.2125 921491.4634 -344.6447 -2232.2125
ENERGY: 476 19235.7859 20282.0273 5715.7683 184.0125 -336100.0910 23115.8473 0.0000 0.0000 45106.0634 -222460.5863 164.0835 -267566.6497 -222053.6139 164.0835 -92.4046 -2183.0651 921491.4634 -92.4046 -2183.0651
ENERGY: 477 19704.7247 20145.9811 5718.4976 185.9230 -336101.8795 23114.2945 0.0000 0.0000 44812.3209 -222420.1376 163.0149 -267232.4585 -222044.8412 163.0149 -667.4942 -2171.8227 921491.4634 -667.4942 -2171.8227
ENERGY: 478 20493.4776 19974.7635 5721.0254 187.7262 -336537.4041 23131.2466 0.0000 0.0000 44627.0332 -222402.1316 162.3409 -267029.1648 -222047.4108 162.3409 -1807.1601 -2198.7955 921491.4634 -1807.1601 -2198.7955
ENERGY: 479 21125.3059 19793.3953 5723.3295 189.2099 -337215.5842 23156.6777 0.0000 0.0000 44802.1575 -222425.5084 162.9779 -267227.6659 -222050.5461 162.9779 -3089.8515 -2246.7916 921491.4634 -3089.8515 -2246.7916
TIMING: 480 CPU: 225.911, 0.457917/step Wall: 225.911, 0.457917/step, 0.00254398 hours remaining, 3224.257812 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 19623.1962 5725.3111 190.1901 -337854.6787 23181.5123 0.0000 0.0000 45051.6812 -222458.7551 163.8856 -267510.4362 -222064.6210 163.8856 -4077.7326 -2291.4891 921491.4634 -4077.7326 -2291.4891
ENERGY: 481 22092.4854 19510.0431 5727.0952 190.6351 -338199.2482 23196.7964 0.0000 0.0000 45041.3366 -222440.8564 163.8480 -267482.1929 -222052.5266 163.8480 -4466.2395 -2305.6732 921491.4634 -4466.2395 -2305.6732
ENERGY: 482 22186.3468 19466.6793 5728.4963 190.3598 -338044.5420 23192.7479 0.0000 0.0000 44865.8517 -222414.0601 163.2096 -267279.9118 -222051.4113 163.2096 -4059.3099 -2278.0614 921491.4634 -4059.3099 -2278.0614
ENERGY: 483 21553.1414 19511.5745 5729.5660 189.3227 -337426.2186 23165.8745 0.0000 0.0000 44861.8965 -222414.8430 163.1952 -267276.7396 -222048.7673 163.1952 -2964.1723 -2216.4116 921491.4634 -2964.1723 -2216.4116
ENERGY: 484 20460.8927 19631.1940 5730.2465 187.5455 -336590.8888 23126.1356 0.0000 0.0000 45003.6027 -222451.2719 163.7107 -267454.8746 -222059.8744 163.7107 -1565.2426 -2143.1851 921491.4634 -1565.2426 -2143.1851
ENERGY: 485 19688.7721 19800.2993 5730.5256 185.2458 -335902.5870 23092.8474 0.0000 0.0000 44955.5721 -222449.3248 163.5360 -267404.8969 -222045.9608 163.5360 -422.1569 -2086.8737 921491.4634 -422.1569 -2086.8737
ENERGY: 486 19602.5426 19954.8178 5729.7197 182.4662 -335612.3573 23080.3811 0.0000 0.0000 44645.9114 -222416.5184 162.4096 -267062.4299 -222044.6763 162.4096 87.3181 -2070.0983 921491.4634 87.3181 -2070.0983
ENERGY: 487 19881.0924 20072.0215 5727.4347 179.4360 -335846.4488 23091.0548 0.0000 0.0000 44503.3493 -222392.0602 161.8910 -266895.4094 -222045.2409 161.8910 -192.2345 -2106.8841 921491.4634 -192.2345 -2106.8841
ENERGY: 488 20125.2098 20156.1364 5723.5441 176.4338 -336552.5459 23118.8620 0.0000 0.0000 44827.0556 -222425.3042 163.0685 -267252.3598 -222057.1939 163.0685 -1145.7532 -2194.6680 921491.4634 -1145.7532 -2194.6680
ENERGY: 489 20526.8873 20236.4612 5718.5748 173.8639 -337540.4664 23156.7314 0.0000 0.0000 45266.1003 -222461.8474 164.6656 -267727.9477 -222045.6087 164.6656 -2511.2404 -2316.7067 921491.4634 -2511.2404 -2316.7067
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7490 20292.9026 5712.8912 171.8438 -338458.1370 23196.4881 0.0000 0.0000 45213.5629 -222459.6994 164.4745 -267673.2624 -222048.2209 164.4745 -3823.4040 -2437.4155 921491.4634 -3823.4040 -2437.4155
ENERGY: 491 22430.4639 20312.1365 5707.3795 170.5404 -338984.5803 23226.0940 0.0000 0.0000 44733.0091 -222404.9570 162.7264 -267137.9660 -222049.4639 162.7264 -4629.6936 -2524.6216 921491.4634 -4629.6936 -2524.6216
ENERGY: 492 22612.9546 20289.6816 5702.9944 170.0208 -338937.5826 23232.7208 0.0000 0.0000 44542.1952 -222387.0152 162.0323 -266929.2104 -222060.3861 162.0323 -4606.8527 -2557.4730 921491.4634 -4606.8527 -2557.4730
ENERGY: 493 21558.2187 20260.7379 5700.7779 170.3200 -338358.0643 23214.0540 0.0000 0.0000 45033.8231 -222420.1327 163.8207 -267453.9558 -222046.5902 163.8207 -3796.3821 -2540.0997 921491.4634 -3796.3821 -2540.0997
ENERGY: 494 20068.3365 20225.0266 5700.9805 171.2193 -337454.3845 23183.0799 0.0000 0.0000 45622.2477 -222483.4940 165.9612 -268105.7417 -222044.0868 165.9612 -2500.8994 -2482.1069 921491.4634 -2500.8994 -2482.1069
ENERGY: 495 19383.2462 20186.8305 5703.5926 172.5416 -336566.9897 23159.4629 0.0000 0.0000 45484.1233 -222477.1926 165.4587 -267961.3159 -222041.5564 165.4587 -1249.6837 -2407.3057 921491.4634 -1249.6837 -2407.3057
ENERGY: 496 19722.4832 20130.6475 5708.0350 174.0933 -335998.7166 23154.2641 0.0000 0.0000 44699.5273 -222409.6661 162.6046 -267109.1934 -222049.0671 162.6046 -478.8995 -2343.4750 921491.4634 -478.8995 -2343.4750
ENERGY: 497 20212.6667 20059.9178 5713.4613 175.7242 -335952.5054 23166.3551 0.0000 0.0000 44261.0291 -222363.3511 161.0095 -266624.3803 -222042.7501 161.0095 -421.0230 -2316.7928 921491.4634 -421.0230 -2316.7928
ENERGY: 498 20182.0166 19957.1216 5718.5596 177.2604 -336366.4946 23189.3592 0.0000 0.0000 44728.2537 -222413.9234 162.7091 -267142.1771 -222044.5221 162.7091 -993.4678 -2331.6472 921491.4634 -993.4678 -2331.6472
ENERGY: 499 20158.0680 19847.7308 5722.4089 178.6361 -337058.4837 23219.2411 0.0000 0.0000 45439.2647 -222493.1340 165.2956 -267932.3987 -222047.2063 165.2956 -2020.8687 -2376.3390 921491.4634 -2020.8687 -2376.3390
Info: Benchmark time: 4 CPUs 0.457759 s/step 5.29814 days/ns 3224.26 MB memory
TIMING: 500 CPU: 235, 0.454427/step Wall: 235, 0.454427/step, 0 hours remaining, 3224.257812 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 20974.8938 19756.6583 5724.4523 179.8271 -337741.4205 23251.1016 0.0000 0.0000 45359.0782 -222495.4091 165.0039 -267854.4873 -222061.0909 165.0039 -3197.5167 -2425.4140 921491.4634 -3197.5167 -2425.4140
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, 3229.910 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.910 MB of memory in use
====================================================
WallClock: 242.221756 CPUTime: 242.221756 Memory: 3229.910156 MB
[Partition 0][Node 0] End of program
Application 1112049 resources: utime ~950s, stime ~20s, Rss ~127428, inblocks ~66663, outblocks ~71878
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=242.221756
CPU=242.221756
MEM=3229.910156
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 21 06:51 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 21 06:51 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 21 06:51 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 21 06:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189486 Dec 21 06:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505293 Dec 21 06:46 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 21 06:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 21 06:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 21 06:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 21 06:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 21 06:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 21 06:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 21 06:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 21 06:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 21 06:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 21 06:21 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/jenkins12534642333358503482.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}
