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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: 90 22711.6049 19691.0676 5699.8921 181.1111 -335712.1130 22705.2746 0.0000 0.0000 42377.6758 -222345.4868 154.1583 -264723.1626 -222389.2090 154.1583 -2670.9832 -2080.5818 921491.4634 -2670.9832 -2080.5818
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LDB: ============= START OF LOAD BALANCING ============== 54.6401
LDB: Largest compute 200 load 0.430060 is 1.2% of average load 36.828718
LDB: Average compute 0.051592 is 0.1% of average load 36.828718
LDB: Partitioning computes with target load 3.682872
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055385
LDB: ============== END OF LOAD BALANCING =============== 54.6422
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.6431
Info: Initial time: 4 CPUs 0.474618 s/step 5.49326 days/ns 3221.54 MB memory
TIMING: 100 CPU: 48.4336, 0.473597/step Wall: 48.4336, 0.473597/step, 0.0526219 hours remaining, 3221.539062 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 ============== 64.096
LDB: ============== END OF LOAD BALANCING =============== 64.0961
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.0965
TIMING: 120 CPU: 57.8869, 0.472664/step Wall: 57.8869, 0.472664/step, 0.0498923 hours remaining, 3221.746094 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: 131 21530.9957 19804.6628 5745.0872 187.0957 -335083.2644 21105.7069 0.0000 0.0000 44221.5102 -222488.2058 160.8657 -266709.7160 -222215.1804 160.8657 -5164.7864 -2872.9597 921491.4634 -5164.7864 -2872.9597
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ENERGY: 136 18381.4539 21453.0791 5750.0867 193.4037 -332655.7486 21006.3295 0.0000 0.0000 43348.3540 -222523.0419 157.6894 -265871.3959 -222211.0694 157.6894 198.1851 -2776.3543 921491.4634 198.1851 -2776.3543
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ENERGY: 138 21874.8524 19195.4800 5730.8549 192.8766 -333203.4342 21083.5324 0.0000 0.0000 42784.9639 -222340.8740 155.6399 -265125.8379 -222213.1816 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.3331, 0.47231/step Wall: 67.3331, 0.47231/step, 0.047231 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 20992.5977 17997.1577 5722.1741 192.2140 -333726.9444 21127.4061 0.0000 0.0000 45144.2513 -222551.1436 164.2224 -267695.3949 -222224.0364 164.2224 -5617.7629 -3080.3639 921491.4634 -5617.7629 -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 21015.8993 19956.3835 5767.3089 192.0924 -334899.3753 20845.5771 0.0000 0.0000 44606.5896 -222515.5244 162.2665 -267122.1140 -222153.2665 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
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TIMING: 160 CPU: 76.7703, 0.471859/step Wall: 76.7703, 0.471859/step, 0.0445644 hours remaining, 3222.082031 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: 86.1964, 0.471308/step Wall: 86.1964, 0.471308/step, 0.041894 hours remaining, 3222.222656 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 19234.9572 5686.4352 181.9571 -332240.0937 21043.7459 0.0000 0.0000 44391.5887 -222435.3691 161.4844 -266826.9578 -222129.2887 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2967 19471.4304 5678.7398 184.6336 -333156.1126 21076.9264 0.0000 0.0000 42449.0056 -222222.0800 154.4178 -264671.0856 -222130.9079 154.4178 -3641.8536 -2802.0867 921491.4634 -3641.8536 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 101.832
LDB: Largest compute 200 load 0.425168 is 1.2% of average load 36.647192
LDB: Average compute 0.051334 is 0.1% of average load 36.647192
LDB: TIME 101.834 LOAD: AVG 36.6472 MAX 37.7353 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.53 MB
LDB: TIME 101.836 LOAD: AVG 36.6472 MAX 37.5449 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.53 MB
LDB: ============== END OF LOAD BALANCING =============== 101.838
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.841
Info: Initial time: 4 CPUs 0.471893 s/step 5.46173 days/ns 3223.26 MB memory
TIMING: 200 CPU: 95.6328, 0.47182/step Wall: 95.6328, 0.47182/step, 0.0393183 hours remaining, 3223.261719 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: 203 20743.8946 19130.0390 5729.2400 192.0764 -333501.9375 21215.8253 0.0000 0.0000 44059.6986 -222431.1635 160.2771 -266490.8621 -222093.6428 160.2771 -1046.8259 -2512.4436 921491.4634 -1046.8259 -2512.4436
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1735 20194.2567 5705.3139 178.4614 -336615.7767 21385.1095 0.0000 0.0000 45251.4335 -222516.0282 164.6123 -267767.4617 -222108.2016 164.6123 -6091.3662 -2896.2626 921491.4634 -6091.3662 -2896.2626
ENERGY: 211 24099.1929 19985.8629 5704.9373 176.9105 -336667.8927 21415.1477 0.0000 0.0000 43031.7285 -222254.1128 156.5376 -265285.8414 -222106.8541 156.5376 -5900.2977 -2885.1009 921491.4634 -5900.2977 -2885.1009
ENERGY: 212 23739.2711 19730.8220 5710.0295 176.0352 -336013.6224 21412.5983 0.0000 0.0000 42995.1638 -222249.7025 156.4046 -265244.8663 -222104.2317 156.4046 -4424.1003 -2820.3210 921491.4634 -4424.1003 -2820.3210
ENERGY: 213 20150.2161 19524.5247 5720.1722 175.9508 -334874.6440 21380.5552 0.0000 0.0000 45418.7805 -222504.4446 165.2210 -267923.2251 -222097.3834 165.2210 -2174.3118 -2725.0841 921491.4634 -2174.3118 -2725.0841
ENERGY: 214 17315.5529 19421.7447 5733.3059 176.6827 -333645.3933 21358.4485 0.0000 0.0000 46958.4702 -222681.1884 170.8220 -269639.6586 -222093.7406 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5055 19441.9742 5746.5772 178.1492 -332787.3319 21379.5596 0.0000 0.0000 45302.6745 -222527.8916 164.7987 -267830.5661 -222091.0446 164.7987 784.0015 -2554.0367 921491.4634 784.0015 -2554.0367
ENERGY: 216 20973.4716 19522.5061 5756.9571 180.1770 -332560.1059 21436.4836 0.0000 0.0000 42442.1786 -222248.3318 154.3930 -264690.5104 -222073.6156 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3866 19581.4819 5762.2416 182.5517 -333010.6755 21497.2705 0.0000 0.0000 41983.6749 -222225.0682 152.7251 -264208.7431 -222064.4464 152.7251 -882.1698 -2598.7243 921491.4634 -882.1698 -2598.7243
ENERGY: 218 20165.9156 19540.0890 5761.2415 184.9927 -333856.1145 21546.6561 0.0000 0.0000 44178.6835 -222478.5360 160.7099 -266657.2196 -222068.8155 160.7099 -2628.0651 -2703.9746 921491.4634 -2628.0651 -2703.9746
ENERGY: 219 19429.8640 19413.3931 5754.3577 187.2447 -334778.0708 21596.8808 0.0000 0.0000 45751.9298 -222644.4007 166.4329 -268396.3305 -222073.1720 166.4329 -4457.7331 -2810.5237 921491.4634 -4457.7331 -2810.5237
TIMING: 220 CPU: 105.069, 0.471823/step Wall: 105.069, 0.471823/step, 0.0366973 hours remaining, 3223.261719 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: 114.497, 0.47141/step Wall: 114.497, 0.47141/step, 0.0340463 hours remaining, 3223.261719 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: 246 20878.5481 19853.7024 5716.8932 174.1558 -334213.1204 21705.0851 0.0000 0.0000 43600.4181 -222284.3178 158.6063 -265884.7359 -222067.4295 158.6063 -1173.7928 -2523.3912 921491.4634 -1173.7928 -2523.3912
ENERGY: 247 19868.5287 19979.6439 5712.7400 177.5412 -334802.1841 21719.8455 0.0000 0.0000 44912.1912 -222431.6937 163.3782 -267343.8848 -222068.1394 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 256 20899.4410 18950.9577 5693.4518 195.6570 -332975.5973 21757.6848 0.0000 0.0000 43181.1611 -222297.2439 157.0812 -265478.4050 -222071.2740 157.0812 -2042.2408 -2664.5199 921491.4634 -2042.2408 -2664.5199
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TIMING: 260 CPU: 123.914, 0.470823/step Wall: 123.914, 0.470823/step, 0.0313882 hours remaining, 3223.566406 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 264 19385.2260 20436.4305 5710.6950 187.5052 -334855.9512 21907.7772 0.0000 0.0000 44751.4783 -222476.8390 162.7936 -267228.3173 -222069.1984 162.7936 -2191.1926 -2723.5293 921491.4634 -2191.1926 -2723.5293
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ENERGY: 266 20048.7899 20788.8700 5712.1327 187.6137 -334399.4577 21914.4805 0.0000 0.0000 43399.3795 -222348.1913 157.8750 -265747.5708 -222054.3636 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0905 20691.2678 5707.0583 187.8501 -334831.4855 21930.8374 0.0000 0.0000 44220.2167 -222446.1647 160.8610 -266666.3815 -222055.6586 160.8610 -2435.4233 -2662.6783 921491.4634 -2435.4233 -2662.6783
ENERGY: 268 19962.9159 20375.7515 5700.1930 187.9286 -335513.7447 21959.1257 0.0000 0.0000 44823.5376 -222504.2924 163.0557 -267327.8300 -222075.9874 163.0557 -2903.2124 -2658.6180 921491.4634 -2903.2124 -2658.6180
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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 22620.1934 19450.9167 5690.3173 187.1618 -336650.6773 22028.8071 0.0000 0.0000 44308.0073 -222365.2738 161.1804 -266673.2810 -222067.0434 161.1804 -3583.3634 -2617.7583 921491.4634 -3583.3634 -2617.7583
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ENERGY: 272 21021.5585 18896.0661 5692.8269 184.9335 -335921.4613 22015.0580 0.0000 0.0000 45607.7075 -222503.3109 165.9083 -268111.0184 -222081.1571 165.9083 -2551.9684 -2501.8804 921491.4634 -2551.9684 -2501.8804
ENERGY: 273 20123.2136 18932.9080 5697.5118 183.8526 -334925.7011 21985.5296 0.0000 0.0000 45502.7160 -222499.9695 165.5264 -268002.6855 -222069.0458 165.5264 -1837.1975 -2434.6759 921491.4634 -1837.1975 -2434.6759
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ENERGY: 276 19401.8501 19594.7508 5701.2547 182.4904 -333292.1279 21971.0410 0.0000 0.0000 44028.5270 -222412.2140 160.1637 -266440.7410 -222072.9395 160.1637 -1580.1300 -2417.6041 921491.4634 -1580.1300 -2417.6041
ENERGY: 277 19149.2971 19724.7160 5695.5210 182.9396 -333864.3452 21997.2387 0.0000 0.0000 44632.8110 -222481.8218 162.3619 -267114.6328 -222061.0988 162.3619 -2311.7544 -2498.0545 921491.4634 -2311.7544 -2498.0545
ENERGY: 278 20199.4576 19713.7760 5686.9122 183.6585 -334821.1002 22041.3359 0.0000 0.0000 44532.2539 -222463.7062 161.9961 -266995.9600 -222063.4131 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -2593.7697
ENERGY: 279 21984.3649 19593.9431 5677.5176 184.5187 -335888.5800 22096.4199 0.0000 0.0000 43975.0878 -222376.7279 159.9693 -266351.8157 -222065.2024 159.9693 -4044.3213 -2682.8390 921491.4634 -4044.3213 -2682.8390
TIMING: 280 CPU: 133.322, 0.470401/step Wall: 133.322, 0.470401/step, 0.0287467 hours remaining, 3223.566406 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 -336752.6632 22145.1354 0.0000 0.0000 44066.7336 -222367.6418 160.3027 -266434.3754 -222073.4246 160.3027 -4286.3895 -2748.0547 921491.4634 -4286.3895 -2748.0547
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ENERGY: 282 20943.7899 19615.5379 5669.9796 186.8360 -336942.5034 22176.7655 0.0000 0.0000 45823.3369 -222526.2577 166.6927 -268349.5946 -222063.3315 166.6927 -2992.3273 -2779.3669 921491.4634 -2992.3273 -2779.3669
ENERGY: 283 20432.1061 19966.6614 5678.8137 187.1634 -336251.9200 22171.0648 0.0000 0.0000 45328.8519 -222487.2586 164.8939 -267816.1105 -222060.8459 164.8939 -2008.7738 -2748.2307 921491.4634 -2008.7738 -2748.2307
ENERGY: 284 20506.3999 20401.8821 5692.0830 187.1346 -335412.6298 22166.2910 0.0000 0.0000 44071.4478 -222387.3914 160.3198 -266458.8392 -222061.5539 160.3198 -1267.2791 -2712.3901 921491.4634 -1267.2791 -2712.3901
ENERGY: 285 20203.3287 20789.9628 5707.3564 186.7145 -334827.1962 22167.0166 0.0000 0.0000 43418.2628 -222354.5544 157.9437 -265772.8172 -222053.5966 157.9437 -1010.8437 -2700.0820 921491.4634 -1010.8437 -2700.0820
ENERGY: 286 19396.6308 20966.5621 5721.5031 185.8230 -334658.1144 22176.6863 0.0000 0.0000 43785.6879 -222425.2211 159.2803 -266210.9091 -222054.0581 159.2803 -1306.7501 -2717.2846 921491.4634 -1306.7501 -2717.2846
ENERGY: 287 19176.1189 20856.7822 5731.9346 184.4714 -334918.1474 22200.2910 0.0000 0.0000 44282.9435 -222485.6058 161.0892 -266768.5494 -222055.7252 161.0892 -2148.9611 -2753.3343 921491.4634 -2148.9611 -2753.3343
ENERGY: 288 20263.2087 20475.2850 5736.9557 182.7335 -335468.3143 22237.9037 0.0000 0.0000 44116.9902 -222455.2375 160.4855 -266572.2276 -222066.9052 160.4855 -3310.5877 -2790.1553 921491.4634 -3310.5877 -2790.1553
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 148.962
LDB: Largest compute 200 load 0.523761 is 1.1% of average load 45.743120
LDB: Average compute 0.064079 is 0.1% of average load 45.743120
LDB: TIME 148.964 LOAD: AVG 45.7431 MAX 47.1207 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.92 MB
LDB: TIME 148.964 LOAD: AVG 45.7431 MAX 47.1207 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3223.92 MB
LDB: TIME 148.98 LOAD: AVG 45.7431 MAX 46.2541 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3223.92 MB
LDB: ============== END OF LOAD BALANCING =============== 148.981
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.983
Info: Initial time: 4 CPUs 0.470838 s/step 5.44952 days/ns 3223.92 MB memory
TIMING: 300 CPU: 142.738, 0.470802/step Wall: 142.738, 0.470802/step, 0.0261557 hours remaining, 3223.917969 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 320 CPU: 151.962, 0.46122/step Wall: 151.962, 0.46122/step, 0.023061 hours remaining, 3223.917969 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 340 CPU: 161.18, 0.460882/step Wall: 161.18, 0.460882/step, 0.0204836 hours remaining, 3223.917969 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 360 CPU: 170.39, 0.460495/step Wall: 170.39, 0.460495/step, 0.0179081 hours remaining, 3223.917969 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 20473.8099 20495.6594 5711.4639 183.2952 -336584.2277 22821.5835 0.0000 0.0000 44474.7538 -222423.6621 161.7869 -266898.4159 -222044.3967 161.7869 -2972.9871 -2523.3499 921491.4634 -2972.9871 -2523.3499
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TIMING: 380 CPU: 179.591, 0.460072/step Wall: 179.591, 0.460072/step, 0.0153357 hours remaining, 3223.917969 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 19625.4114 19596.0351 5710.5349 179.0647 -336052.0486 22884.2533 0.0000 0.0000 45539.1833 -222517.5659 165.6590 -268056.7492 -222062.0927 165.6590 -569.2381 -2166.9358 921491.4634 -569.2381 -2166.9358
ENERGY: 385 19327.8180 19356.8910 5707.7751 177.4354 -335210.6399 22871.6142 0.0000 0.0000 45299.7170 -222469.3891 164.7879 -267769.1061 -222051.0995 164.7879 215.3515 -2064.3637 921491.4634 215.3515 -2064.3637
ENERGY: 386 19981.2272 19220.9463 5707.6637 175.9385 -334865.1815 22880.7957 0.0000 0.0000 44519.8584 -222378.7517 161.9510 -266898.6101 -222051.0439 161.9510 122.6671 -2011.2428 921491.4634 122.6671 -2011.2428
ENERGY: 387 20367.2859 19202.4844 5710.9354 174.6759 -335109.8723 22905.2743 0.0000 0.0000 44377.1814 -222372.0351 161.4320 -266749.2164 -222053.0051 161.4320 -738.9583 -2019.1689 921491.4634 -738.9583 -2019.1689
ENERGY: 388 20282.3985 19280.0168 5717.2934 173.7038 -335824.1518 22938.2899 0.0000 0.0000 44972.7759 -222459.6734 163.5986 -267432.4493 -222067.4820 163.5986 -2063.8552 -2076.2822 921491.4634 -2063.8552 -2076.2822
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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 20133.3592 5716.9814 176.0456 -336812.3377 23014.0587 0.0000 0.0000 45592.7318 -222486.3497 165.8538 -268079.0815 -222045.7223 165.8538 -1710.2234 -2443.6965 921491.4634 -1710.2234 -2443.6965
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LDB: ============= START OF LOAD BALANCING ============== 195.04
LDB: Largest compute 230 load 0.522293 is 1.1% of average load 45.698425
LDB: Average compute 0.064004 is 0.1% of average load 45.698425
LDB: TIME 195.041 LOAD: AVG 45.6984 MAX 46.0566 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.92 MB
LDB: TIME 195.042 LOAD: AVG 45.6984 MAX 46.0566 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3223.92 MB
LDB: TIME 195.042 LOAD: AVG 45.6984 MAX 46.0566 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3223.92 MB
LDB: ============== END OF LOAD BALANCING =============== 195.043
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 195.043
Info: Benchmark time: 4 CPUs 0.460503 s/step 5.32989 days/ns 3223.92 MB memory
TIMING: 400 CPU: 188.792, 0.460051/step Wall: 188.792, 0.460051/step, 0.0127792 hours remaining, 3223.917969 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 20784.9696 19778.4824 5715.7218 174.2695 -337239.9784 23077.8405 0.0000 0.0000 45225.5963 -222483.0983 164.5183 -267708.6946 -222046.6853 164.5183 -3613.5979 -2605.7427 921491.4634 -3613.5979 -2605.7427
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ENERGY: 408 19735.8468 19387.6644 5692.2152 187.5226 -335902.8222 23017.8176 0.0000 0.0000 45394.4122 -222487.3434 165.1324 -267881.7556 -222063.5313 165.1324 -920.8278 -2294.1555 921491.4634 -920.8278 -2294.1555
ENERGY: 409 20350.1186 19376.4608 5688.4775 191.1593 -336896.6851 23057.9925 0.0000 0.0000 45733.6059 -222498.8706 166.3663 -268232.4765 -222051.6706 166.3663 -2367.4918 -2346.9324 921491.4634 -2367.4918 -2346.9324
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 413 21130.1419 20138.5250 5699.9334 199.7191 -337872.5327 23125.1118 0.0000 0.0000 45113.2143 -222465.8871 164.1095 -267579.1015 -222055.3455 164.1095 -3850.6272 -2398.9549 921491.4634 -3850.6272 -2398.9549
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ENERGY: 415 19745.2667 20572.1261 5708.7452 198.1487 -336456.1978 23071.1993 0.0000 0.0000 44733.2271 -222427.4847 162.7272 -267160.7118 -222049.0348 162.7272 -1174.6453 -2266.5615 921491.4634 -1174.6453 -2266.5615
ENERGY: 416 19942.3170 20661.9898 5710.0857 195.6954 -336157.5863 23063.1716 0.0000 0.0000 44200.2847 -222384.0422 160.7885 -266584.3269 -222052.9645 160.7885 -282.7613 -2224.6897 921491.4634 -282.7613 -2224.6897
ENERGY: 417 20031.3748 20631.3211 5709.0494 192.4696 -336373.1074 23072.1099 0.0000 0.0000 44338.4617 -222398.3210 161.2911 -266736.7827 -222044.6994 161.2911 -112.4551 -2227.1699 921491.4634 -112.4551 -2227.1699
ENERGY: 418 20154.6645 20457.0909 5705.5847 188.6536 -336970.7865 23098.6726 0.0000 0.0000 44915.1421 -222450.9779 163.3889 -267366.1200 -222046.7094 163.3889 -671.8544 -2269.9921 921491.4634 -671.8544 -2269.9921
ENERGY: 419 20790.7629 20185.5522 5700.4810 184.6055 -337717.8752 23139.8023 0.0000 0.0000 45250.3100 -222466.3614 164.6082 -267716.6714 -222049.5951 164.6082 -1783.9420 -2336.6465 921491.4634 -1783.9420 -2336.6465
TIMING: 420 CPU: 197.971, 0.458936/step Wall: 197.971, 0.458936/step, 0.0101986 hours remaining, 3223.917969 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: 426 19603.3347 19432.3068 5702.4947 169.0990 -335270.6873 23080.2889 0.0000 0.0000 44862.7385 -222420.4247 163.1983 -267283.1632 -222049.1090 163.1983 -1125.8050 -2237.7215 921491.4634 -1125.8050 -2237.7215
ENERGY: 427 19598.5314 19595.2898 5707.1504 168.7509 -335498.4316 23074.5003 0.0000 0.0000 44915.2776 -222438.9311 163.3894 -267354.2088 -222048.7339 163.3894 -741.9008 -2207.6355 921491.4634 -741.9008 -2207.6355
ENERGY: 428 20140.4225 19760.4171 5710.4628 168.5259 -336199.9853 23087.7673 0.0000 0.0000 44884.2597 -222448.1300 163.2766 -267332.3897 -222058.0552 163.2766 -935.5732 -2206.9586 921491.4634 -935.5732 -2206.9586
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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 22013.9872 20024.3738 5712.1700 168.1897 -338096.9207 23149.4489 0.0000 0.0000 44626.3101 -222402.4409 162.3383 -267028.7510 -222047.3918 162.3383 -2472.2458 -2268.0467 921491.4634 -2472.2458 -2268.0467
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ENERGY: 432 21768.3705 20188.6725 5710.3546 168.1086 -338651.2104 23176.0842 0.0000 0.0000 45177.9912 -222461.6287 164.3451 -267639.6199 -222065.9060 164.3451 -3350.2744 -2296.1498 921491.4634 -3350.2744 -2296.1498
ENERGY: 433 21200.9073 20275.9665 5710.3763 168.4633 -338164.0640 23162.2907 0.0000 0.0000 45192.9286 -222453.1314 164.3995 -267646.0599 -222052.5984 164.3995 -3187.3736 -2272.1277 921491.4634 -3187.3736 -2272.1277
ENERGY: 434 20730.3414 20338.1500 5711.6061 169.3247 -337394.2706 23140.7732 0.0000 0.0000 44883.0998 -222420.9754 163.2724 -267304.0752 -222051.1465 163.2724 -2694.3110 -2227.7885 921491.4634 -2694.3110 -2227.7885
ENERGY: 435 20235.2202 20362.4015 5714.0003 170.8455 -336680.6554 23123.4094 0.0000 0.0000 44675.9838 -222398.7947 162.5190 -267074.7785 -222049.5891 162.5190 -2061.3583 -2179.8951 921491.4634 -2061.3583 -2179.8951
ENERGY: 436 19670.9242 20349.9981 5717.2345 173.0864 -336303.8809 23119.9075 0.0000 0.0000 44847.0982 -222425.6319 163.1414 -267272.7302 -222059.6961 163.1414 -1520.6598 -2145.1617 921491.4634 -1520.6598 -2145.1617
ENERGY: 437 19434.5514 20329.5090 5720.9893 175.9827 -336411.9779 23136.3865 0.0000 0.0000 45159.2687 -222455.2903 164.2770 -267614.5590 -222050.7505 164.2770 -1319.1167 -2134.4849 921491.4634 -1319.1167 -2134.4849
ENERGY: 438 19935.1529 20278.6092 5724.6883 179.3848 -336899.4570 23173.5517 0.0000 0.0000 45148.1324 -222459.9376 164.2365 -267608.0699 -222051.5670 164.2365 -1493.0939 -2145.0881 921491.4634 -1493.0939 -2145.0881
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TIMING: 440 CPU: 207.142, 0.458524/step Wall: 207.142, 0.458524/step, 0.00764206 hours remaining, 3223.917969 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5683 20036.2367 5729.7527 186.7202 -338123.1800 23276.2485 0.0000 0.0000 44417.5457 -222405.1081 161.5788 -266822.6537 -222059.4775 161.5788 -2408.4611 -2197.9671 921491.4634 -2408.4611 -2197.9671
ENERGY: 441 22355.5487 19860.0404 5730.3487 190.1146 -338361.1710 23313.2044 0.0000 0.0000 44502.6962 -222409.2180 161.8886 -266911.9142 -222050.0861 161.8886 -2716.1027 -2221.5313 921491.4634 -2716.1027 -2221.5313
ENERGY: 442 21853.6118 19664.5345 5729.4854 192.9412 -338090.1529 23327.1567 0.0000 0.0000 44880.6318 -222441.7915 163.2634 -267322.4233 -222049.7757 163.2634 -2710.5577 -2229.0695 921491.4634 -2710.5577 -2229.0695
ENERGY: 443 21064.3316 19487.0719 5727.6164 194.9329 -337369.3147 23320.0158 0.0000 0.0000 45118.1105 -222457.2356 164.1273 -267575.3461 -222048.5997 164.1273 -2448.1650 -2220.3530 921491.4634 -2448.1650 -2220.3530
ENERGY: 444 20449.3365 19357.2687 5725.4095 195.8735 -336464.1921 23301.5276 0.0000 0.0000 44987.7173 -222447.0590 163.6530 -267434.7763 -222057.9800 163.6530 -2090.2101 -2206.4399 921491.4634 -2090.2101 -2206.4399
ENERGY: 445 20125.5610 19307.2516 5723.6513 195.6942 -335759.3912 23283.8139 0.0000 0.0000 44708.7149 -222414.7044 162.6380 -267123.4193 -222046.5431 162.6380 -1846.9627 -2201.6925 921491.4634 -1846.9627 -2201.6925
ENERGY: 446 19947.6805 19324.9005 5722.5430 194.3235 -335494.5706 23276.0451 0.0000 0.0000 44620.2939 -222408.7841 162.3164 -267029.0780 -222046.1623 162.3164 -1800.7517 -2216.7293 921491.4634 -1800.7517 -2216.7293
ENERGY: 447 19914.2846 19416.0209 5722.2107 191.8642 -335769.4397 23282.7458 0.0000 0.0000 44816.5082 -222425.8052 163.0301 -267242.3134 -222046.8345 163.0301 -1993.3110 -2253.0602 921491.4634 -1993.3110 -2253.0602
ENERGY: 448 20187.5918 19583.6800 5722.5764 188.5554 -336503.1798 23303.8904 0.0000 0.0000 45065.6669 -222451.2189 163.9365 -267516.8857 -222059.3484 163.9365 -2372.1876 -2303.7898 921491.4634 -2372.1876 -2303.7898
ENERGY: 449 20877.4057 19832.6986 5723.5712 184.8596 -337500.9069 23334.5923 0.0000 0.0000 45101.1672 -222446.6122 164.0657 -267547.7794 -222047.7102 164.0657 -2827.1078 -2356.1407 921491.4634 -2827.1078 -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 21754.4852 20108.1299 5724.4776 181.0898 -338419.3247 23364.6243 0.0000 0.0000 44854.3089 -222432.2089 163.1676 -267286.5178 -222048.7864 163.1676 -3116.6755 -2394.3896 921491.4634 -3116.6755 -2394.3896
ENERGY: 451 22355.5902 20357.7254 5724.7144 177.6517 -338952.0907 23381.8008 0.0000 0.0000 44542.6979 -222411.9103 162.0341 -266954.6082 -222048.8249 162.0341 -3074.2532 -2405.7797 921491.4634 -3074.2532 -2405.7797
ENERGY: 452 22246.2015 20536.0133 5723.8953 174.8859 -338927.1537 23378.0945 0.0000 0.0000 44452.9190 -222415.1443 161.7075 -266868.0633 -222059.6374 161.7075 -2659.9607 -2384.7568 921491.4634 -2659.9607 -2384.7568
ENERGY: 453 21399.8727 20641.1310 5722.2878 173.1350 -338392.7934 23354.5908 0.0000 0.0000 44683.7027 -222418.0734 162.5470 -267101.7761 -222043.5375 162.5470 -2048.3341 -2342.4668 921491.4634 -2048.3341 -2342.4668
ENERGY: 454 20248.3382 20654.1372 5720.2217 172.3637 -337567.1415 23320.6902 0.0000 0.0000 45008.1458 -222443.2445 163.7273 -267451.3904 -222041.8395 163.7273 -1453.4581 -2293.1450 921491.4634 -1453.4581 -2293.1450
ENERGY: 455 19486.7908 20584.7118 5718.4844 172.5169 -336790.6451 23290.4024 0.0000 0.0000 45086.5781 -222451.1607 164.0126 -267537.7388 -222040.8573 164.0126 -1151.8826 -2255.8572 921491.4634 -1151.8826 -2255.8572
ENERGY: 456 19493.3722 20440.6798 5717.7556 173.4248 -336350.1071 23274.9632 0.0000 0.0000 44811.4719 -222438.4396 163.0118 -267249.9116 -222055.3487 163.0118 -1305.5004 -2245.5822 921491.4634 -1305.5004 -2245.5822
ENERGY: 457 20047.4927 20251.9432 5718.5580 174.9241 -336395.8159 23277.8275 0.0000 0.0000 44521.8701 -222403.2003 161.9583 -266925.0705 -222049.4133 161.9583 -1906.4163 -2263.5012 921491.4634 -1906.4163 -2263.5012
ENERGY: 458 20585.8432 20019.2720 5720.7061 176.6081 -336835.0953 23294.7172 0.0000 0.0000 44632.7887 -222405.1600 162.3618 -267037.9487 -222051.2823 162.3618 -2684.6985 -2301.0426 921491.4634 -2684.6985 -2301.0426
ENERGY: 459 20903.4944 19784.9687 5724.0021 178.1985 -337468.1638 23318.6982 0.0000 0.0000 45113.9366 -222444.8653 164.1121 -267558.8020 -222053.1412 164.1121 -3350.5829 -2341.5796 921491.4634 -3350.5829 -2341.5796
TIMING: 460 CPU: 216.302, 0.45804/step Wall: 216.302, 0.45804/step, 0.00508934 hours remaining, 3223.917969 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6139 19597.9061 5728.0971 179.4910 -338014.3764 23341.8000 0.0000 0.0000 45423.8565 -222480.6118 165.2395 -267904.4683 -222064.6838 165.2395 -3669.8201 -2365.2413 921491.4634 -3669.8201 -2365.2413
ENERGY: 461 21862.8764 19507.1073 5732.5753 180.4333 -338251.6215 23355.3933 0.0000 0.0000 45154.6139 -222458.6221 164.2601 -267613.2360 -222058.0509 164.2601 -3556.1667 -2361.1800 921491.4634 -3556.1667 -2361.1800
ENERGY: 462 22264.2257 19487.8108 5736.4822 180.9531 -337988.7171 23351.1084 0.0000 0.0000 44559.9293 -222408.2076 162.0968 -266968.1369 -222056.7216 162.0968 -2954.8203 -2323.4252 921491.4634 -2954.8203 -2323.4252
ENERGY: 463 21821.1793 19513.9015 5738.9361 181.1160 -337284.1031 23326.9474 0.0000 0.0000 44313.4573 -222388.5654 161.2002 -266702.0228 -222054.6244 161.2002 -2012.4428 -2264.0780 921491.4634 -2012.4428 -2264.0780
ENERGY: 464 20535.2462 19559.9273 5739.2518 181.0096 -336389.3840 23291.1938 0.0000 0.0000 44654.0270 -222428.7284 162.4391 -267082.7553 -222058.5728 162.4391 -1050.9230 -2205.5269 921491.4634 -1050.9230 -2205.5269
ENERGY: 465 19322.7829 19631.8855 5737.2899 180.7155 -335701.1534 23259.7387 0.0000 0.0000 45094.5691 -222474.1719 164.0416 -267568.7409 -222052.9387 164.0416 -512.3348 -2174.4009 921491.4634 -512.3348 -2174.4009
ENERGY: 466 19088.4511 19708.3583 5733.2107 180.2808 -335443.7725 23245.0599 0.0000 0.0000 45020.7912 -222467.6205 163.7733 -267488.4117 -222052.9784 163.7733 -630.3315 -2182.6711 921491.4634 -630.3315 -2182.6711
ENERGY: 467 19841.8069 19783.1744 5727.6704 179.7757 -335721.0950 23249.4524 0.0000 0.0000 44523.6671 -222415.5482 161.9649 -266939.2152 -222054.3494 161.9649 -1393.6029 -2232.5925 921491.4634 -1393.6029 -2232.5925
ENERGY: 468 20761.8481 19845.4944 5721.5089 179.2779 -336451.5666 23265.8119 0.0000 0.0000 44291.6591 -222385.9664 161.1209 -266677.6255 -222056.3591 161.1209 -2508.6714 -2314.1342 921491.4634 -2508.6714 -2314.1342
ENERGY: 469 21236.3016 19910.2023 5715.6824 178.8504 -337458.3202 23284.3955 0.0000 0.0000 44720.3208 -222412.5673 162.6802 -267132.8881 -222046.0751 162.6802 -3596.7407 -2405.7975 921491.4634 -3596.7407 -2405.7975
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1732 19972.8935 5710.9491 178.5947 -338383.2508 23297.0665 0.0000 0.0000 45346.4580 -222466.1157 164.9580 -267812.5737 -222047.6090 164.9580 -4259.6998 -2477.6834 921491.4634 -4259.6998 -2477.6834
ENERGY: 471 21732.8679 20054.6835 5707.9626 178.5890 -338913.2452 23297.5077 0.0000 0.0000 45471.3373 -222470.2972 165.4122 -267941.6344 -222047.5360 165.4122 -4290.5687 -2504.3178 921491.4634 -4290.5687 -2504.3178
ENERGY: 472 22081.2362 20161.5551 5707.0091 178.9047 -338870.6768 23279.4484 0.0000 0.0000 45028.5303 -222433.9931 163.8014 -267462.5234 -222059.5060 163.8014 -3659.7366 -2479.9187 921491.4634 -3659.7366 -2479.9187
ENERGY: 473 21866.1364 20289.3425 5707.9843 179.6165 -338307.7191 23240.7356 0.0000 0.0000 44634.5179 -222389.3861 162.3681 -267023.9039 -222043.8541 162.3681 -2556.3622 -2408.1661 921491.4634 -2556.3622 -2408.1661
ENERGY: 474 20842.9707 20372.0984 5710.2160 180.7466 -337438.4551 23189.2340 0.0000 0.0000 44733.2310 -222409.9583 162.7272 -267143.1893 -222041.2621 162.7272 -1295.5530 -2316.2732 921491.4634 -1295.5530 -2316.2732
ENERGY: 475 19674.2082 20371.7671 5712.9876 182.2512 -336604.2310 23142.3810 0.0000 0.0000 45070.2142 -222450.4218 163.9531 -267520.6360 -222039.4532 163.9531 -344.6454 -2232.2129 921491.4634 -344.6454 -2232.2129
ENERGY: 476 19235.7862 20282.0271 5715.7683 184.0125 -336100.0900 23115.8458 0.0000 0.0000 45106.0637 -222460.5864 164.0835 -267566.6501 -222053.6140 164.0835 -92.4053 -2183.0656 921491.4634 -92.4053 -2183.0656
ENERGY: 477 19704.7249 20145.9809 5718.4976 185.9230 -336101.8784 23114.2931 0.0000 0.0000 44812.3212 -222420.1377 163.0149 -267232.4589 -222044.8414 163.0149 -667.4948 -2171.8232 921491.4634 -667.4948 -2171.8232
ENERGY: 478 20493.4775 19974.7634 5721.0254 187.7262 -336537.4030 23131.2452 0.0000 0.0000 44627.0336 -222402.1317 162.3409 -267029.1653 -222047.4109 162.3409 -1807.1605 -2198.7959 921491.4634 -1807.1605 -2198.7959
ENERGY: 479 21125.3057 19793.3952 5723.3295 189.2099 -337215.5831 23156.6764 0.0000 0.0000 44802.1579 -222425.5085 162.9779 -267227.6664 -222050.5463 162.9779 -3089.8517 -2246.7921 921491.4634 -3089.8517 -2246.7921
TIMING: 480 CPU: 225.455, 0.457637/step Wall: 225.455, 0.457637/step, 0.00254243 hours remaining, 3223.917969 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 21624.0327 19623.1962 5725.3111 190.1900 -337854.6777 23181.5110 0.0000 0.0000 45051.6815 -222458.7553 163.8856 -267510.4368 -222064.6212 163.8856 -4077.7329 -2291.4895 921491.4634 -4077.7329 -2291.4895
ENERGY: 481 22092.4853 19510.0432 5727.0952 190.6351 -338199.2474 23196.7951 0.0000 0.0000 45041.3368 -222440.8566 163.8480 -267482.1934 -222052.5268 163.8480 -4466.2398 -2305.6736 921491.4634 -4466.2398 -2305.6736
ENERGY: 482 22186.3468 19466.6794 5728.4963 190.3598 -338044.5413 23192.7467 0.0000 0.0000 44865.8520 -222414.0603 163.2096 -267279.9123 -222051.4115 163.2096 -4059.3103 -2278.0618 921491.4634 -4059.3103 -2278.0618
ENERGY: 483 21553.1415 19511.5746 5729.5660 189.3227 -337426.2181 23165.8733 0.0000 0.0000 44861.8968 -222414.8432 163.1953 -267276.7400 -222048.7675 163.1953 -2964.1728 -2216.4119 921491.4634 -2964.1728 -2216.4119
ENERGY: 484 20460.8929 19631.1941 5730.2465 187.5455 -336590.8880 23126.1344 0.0000 0.0000 45003.6029 -222451.2717 163.7107 -267454.8746 -222059.8742 163.7107 -1565.2429 -2143.1852 921491.4634 -1565.2429 -2143.1852
ENERGY: 485 19688.7723 19800.2994 5730.5256 185.2458 -335902.5862 23092.8463 0.0000 0.0000 44955.5722 -222449.3246 163.5360 -267404.8968 -222045.9606 163.5360 -422.1573 -2086.8739 921491.4634 -422.1573 -2086.8739
ENERGY: 486 19602.5428 19954.8179 5729.7197 182.4662 -335612.3562 23080.3800 0.0000 0.0000 44645.9114 -222416.5182 162.4096 -267062.4296 -222044.6761 162.4096 87.3178 -2070.0985 921491.4634 87.3178 -2070.0985
ENERGY: 487 19881.0925 20072.0216 5727.4347 179.4360 -335846.4475 23091.0537 0.0000 0.0000 44503.3491 -222392.0600 161.8910 -266895.4091 -222045.2407 161.8910 -192.2347 -2106.8843 921491.4634 -192.2347 -2106.8843
ENERGY: 488 20125.2097 20156.1364 5723.5441 176.4338 -336552.5445 23118.8609 0.0000 0.0000 44827.0554 -222425.3042 163.0685 -267252.3596 -222057.1940 163.0685 -1145.7534 -2194.6682 921491.4634 -1145.7534 -2194.6682
ENERGY: 489 20526.8870 20236.4611 5718.5748 173.8639 -337540.4647 23156.7303 0.0000 0.0000 45266.1001 -222461.8474 164.6656 -267727.9475 -222045.6087 164.6656 -2511.2405 -2316.7069 921491.4634 -2511.2405 -2316.7069
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7488 20292.9023 5712.8912 171.8438 -338458.1352 23196.4870 0.0000 0.0000 45213.5626 -222459.6995 164.4745 -267673.2621 -222048.2209 164.4745 -3823.4040 -2437.4157 921491.4634 -3823.4040 -2437.4157
ENERGY: 491 22430.4638 20312.1361 5707.3795 170.5404 -338984.5785 23226.0930 0.0000 0.0000 44733.0087 -222404.9570 162.7264 -267137.9657 -222049.4640 162.7264 -4629.6937 -2524.6217 921491.4634 -4629.6937 -2524.6217
ENERGY: 492 22612.9547 20289.6811 5702.9944 170.0208 -338937.5807 23232.7198 0.0000 0.0000 44542.1948 -222387.0152 162.0323 -266929.2099 -222060.3861 162.0323 -4606.8528 -2557.4732 921491.4634 -4606.8528 -2557.4732
ENERGY: 493 21558.2189 20260.7373 5700.7779 170.3201 -338358.0624 23214.0530 0.0000 0.0000 45033.8226 -222420.1327 163.8207 -267453.9552 -222046.5901 163.8207 -3796.3823 -2540.0998 921491.4634 -3796.3823 -2540.0998
ENERGY: 494 20068.3368 20225.0260 5700.9805 171.2193 -337454.3826 23183.0789 0.0000 0.0000 45622.2471 -222483.4940 165.9612 -268105.7411 -222044.0868 165.9612 -2500.8996 -2482.1070 921491.4634 -2500.8996 -2482.1070
ENERGY: 495 19383.2464 20186.8299 5703.5926 172.5416 -336566.9876 23159.4618 0.0000 0.0000 45484.1227 -222477.1926 165.4587 -267961.3153 -222041.5564 165.4587 -1249.6840 -2407.3058 921491.4634 -1249.6840 -2407.3058
ENERGY: 496 19722.4833 20130.6469 5708.0350 174.0933 -335998.7142 23154.2629 0.0000 0.0000 44699.5269 -222409.6659 162.6046 -267109.1927 -222049.0669 162.6046 -478.8997 -2343.4751 921491.4634 -478.8997 -2343.4751
ENERGY: 497 20212.6666 20059.9172 5713.4613 175.7242 -335952.5028 23166.3539 0.0000 0.0000 44261.0287 -222363.3509 161.0095 -266624.3796 -222042.7499 161.0095 -421.0231 -2316.7929 921491.4634 -421.0231 -2316.7929
ENERGY: 498 20182.0163 19957.1211 5718.5596 177.2604 -336366.4920 23189.3578 0.0000 0.0000 44728.2534 -222413.9232 162.7091 -267142.1766 -222044.5218 162.7091 -993.4678 -2331.6473 921491.4634 -993.4678 -2331.6473
ENERGY: 499 20158.0677 19847.7305 5722.4089 178.6361 -337058.4812 23219.2397 0.0000 0.0000 45439.2645 -222493.1338 165.2956 -267932.3983 -222047.2061 165.2956 -2020.8686 -2376.3391 921491.4634 -2020.8686 -2376.3391
Info: Benchmark time: 4 CPUs 0.457381 s/step 5.29376 days/ns 3223.92 MB memory
TIMING: 500 CPU: 234.531, 0.453777/step Wall: 234.531, 0.453777/step, 0 hours remaining, 3223.917969 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 19756.6580 5724.4523 179.8271 -337741.4187 23251.1002 0.0000 0.0000 45359.0781 -222495.4093 165.0039 -267854.4874 -222061.0911 165.0039 -3197.5169 -2425.4143 921491.4634 -3197.5169 -2425.4143
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.570 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.570 MB of memory in use
====================================================
WallClock: 241.665482 CPUTime: 241.665482 Memory: 3229.570312 MB
[Partition 0][Node 0] End of program
Application 1111676 resources: utime ~949s, stime ~19s, Rss ~127104, inblocks ~66548, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.665482
CPU=241.665482
MEM=3229.570312
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 19 22:51 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 19 22:51 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 19 22:51 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 19 22:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189497 Dec 19 22:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 19 22:46 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 19 22:46 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 19 22:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 19 22:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 19 22:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 19 22:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 19 22:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 19 22:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 19 22:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 19 22:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 19 22:21 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/jenkins10861637157609095346.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}
